A0A024R5G9_HUMAN Loading...

Cathepsin F

Thiol protease which is believed to participate in intracellular degradation and turnover of proteins. Has also been implicated in tumor invasion and metastasis.

AlphaFold DB , UniProt , Accession A0A024R5G9, Species HUMAN (Homo sapiens, Human), Gene CTSF, Length 392 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	33.9	Very low	247 Å²	247	148.2 Å²	148.2	100%	1.217	78%	0.784	S	S	*	*				0	115.8	0	-73.2	174.7	-165.2	0	0	108
2	V	24.9	Very low	34.6	Very low	129 Å²	129	144.4 Å²	144.4	78%	0.782	76%	0.763	S	S	*	*			trans	-110.8	109.3	175.4	177.3	0	0	0	0	106.5	R4	V2-R4 HydrophobicContact CG1-CG 4.24Å; V2-R4 PolarHBondContact O-N 3.22Å
3	C	23.1	Very low	34.9	Very low	132 Å²	132	143 Å²	143	89%	0.892	76%	0.755	S	S	*	*			trans	-78.5	111.8	166	-95.2	0	0	0	0	108.1
4	R	28.9	Very low	35.8	Very low	233 Å²	233	135.9 Å²	135.9	88%	0.879	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-92.2	117.1	164	-74.5	-175.5	176.5	-177	-1.2	107.9	V2	V2-R4 HydrophobicContact CG1-CG 4.24Å; V2-R4 PolarHBondContact O-N 3.22Å
5	L	30.2	Very low	36.5	Very low	162 Å²	162	131 Å²	131	85%	0.848	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-88.1	135.1	163.7	-74.5	166.1	0	0	0	108.9
6	P	32	Very low	37.5	Very low	121 Å²	121	130.6 Å²	130.6	79%	0.786	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-79.8	128.6	172.7	30.4	-29	0	0	0	110.3	S8	P6-S8 PolarHBondContact O-N 2.93Å
7	V	38	Very low	37.9	Very low	134 Å²	134	127.9 Å²	127.9	81%	0.812	68%	0.676	S	S	*	*			trans	-81.5	106.7	169.1	-177.2	0	0	0	0	108.1	K9	V7-K9 HydrophobicContact CG1-CG 4.46Å
8	S	38.3	Very low	38.5	Very low	81 Å²	81	125.8 Å²	125.8	57%	0.566	67%	0.669	S	S	*	*			trans	-109.7	103	163.5	168.3	0	0	0	0	107.4	P6	P6-S8 PolarHBondContact O-N 2.93Å
9	K	42.4	Very low	38.7	Very low	184 Å²	184	123.5 Å²	123.5	80%	0.8	66%	0.656	S	S	*	*			trans	-87.6	104.1	161.8	-77.4	-172.4	177.1	-176.3	0	106.7	V7	V7-K9 HydrophobicContact CG1-CG 4.46Å
10	K	40.4	Very low	39.1	Very low	129 Å²	129	123 Å²	123	56%	0.561	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-76.3	118.3	171.2	-74	179.9	174.3	-176.3	0	108.8	P34	K10-P34 HydrophobicContact CB-CB 4.1Å; K10-P34 HydrophobicContact CD-CB 3.85Å; K10-P34 HydrophobicContact CG-CB 4.24Å
11	T	43.6	Very low	39.2	Very low	78 Å²	78	124.2 Å²	124.2	48%	0.479	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.2	127.1	168.6	-56.3	0	0	0	0	107.9	V35	T11-V35 PolarHBondContact O-N 3.12Å
12	L	42	Very low	39.6	Very low	103 Å²	103	120.8 Å²	120.8	54%	0.539	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	123.5	175.3	-90.9	124.5	0	0	0	109.8	C32 G33	L12-C32 HydrophobicContact CD2-CB 3.71Å; L12-G33 WeakPolarHBondContact CA-O 3.4Å
13	L	38.1	Very low	40.5	Very low	126 Å²	126	118.1 Å²	118.1	66%	0.66	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.8	130.7	169.7	-137.2	89	0	0	0	108.4	C32 G33 V35	L13-C32 VanDerWaalsContact O-CA 3.28Å; L13-C32 WeakPolarHBondContact O-CA 3.07Å; L13-G33 PolarHBondContact N-O 3.25Å; L13-G33 PolarHBondContact O-N 3.46Å; L13-G33 VanDerWaalsContact O-N 3.13Å; L13-V35 HydrophobicContact CB-CG2 4.29Å
14	C	48.4	Very low	41.1	Very low	43 Å²	43	121.3 Å²	121.3	29%	0.291	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.6	139.8	179.4	-66.8	0	0	0	0	111.1	F16 D31 C32	C14-F16 HydrophobicContact CB-CE2 3.99Å; C14-F16 HydrophobicContact CB-CZ 4.2Å; C14-D31 VanDerWaalsContact CA-O 3.31Å; C14-D31 WeakPolarHBondContact CA-O 3.38Å; C14-C32 HydrophobicContact CB-CB 4.18Å; C14-C32 WeakPolarHBondContact CB-SG 3.03Å; C14-C32 WeakPolarHBondContact SG-CB 3.47Å; C14-C32 CovalentContact SG-SG 2.02Å; C14-C32 PolarHBondContact SG-SG 3.17Å
15	S	46	Very low	41.7	Very low	63 Å²	63	117.2 Å²	117.2	44%	0.441	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103	144.1	171.7	63.9	0	0	0	0	111.4	K30 D31	S15-K30 PolarHBondContact O-N 3.21Å; S15-D31 PolarHBondContact N-O 3.15Å
16	F	51.5	Low	42.4	Very low	125 Å²	125	113.5 Å²	113.5	55%	0.548	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.2	139.6	178.9	-61.9	-88.1	0	0	0	109.9	C14 L27 R29	C14-F16 HydrophobicContact CB-CE2 3.99Å; C14-F16 HydrophobicContact CB-CZ 4.2Å; F16-L27 HydrophobicContact CB-CD2 4.29Å; F16-R29 HydrophobicContact CD1-CB 4.13Å; F16-R29 HydrophobicContact CE1-CB 3.83Å; F16-R29 HydrophobicContact CE1-CG 3.98Å
17	Q	45.7	Very low	42.7	Very low	85 Å²	85	113.6 Å²	113.6	40%	0.397	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.9	133.7	170.5	-171.8	173	0.4	0	0	109	L28 K30	Q17-L28 PolarHBondContact N-O 3.26Å; Q17-L28 PolarHBondContact O-N 3.41Å; Q17-K30 HydrophobicContact CB-CD 4.38Å
18	V	47.9	Very low	43	Very low	90 Å²	90	111.4 Å²	111.4	55%	0.545	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	120.9	172.9	-176.2	0	0	0	0	107.6	L27	V18-L27 HydrophobicContact CG2-CD2 3.92Å
19	L	43.1	Very low	43.5	Very low	81 Å²	81	115.6 Å²	115.6	42%	0.424	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.5	133.7	171.7	-94.1	152.8	0	0	0	108.5	L28	L19-L28 HydrophobicContact CD1-CD1 3.55Å
20	D	46.6	Very low	44	Very low	113 Å²	113	112.9 Å²	112.9	60%	0.604	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107	101	-179.9	-123.5	4.6	0	0	0	108.7	H25	D20-H25 IonicContact OD1-CE1 3.47Å; D20-H25 PolarHBondContact OD1-CE1 3.09Å; D20-H25 VanDerWaalsContact OD1-CE1 3.24Å; D20-H25 IonicContact OD1-ND1 3.98Å; D20-H25 PolarHBondContact OD1-ND1 3.2Å; D20-H25 IonicContact OD2-CE1 3.06Å
21	E	41.4	Very low	44.4	Very low	150 Å²	150	112.4 Å²	112.4	70%	0.701	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.5	125.9	167.9	-75	-170.2	171	0	0	109.2	G23 R24	E21-G23 VanDerWaalsContact C-N 3.32Å; E21-G23 PolarHBondContact O-N 2.88Å; E21-R24 PolarHBondContact O-N 2.81Å
22	L	39	Very low	44.7	Very low	174 Å²	174	110.8 Å²	110.8	91%	0.911	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.4	40.8	169.8	-61.7	166.5	0	0	0	114.9	R24	L22-R24 VanDerWaalsContact C-N 3.29Å; L22-R24 PolarHBondContact O-N 3.01Å
23	G	43.5	Very low	45	Very low	73 Å²	73	107.5 Å²	107.5	75%	0.753	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.6	18.2	168.6	0	0	0	0	0	115.4	E21	E21-G23 VanDerWaalsContact C-N 3.32Å; E21-G23 PolarHBondContact O-N 2.88Å
24	R	35	Very low	45.3	Very low	199 Å²	199	105.3 Å²	105.3	75%	0.751	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.5	122.9	168.2	-79.5	-174.1	-83.2	-166.4	-5	109.9	E21 L22 V26	E21-R24 PolarHBondContact O-N 2.81Å; L22-R24 VanDerWaalsContact C-N 3.29Å; L22-R24 PolarHBondContact O-N 3.01Å; R24-V26 PolarHBondContact O-N 3.39Å
25	H	43.3	Very low	45.2	Very low	148 Å²	148	106.9 Å²	106.9	69%	0.685	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.9	116.1	174.7	-58.9	-49.1	0	0	0	110	D20	D20-H25 IonicContact OD1-CE1 3.47Å; D20-H25 PolarHBondContact OD1-CE1 3.09Å; D20-H25 VanDerWaalsContact OD1-CE1 3.24Å; D20-H25 IonicContact OD1-ND1 3.98Å; D20-H25 PolarHBondContact OD1-ND1 3.2Å; D20-H25 IonicContact OD2-CE1 3.06Å
26	V	43.5	Very low	45	Very low	83 Å²	83	109.9 Å²	109.9	50%	0.503	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110	126.1	174.8	-177.1	0	0	0	0	108.8	R24 L28	R24-V26 PolarHBondContact O-N 3.39Å; V26-L28 HydrophobicContact CG1-CG 4.47Å
27	L	39.6	Very low	44.6	Very low	124 Å²	124	109.1 Å²	109.1	65%	0.649	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.3	112.5	176.1	-78.1	165.3	0	0	0	109.8	F16 V18	F16-L27 HydrophobicContact CB-CD2 4.29Å; V18-L27 HydrophobicContact CG2-CD2 3.92Å
28	L	43.8	Very low	44	Very low	88 Å²	88	114.9 Å²	114.9	46%	0.461	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	118.6	174.6	-74	160.3	0	0	0	109.7	Q17 L19 V26 K30	Q17-L28 PolarHBondContact N-O 3.26Å; Q17-L28 PolarHBondContact O-N 3.41Å; L19-L28 HydrophobicContact CD1-CD1 3.55Å; V26-L28 HydrophobicContact CG1-CG 4.47Å; L28-K30 PolarHBondContact O-N 2.81Å
29	R	49.6	Very low	43.4	Very low	169 Å²	169	117 Å²	117	64%	0.638	62%	0.616	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.4	117.1	173.7	-175.6	-179.1	-176.3	179.4	1.4	108.3	F16 C32	F16-R29 HydrophobicContact CD1-CB 4.13Å; F16-R29 HydrophobicContact CE1-CB 3.83Å; F16-R29 HydrophobicContact CE1-CG 3.98Å; R29-C32 VanDerWaalsContact CZ-SG 3.53Å; R29-C32 PolarHBondContact NE-SG 3.12Å; R29-C32 PolarHBondContact NH2-SG 3.05Å
30	K	51.7	Low	42.8	Very low	126 Å²	126	119 Å²	119	55%	0.548	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.4	-59	-177.7	-89.9	-168	164.2	-176.6	0	113.2	S15 Q17 L28	S15-K30 PolarHBondContact O-N 3.21Å; Q17-K30 HydrophobicContact CB-CD 4.38Å; L28-K30 PolarHBondContact O-N 2.81Å
31	D	50	Low	42.1	Very low	120 Å²	120	117.3 Å²	117.3	64%	0.642	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-143.7	143	-175.1	-69.2	-58.2	0	0	0	112	C14 S15	C14-D31 VanDerWaalsContact CA-O 3.31Å; C14-D31 WeakPolarHBondContact CA-O 3.38Å; S15-D31 PolarHBondContact N-O 3.15Å
32	C	49.8	Very low	41.5	Very low	43 Å²	43	115.3 Å²	115.3	29%	0.291	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.5	125.8	172.1	-58	0	0	0	0	111	L12 L13 C14 R29	L12-C32 HydrophobicContact CD2-CB 3.71Å; L13-C32 VanDerWaalsContact O-CA 3.28Å; L13-C32 WeakPolarHBondContact O-CA 3.07Å; C14-C32 HydrophobicContact CB-CB 4.18Å; C14-C32 WeakPolarHBondContact CB-SG 3.03Å; C14-C32 WeakPolarHBondContact SG-CB 3.47Å; C14-C32 CovalentContact SG-SG 2.02Å; C14-C32 PolarHBondContact SG-SG 3.17Å; R29-C32 VanDerWaalsContact CZ-SG 3.53Å; R29-C32 PolarHBondContact NE-SG 3.12Å; R29-C32 PolarHBondContact NH2-SG 3.05Å
33	G	46.8	Very low	41	Very low	34 Å²	34	110.8 Å²	110.8	35%	0.351	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.1	149.6	178.8	0	0	0	0	0	112.2	L12 L13	L12-G33 WeakPolarHBondContact CA-O 3.4Å; L13-G33 PolarHBondContact N-O 3.25Å; L13-G33 PolarHBondContact O-N 3.46Å; L13-G33 VanDerWaalsContact O-N 3.13Å
34	P	44.2	Very low	40.2	Very low	81 Å²	81	115.9 Å²	115.9	53%	0.526	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.9	141.9	174.2	30.3	-32.2	0	0	0	111.4	K10	K10-P34 HydrophobicContact CB-CB 4.1Å; K10-P34 HydrophobicContact CD-CB 3.85Å; K10-P34 HydrophobicContact CG-CB 4.24Å
35	V	46.8	Very low	40	Very low	75 Å²	75	112.4 Å²	112.4	46%	0.455	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124	129.3	173.5	-173	0	0	0	0	109.4	T11 L13	T11-V35 PolarHBondContact O-N 3.12Å; L13-V35 HydrophobicContact CB-CG2 4.29Å
36	D	41.3	Very low	39.3	Very low	127 Å²	127	114 Å²	114	68%	0.679	66%	0.66	S	S	*	*			trans	-87.5	117.8	178.7	-82.6	-31.2	0	0	0	111.1
37	T	43.6	Very low	38.5	Very low	109 Å²	109	115.4 Å²	115.4	67%	0.669	67%	0.674	S	S	*	*			trans	-97.3	103.7	172.4	53.4	0	0	0	0	110.1
38	K	33.8	Very low	37.9	Very low	206 Å²	206	113.5 Å²	113.5	90%	0.896	68%	0.676	S	S	*	*			trans	-93.8	126.8	166.1	-82.1	-175.7	176.4	177	0	109.9
39	V	34.9	Very low	37	Very low	134 Å²	134	118.4 Å²	118.4	81%	0.812	69%	0.694	S	S	*	*			trans	-118.3	131.2	166.7	-178.8	0	0	0	0	108.1
40	P	30.9	Very low	35.9	Very low	124 Å²	124	116.2 Å²	116.2	81%	0.805	70%	0.7	S	S	*	*			trans	-90.3	121.9	176.7	31.6	-26.5	0	0	0	112.5
41	G	31	Very low	34.8	Very low	77 Å²	77	119.6 Å²	119.6	79%	0.794	72%	0.717	S	S	*	*			trans	63.1	114.7	141.5	0	0	0	0	0	121.1
42	A	29.1	Very low	33.6	Very low	107 Å²	107	117.9 Å²	117.9	88%	0.884	73%	0.728	S	S	*	*			trans	-171.6	123.7	132.9	0	0	0	0	0	112.4
43	G	27.9	Very low	32.4	Very low	79 Å²	79	121.7 Å²	121.7	81%	0.814	76%	0.755	S	S	*	*			trans	28.9	119.6	150.7	0	0	0	0	0	123.2
44	E	27.8	Very low	31.5	Very low	180 Å²	180	124.2 Å²	124.2	84%	0.841	77%	0.773	S	S	*	*			trans	-66	158.9	153.7	-70.5	-176.6	154.7	0	0	112.2
45	P	31.4	Very low	30.5	Very low	127 Å²	127	128.6 Å²	128.6	83%	0.825	79%	0.788	S	S	*	*				-134.7	131.3	106.7	34.3	-22.2	0	0	0	115.2
46	K	27.8	Very low	29.6	Very low	180 Å²	180	133.3 Å²	133.3	78%	0.783	81%	0.809	S	S	*	*			trans	18	113.4	143.6	-62.5	-177.4	179.2	179.3	0	120.3
47	S	26.8	Very low	28.8	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	81%	0.808	S	S	*	*			trans	31.1	130.7	133.4	71	0	0	0	0	121.1
48	A	26	Very low	28	Very low	83 Å²	83	131.4 Å²	131.4	69%	0.686	81%	0.81	S	S	*	*				-173.4	154.2	103.6	0	0	0	0	0	112.7
49	F	25.7	Very low	27.7	Very low	192 Å²	192	129.6 Å²	129.6	84%	0.842	81%	0.809	S	S	*	*			trans	90.7	86.8	162.3	-71	-81.5	0	0	0	121
50	T	27.7	Very low	27.3	Very low	123 Å²	123	127.9 Å²	127.9	76%	0.755	80%	0.803	S	S	*	*				31.1	135.5	122.9	11.3	0	0	0	0	123
51	Q	27.1	Very low	27.2	Very low	197 Å²	197	130.9 Å²	130.9	92%	0.921	81%	0.807	S	S	*	*			trans	-39.9	142.4	168.6	-71	164	-16	0	0	116.9
52	G	25.1	Very low	27.1	Very low	84 Å²	84	134.4 Å²	134.4	87%	0.866	81%	0.807	S	S	*	*			trans	-157.4	89.6	154.9	0	0	0	0	0	109.1
53	S	25.3	Very low	27	Very low	123 Å²	123	138.3 Å²	138.3	86%	0.86	81%	0.807	S	S	*	*			trans	-96.5	126.4	169.5	-172.3	0	0	0	0	108
54	A	26.4	Very low	27.2	Very low	87 Å²	87	139.7 Å²	139.7	72%	0.719	80%	0.801	S	S	*	*				160.2	145	127.2	0	0	0	0	0	113.4
55	M	24.9	Very low	27.4	Very low	172 Å²	172	137.3 Å²	137.3	85%	0.847	80%	0.795	S	S	*	*			trans	73.6	107.4	156.1	-61.2	-148.8	-174.9	0	0	119.7
56	I	27.7	Very low	27.4	Very low	175 Å²	175	137.4 Å²	137.4	90%	0.897	79%	0.788	S	S	*	*			trans	-139.6	109.2	130	-57.2	-175.2	0	0	0	108.6
57	S	24.8	Very low	28	Very low	94 Å²	94	139 Å²	139	66%	0.657	79%	0.789	S	S	*	*			trans	-94.3	142.5	162.9	59.4	0	0	0	0	110
58	S	25.5	Very low	28.8	Very low	102 Å²	102	137.2 Å²	137.2	71%	0.713	77%	0.771	S	S	*	*			trans	61	119.4	155.2	65.4	0	0	0	0	118.9
59	L	27.5	Very low	29.3	Very low	168 Å²	168	140.1 Å²	140.1	88%	0.88	77%	0.77	S	S	*	*				-167.8	111.7	112.1	-93.8	161.2	0	0	0	108.8
60	S	26.9	Very low	30.6	Very low	98 Å²	98	135.1 Å²	135.1	69%	0.685	76%	0.755	S	S	*	*			trans	-105.1	128.6	169.8	171.4	0	0	0	0	107.9
61	Q	28.1	Very low	31.5	Very low	187 Å²	187	131.1 Å²	131.1	87%	0.874	73%	0.728	S	S	*	*			trans	-134.1	122.4	159.2	-77	-171.6	-11	0	0	109
62	N	29.2	Very low	32.7	Very low	150 Å²	150	125.4 Å²	125.4	80%	0.802	71%	0.709	S	S	*	*			trans	-81	143	-175.4	-73.7	-33.1	0	0	0	112.5
63	H	27.8	Very low	33.9	Very low	190 Å²	190	124.2 Å²	124.2	88%	0.88	69%	0.687	S	S	*	*			trans	-146.3	146.7	144.8	-141.8	47.5	0	0	0	110.1
64	P	31.5	Very low	35.2	Very low	108 Å²	108	118.4 Å²	118.4	70%	0.701	65%	0.647	S	S	*	*			trans	-94.5	133.9	-151.5	35.5	-31.7	0	0	0	112.7
65	D	31.6	Very low	36.5	Very low	130 Å²	130	117.4 Å²	117.4	70%	0.695	63%	0.629	S	S	*	*			trans	-142.8	116.1	154.5	-140.8	-12.7	0	0	0	109.3	R67	D65-R67 PolarHBondContact O-N 2.97Å
66	N	31.5	Very low	37.8	Very low	129 Å²	129	113.2 Å²	113.2	69%	0.69	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	35.5	-155.8	-155.9	4.4	0	0	0	114.2
67	R	41.8	Very low	38.8	Very low	214 Å²	214	106.8 Å²	106.8	81%	0.808	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	-6.4	176.3	-77.9	-171.9	-91.8	-140.9	-4.3	114.3	D65	D65-R67 PolarHBondContact O-N 2.97Å
68	N	41.8	Very low	39.9	Very low	76 Å²	76	105 Å²	105	41%	0.406	57%	0.566	S	S	.	*	S	Bend	trans	-101.5	-8.9	-179.1	-77.9	-4	0	0	0	114.5	T70 F71 S72 Q138	N68-T70 VanDerWaalsContact C-N 3.27Å; N68-T70 PolarHBondContact O-N 2.95Å; N68-F71 PolarHBondContact O-N 3.17Å; N68-S72 PolarHBondContact O-N 2.85Å; N68-Q138 PolarHBondContact ND2-OE1 3.26Å
69	E	38.4	Very low	40.9	Very low	144 Å²	144	106.3 Å²	106.3	67%	0.673	57%	0.566	S	S	*	*	H	α-helix	trans	-63.1	-31.9	-177.9	-69.4	-164	160.2	0	0	112.9	F71 S73	E69-F71 PolarHBondContact O-N 3.49Å; E69-S73 PolarHBondContact O-N 3.18Å
70	T	51.3	Low	41.5	Very low	86 Å²	86	105 Å²	105	53%	0.528	56%	0.555	S	S	.	*	H	α-helix	trans	-68.7	-34.3	-179.5	42.6	0	0	0	0	113	N68 K90	N68-T70 VanDerWaalsContact C-N 3.27Å; N68-T70 PolarHBondContact O-N 2.95Å; T70-K90 VanDerWaalsContact O-CE 3.3Å; T70-K90 WeakPolarHBondContact O-CE 3.45Å; T70-K90 PolarHBondContact O-NZ 2.96Å
71	F	47.9	Very low	42.1	Very low	40 Å²	40	107.7 Å²	107.7	18%	0.175	56%	0.561	C	S	.	*	H	α-helix	trans	-84.3	-39.9	-178.9	-100	-87.2	0	0	0	113.4	N68 E69 S73 V74 I75 I94 M123 V141	N68-F71 PolarHBondContact O-N 3.17Å; E69-F71 PolarHBondContact O-N 3.49Å; F71-S73 PolarHBondContact O-N 2.8Å; F71-V74 WeakPolarHBondContact O-CB 3.2Å; F71-V74 PolarHBondContact O-N 3.36Å; F71-I75 PolarHBondContact O-N 3.1Å; F71-I94 HydrophobicContact CE2-CD1 4.46Å; F71-I94 HydrophobicContact CE2-CG2 3.99Å; F71-I94 HydrophobicContact CZ-CD1 4.4Å; F71-I94 HydrophobicContact CZ-CG2 4Å; F71-M123 HydrophobicContact CE1-SD 3.77Å; F71-M123 HydrophobicContact CZ-SD 3.67Å; F71-V141 HydrophobicContact CE1-CG2 4.44Å; F71-V141 HydrophobicContact CE2-CG2 3.57Å; F71-V141 HydrophobicContact CZ-CG2 3.33Å
72	S	51.2	Low	43.2	Very low	76 Å²	76	104.1 Å²	104.1	53%	0.531	56%	0.555	S	S	.	*	H	α-helix	trans	-57.5	-39.2	175.3	-175.6	0	0	0	0	111.5	N68 V74 I75	N68-S72 PolarHBondContact O-N 2.85Å; S72-V74 VanDerWaalsContact C-N 3.26Å; S72-V74 PolarHBondContact O-N 3.16Å; S72-I75 VanDerWaalsContact O-CB 3.3Å; S72-I75 WeakPolarHBondContact O-CB 3.4Å; S72-I75 PolarHBondContact O-N 3.17Å; S72-I75 VanDerWaalsContact O-N 3.09Å
73	S	51.2	Low	44.3	Very low	59 Å²	59	101.5 Å²	101.5	41%	0.413	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-25.2	173.9	160.8	0	0	0	0	114	E69 F71 I75 L77 K90	E69-S73 PolarHBondContact O-N 3.18Å; F71-S73 PolarHBondContact O-N 2.8Å; S73-I75 VanDerWaalsContact C-N 3.33Å; S73-L77 WeakPolarHBondContact O-CD1 3.49Å; S73-L77 WeakPolarHBondContact O-CG 3.28Å; S73-K90 PolarHBondContact OG-NZ 3.47Å
74	V	53	Low	45.7	Very low	2 Å²	2	94 Å²	94	1%	0.012	51%	0.509	C	S	.	.	H	α-helix	trans	-71.8	-33.6	175.5	-178.7	0	0	0	0	110.2	F71 S72 S76 L77 L78 L87 K90 M91 I94	F71-V74 WeakPolarHBondContact O-CB 3.2Å; F71-V74 PolarHBondContact O-N 3.36Å; S72-V74 VanDerWaalsContact C-N 3.26Å; S72-V74 PolarHBondContact O-N 3.16Å; V74-S76 PolarHBondContact O-N 2.85Å; V74-L77 PolarHBondContact O-N 3.3Å; V74-L77 VanDerWaalsContact O-N 3.1Å; V74-L78 HydrophobicContact CG1-CD1 3.98Å; V74-L78 HydrophobicContact CG1-CG 4.31Å; V74-L78 PolarHBondContact O-N 3Å; V74-L87 HydrophobicContact CG1-CD1 4.06Å; V74-K90 HydrophobicContact CG2-CD 3.88Å; V74-M91 HydrophobicContact CG1-CE 3.48Å; V74-M91 VanDerWaalsContact CG1-CE 3.48Å; V74-M91 HydrophobicContact CG2-CE 4.47Å; V74-I94 HydrophobicContact CG2-CD1 3.88Å
75	I	52.8	Low	46.9	Very low	65 Å²	65	97.7 Å²	97.7	33%	0.333	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-42.8	-177.7	-59.7	-179.3	0	0	0	111	F71 S72 S73 L77 L78	F71-I75 PolarHBondContact O-N 3.1Å; S72-I75 VanDerWaalsContact O-CB 3.3Å; S72-I75 WeakPolarHBondContact O-CB 3.4Å; S72-I75 PolarHBondContact O-N 3.17Å; S72-I75 VanDerWaalsContact O-N 3.09Å; S73-I75 VanDerWaalsContact C-N 3.33Å; I75-L77 VanDerWaalsContact C-N 3.27Å; I75-L77 PolarHBondContact O-N 3.41Å; I75-L78 PolarHBondContact O-N 3.35Å
76	S	52.3	Low	48.8	Very low	85 Å²	85	96.6 Å²	96.6	59%	0.594	51%	0.511	S	S	*	.	H	α-helix	trans	-63.6	-30.4	175	-67.8	0	0	0	0	113.4	V74	V74-S76 PolarHBondContact O-N 2.85Å
77	L	48.5	Very low	50.9	Low	39 Å²	39	91.2 Å²	91.2	20%	0.204	48%	0.482	C	S	.	.	H	α-helix	trans	-83	-15.5	-175.8	-62.7	164.5	0	0	0	113.6	S73 V74 I75 S84 K90	S73-L77 WeakPolarHBondContact O-CD1 3.49Å; S73-L77 WeakPolarHBondContact O-CG 3.28Å; V74-L77 PolarHBondContact O-N 3.3Å; V74-L77 VanDerWaalsContact O-N 3.1Å; I75-L77 VanDerWaalsContact C-N 3.27Å; I75-L77 PolarHBondContact O-N 3.41Å; L77-S84 WeakPolarHBondContact CD2-OG 3.44Å; L77-K90 HydrophobicContact CD1-CD 3.9Å
78	L	48.3	Very low	52.9	Low	56 Å²	56	85.2 Å²	85.2	29%	0.293	47%	0.471	S	S	.	.	H	α-helix	trans	-93.5	-16.5	179	-70.2	173.5	0	0	0	113.4	V74 I75 L83 L87 Q127	V74-L78 HydrophobicContact CG1-CD1 3.98Å; V74-L78 HydrophobicContact CG1-CG 4.31Å; V74-L78 PolarHBondContact O-N 3Å; I75-L78 PolarHBondContact O-N 3.35Å; L78-L83 HydrophobicContact CD2-CD1 4.05Å; L78-L87 HydrophobicContact CD2-CD1 4.32Å; L78-L87 HydrophobicContact CD2-CD2 3.57Å; L78-Q127 HydrophobicContact CD1-CG 4.24Å
79	N	47	Very low	55	Low	131 Å²	131	86.7 Å²	86.7	70%	0.701	48%	0.482	S	S	*	.	S	Bend	trans	-98.5	-6.3	-177.9	-73	-22.2	0	0	0	113.7
80	E	40.3	Very low	57.4	Low	141 Å²	141	81.8 Å²	81.8	66%	0.659	46%	0.459	S	S	*	.	S	Bend	trans	-101.8	122.6	173.9	-67.8	-74.1	144.4	0	0	108.4	P82 L83	E80-P82 CarbonylContact O-C 3.36Å; E80-L83 PolarHBondContact O-N 3.14Å
81	D	39.5	Very low	59.3	Low	153 Å²	153	78 Å²	78	82%	0.818	44%	0.435	S	S	*	.	S	Bend	trans	-103.6	125	167.8	-151.9	21.9	0	0	0	108	L83	D81-L83 PolarHBondContact OD1-N 3.37Å
82	P	51.3	Low	61.5	Low	113 Å²	113	78.1 Å²	78.1	73%	0.734	44%	0.444	S	S	*	.	S	Bend	cis	-78.1	139.5	12.7	-10.9	28.6	0	0	0	114	E80 S84	E80-P82 CarbonylContact O-C 3.36Å; P82-S84 PolarHBondContact O-N 3.31Å
83	L	50.4	Low	63.6	Low	95 Å²	95	77.7 Å²	77.7	50%	0.497	44%	0.441	S	S	.	.			trans	-39.7	109.8	166.2	-162.3	79	0	0	0	109.8	L78 E80 D81 Q85 L87	L78-L83 HydrophobicContact CD2-CD1 4.05Å; E80-L83 PolarHBondContact O-N 3.14Å; D81-L83 PolarHBondContact OD1-N 3.37Å; L83-Q85 PolarHBondContact O-N 3.41Å; L83-L87 HydrophobicContact CD1-CD2 3.49Å; L83-L87 VanDerWaalsContact CD1-CD2 3.49Å; L83-L87 HydrophobicContact CD2-CD2 3.9Å; L83-L87 HydrophobicContact CG-CB 4.5Å; L83-L87 HydrophobicContact CG-CD2 3.75Å
84	S	57.8	Low	65.7	Low	31 Å²	31	75.7 Å²	75.7	22%	0.217	43%	0.425	C	S	.	.			trans	-52.4	140.2	-174.7	66.5	0	0	0	0	111.2	L77 P82 D86 L87	L77-S84 WeakPolarHBondContact CD2-OG 3.44Å; P82-S84 PolarHBondContact O-N 3.31Å; S84-D86 PolarHBondContact O-N 3.29Å; S84-L87 PolarHBondContact O-N 2.88Å; S84-L87 VanDerWaalsContact O-N 3.13Å
85	Q	56.8	Low	67.8	Low	187 Å²	187	76.5 Å²	76.5	87%	0.874	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-11.9	178.9	-68.3	-166.3	-12.4	0	0	113.5	L83	L83-Q85 PolarHBondContact O-N 3.41Å
86	D	70.7	Confident	69.9	Low	106 Å²	106	80.2 Å²	80.2	57%	0.567	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.9	-178.4	-64.9	-30.9	0	0	0	114.4	S84 V89 K90	S84-D86 PolarHBondContact O-N 3.29Å; D86-V89 PolarHBondContact O-N 3.48Å; D86-K90 WeakPolarHBondContact O-CB 3.32Å; D86-K90 PolarHBondContact O-N 2.83Å
87	L	76.8	Confident	72.1	Confident	16 Å²	16	80.3 Å²	80.3	8%	0.084	44%	0.436	C	S	.	.	H	α-helix	trans	-62	-44.4	-175.9	-174.9	70	0	0	0	113.5	V74 L78 L83 S84 V89 K90 M91	V74-L87 HydrophobicContact CG1-CD1 4.06Å; L78-L87 HydrophobicContact CD2-CD1 4.32Å; L78-L87 HydrophobicContact CD2-CD2 3.57Å; L83-L87 HydrophobicContact CD1-CD2 3.49Å; L83-L87 VanDerWaalsContact CD1-CD2 3.49Å; L83-L87 HydrophobicContact CD2-CD2 3.9Å; L83-L87 HydrophobicContact CG-CB 4.5Å; L83-L87 HydrophobicContact CG-CD2 3.75Å; S84-L87 PolarHBondContact O-N 2.88Å; S84-L87 VanDerWaalsContact O-N 3.13Å; L87-V89 PolarHBondContact O-N 2.8Å; L87-K90 PolarHBondContact O-N 3.22Å; L87-M91 HydrophobicContact CD1-CE 3.87Å; L87-M91 HydrophobicContact CD1-CG 4.27Å; L87-M91 HydrophobicContact CG-CG 4.39Å; L87-M91 WeakPolarHBondContact O-CB 3.45Å; L87-M91 WeakPolarHBondContact O-CG 2.84Å; L87-M91 PolarHBondContact O-N 3.18Å
88	P	83.9	Confident	74.4	Confident	88 Å²	88	78.6 Å²	78.6	57%	0.571	43%	0.427	S	S	*	.	H	α-helix	trans	-61.8	-41.6	176.9	-23.2	35.2	0	0	0	112.7	M91 A92	P88-M91 PolarHBondContact O-N 3.04Å; P88-A92 WeakPolarHBondContact O-CB 3.41Å; P88-A92 PolarHBondContact O-N 2.94Å
89	V	86.1	Confident	76.8	Confident	107 Å²	107	77.6 Å²	77.6	65%	0.648	42%	0.424	S	S	*	.	H	α-helix	trans	-64.9	-45.1	178.5	177.6	0	0	0	0	110.4	D86 L87 M91 A92 S93	D86-V89 PolarHBondContact O-N 3.48Å; L87-V89 PolarHBondContact O-N 2.8Å; V89-M91 PolarHBondContact O-N 2.81Å; V89-A92 PolarHBondContact O-N 3.02Å; V89-S93 PolarHBondContact O-N 2.83Å
90	K	88.9	Confident	79.2	Confident	41 Å²	41	76.9 Å²	76.9	18%	0.178	42%	0.418	C	S	.	.	H	α-helix	trans	-62	-44.8	177.4	-173	173	-177.2	-174.2	0	111.9	T70 S73 V74 L77 D86 L87 S93 I94	T70-K90 VanDerWaalsContact O-CE 3.3Å; T70-K90 WeakPolarHBondContact O-CE 3.45Å; T70-K90 PolarHBondContact O-NZ 2.96Å; S73-K90 PolarHBondContact OG-NZ 3.47Å; V74-K90 HydrophobicContact CG2-CD 3.88Å; L77-K90 HydrophobicContact CD1-CD 3.9Å; D86-K90 WeakPolarHBondContact O-CB 3.32Å; D86-K90 PolarHBondContact O-N 2.83Å; L87-K90 PolarHBondContact O-N 3.22Å; K90-S93 WeakPolarHBondContact O-CB 3.22Å; K90-S93 PolarHBondContact O-N 2.59Å; K90-I94 HydrophobicContact CG-CD1 4.16Å; K90-I94 WeakPolarHBondContact O-CG1 3.33Å; K90-I94 PolarHBondContact O-N 3.04Å
91	M	91.3	Very high	81.9	Confident	6 Å²	6	74.9 Å²	74.9	3%	0.03	42%	0.416	C	S	.	.	H	α-helix	trans	-64.7	-39.7	178.1	-75.3	-63	171.7	0	0	112.6	V74 L87 P88 V89 S93 I94 F95 V120 M123	V74-M91 HydrophobicContact CG1-CE 3.48Å; V74-M91 VanDerWaalsContact CG1-CE 3.48Å; V74-M91 HydrophobicContact CG2-CE 4.47Å; L87-M91 HydrophobicContact CD1-CE 3.87Å; L87-M91 HydrophobicContact CD1-CG 4.27Å; L87-M91 HydrophobicContact CG-CG 4.39Å; L87-M91 WeakPolarHBondContact O-CB 3.45Å; L87-M91 WeakPolarHBondContact O-CG 2.84Å; L87-M91 PolarHBondContact O-N 3.18Å; P88-M91 PolarHBondContact O-N 3.04Å; V89-M91 PolarHBondContact O-N 2.81Å; M91-S93 VanDerWaalsContact C-N 3.29Å; M91-S93 PolarHBondContact O-N 3.45Å; M91-I94 PolarHBondContact O-N 3.39Å; M91-I94 HydrophobicContact SD-CD1 4.42Å; M91-F95 WeakPolarHBondContact O-CB 3.23Å; M91-F95 PolarHBondContact O-N 3.41Å; M91-V120 HydrophobicContact CB-CG2 3.82Å; M91-V120 HydrophobicContact CG-CG2 4.11Å; M91-M123 HydrophobicContact CE-CB 4.26Å; M91-M123 HydrophobicContact SD-CB 4.37Å; M91-M123 HydrophobicContact SD-CG 4.36Å
92	A	93.3	Very high	84.6	Confident	44 Å²	44	69.6 Å²	69.6	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-60.9	-39.4	173.9	0	0	0	0	0	111.8	P88 V89 F95 K96	P88-A92 WeakPolarHBondContact O-CB 3.41Å; P88-A92 PolarHBondContact O-N 2.94Å; V89-A92 PolarHBondContact O-N 3.02Å; A92-F95 PolarHBondContact O-N 3.06Å; A92-K96 WeakPolarHBondContact O-CB 3.21Å; A92-K96 PolarHBondContact O-N 3.41Å
93	S	94.8	Very high	86.7	Confident	67 Å²	67	70.9 Å²	70.9	47%	0.469	39%	0.385	S	S	.	.	H	α-helix	trans	-64.7	-46.4	175	-174.6	0	0	0	0	112.3	V89 K90 M91 F95 K96 N97	V89-S93 PolarHBondContact O-N 2.83Å; K90-S93 WeakPolarHBondContact O-CB 3.22Å; K90-S93 PolarHBondContact O-N 2.59Å; M91-S93 VanDerWaalsContact C-N 3.29Å; M91-S93 PolarHBondContact O-N 3.45Å; S93-F95 VanDerWaalsContact C-N 3.33Å; S93-F95 PolarHBondContact O-N 2.82Å; S93-K96 WeakPolarHBondContact O-CB 3.48Å; S93-K96 PolarHBondContact O-N 3.06Å; S93-N97 PolarHBondContact O-N 3.16Å; S93-N97 VanDerWaalsContact O-N 3.09Å
94	I	95.9	Very high	88.9	Confident	17 Å²	17	69.6 Å²	69.6	9%	0.087	37%	0.374	C	S	.	.	H	α-helix	trans	-62.4	-42.2	176.6	-62.9	169	0	0	0	110.6	F71 V74 K90 M91 N97 F98 F119 V141	F71-I94 HydrophobicContact CE2-CD1 4.46Å; F71-I94 HydrophobicContact CE2-CG2 3.99Å; F71-I94 HydrophobicContact CZ-CD1 4.4Å; F71-I94 HydrophobicContact CZ-CG2 4Å; V74-I94 HydrophobicContact CG2-CD1 3.88Å; K90-I94 HydrophobicContact CG-CD1 4.16Å; K90-I94 WeakPolarHBondContact O-CG1 3.33Å; K90-I94 PolarHBondContact O-N 3.04Å; M91-I94 PolarHBondContact O-N 3.39Å; M91-I94 HydrophobicContact SD-CD1 4.42Å; I94-N97 WeakPolarHBondContact O-CB 3.36Å; I94-N97 PolarHBondContact O-N 3.12Å; I94-F98 PolarHBondContact O-N 2.63Å; I94-F119 HydrophobicContact CB-CE1 4.45Å; I94-F119 HydrophobicContact CG2-CE1 3.95Å; I94-F119 HydrophobicContact CG2-CZ 3.76Å; I94-V141 HydrophobicContact CG2-CG2 4.07Å
95	F	97.6	Very high	90.8	Very high	19 Å²	19	73.9 Å²	73.9	8%	0.083	40%	0.399	C	S	.	.	H	α-helix	trans	-63.5	-41.3	177.1	-178.3	-112.4	0	0	0	112.1	M91 A92 S93 N97 F98 V99 Y106 R115 L116 F119 D146	M91-F95 WeakPolarHBondContact O-CB 3.23Å; M91-F95 PolarHBondContact O-N 3.41Å; A92-F95 PolarHBondContact O-N 3.06Å; S93-F95 VanDerWaalsContact C-N 3.33Å; S93-F95 PolarHBondContact O-N 2.82Å; F95-N97 VanDerWaalsContact C-N 3.29Å; F95-N97 PolarHBondContact O-N 3.18Å; F95-F98 AromaticContact CD2-CD1 3.82Å; F95-F98 HydrophobicContact CD2-CD1 3.82Å; F95-F98 HydrophobicContact CD2-CE1 4.48Å; F95-F98 AromaticContact CE2-CD1 3.83Å; F95-F98 HydrophobicContact CE2-CD1 3.83Å; F95-F98 HydrophobicContact CE2-CE1 4.09Å; F95-F98 WeakPolarHBondContact O-CB 2.96Å; F95-F98 PolarHBondContact O-N 2.04Å; F95-F98 VanDerWaalsContact O-N 3.14Å; F95-V99 HydrophobicContact CD1-CG2 4.23Å; F95-V99 HydrophobicContact CD2-CG2 4.5Å; F95-V99 HydrophobicContact CE1-CG2 3.88Å; F95-V99 HydrophobicContact CE2-CG2 4.17Å; F95-V99 HydrophobicContact CZ-CG2 3.86Å; F95-V99 WeakPolarHBondContact O-CG2 3.38Å; F95-V99 PolarHBondContact O-N 3.31Å; F95-Y106 HydrophobicContact CE1-CE2 4.18Å; F95-Y106 AromaticContact CZ-CE2 3.62Å; F95-Y106 HydrophobicContact CZ-CE2 3.62Å; F95-Y106 AromaticContact CZ-CZ 3.82Å; F95-Y106 WeakPolarHBondContact CZ-OH 3.3Å; F95-R115 HydrophobicContact CZ-CB 4.04Å; F95-L116 HydrophobicContact CB-CD1 3.45Å; F95-L116 VanDerWaalsContact CB-CD1 3.45Å; F95-L116 HydrophobicContact CD1-CB 3.87Å; F95-L116 HydrophobicContact CD1-CD1 3.69Å; F95-L116 HydrophobicContact CD1-CG 4.25Å; F95-L116 HydrophobicContact CD2-CD1 4.24Å; F95-L116 HydrophobicContact CE1-CB 3.79Å; F95-L116 HydrophobicContact CE1-CD1 4.48Å; F95-L116 HydrophobicContact CG-CB 4.29Å; F95-L116 HydrophobicContact CG-CD1 3.53Å; F95-L116 HydrophobicContact CG-CG 4.48Å; F95-L116 HydrophobicContact CZ-CB 4.15Å; F95-F119 HydrophobicContact CB-CD1 4.04Å; F95-F119 HydrophobicContact CB-CE1 4.19Å; F95-F119 HydrophobicContact CD2-CB 3.67Å; F95-F119 AromaticContact CD2-CD1 3.92Å; F95-F119 HydrophobicContact CD2-CD1 3.92Å; F95-F119 AromaticContact CD2-CD2 3.79Å; F95-F119 HydrophobicContact CD2-CD2 3.79Å; F95-F119 HydrophobicContact CD2-CE2 4.42Å; F95-F119 AromaticContact CD2-CG 3.52Å; F95-F119 HydrophobicContact CD2-CG 3.52Å; F95-F119 HydrophobicContact CE2-CB 3.93Å; F95-F119 HydrophobicContact CE2-CD2 4.36Å; F95-F119 HydrophobicContact CE2-CG 4.2Å; F95-F119 HydrophobicContact CG-CD1 4.43Å; F95-F119 HydrophobicContact CG-CG 4.43Å; F95-D146 HydrophobicContact CE2-CB 4.41Å
96	K	97	Very high	92.7	Very high	142 Å²	142	67.2 Å²	67.2	62%	0.617	37%	0.366	S	S	*	.	H	α-helix	trans	-57.3	-44	173.4	-174.7	-176.6	176.2	-177.8	0	111.4	A92 S93 V99 I100	A92-K96 WeakPolarHBondContact O-CB 3.21Å; A92-K96 PolarHBondContact O-N 3.41Å; S93-K96 WeakPolarHBondContact O-CB 3.48Å; S93-K96 PolarHBondContact O-N 3.06Å; K96-V99 PolarHBondContact O-N 2.94Å; K96-I100 HydrophobicContact CG-CD1 4.27Å; K96-I100 WeakPolarHBondContact O-CG1 3.43Å; K96-I100 PolarHBondContact O-N 2.84Å; K96-I100 VanDerWaalsContact O-N 3.12Å
97	N	97.4	Very high	93.9	Very high	88 Å²	88	71.2 Å²	71.2	47%	0.471	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-39.3	175.9	-70.6	-16.8	0	0	0	112.1	S93 I94 F95 I100 T101	S93-N97 PolarHBondContact O-N 3.16Å; S93-N97 VanDerWaalsContact O-N 3.09Å; I94-N97 WeakPolarHBondContact O-CB 3.36Å; I94-N97 PolarHBondContact O-N 3.12Å; F95-N97 VanDerWaalsContact C-N 3.29Å; F95-N97 PolarHBondContact O-N 3.18Å; N97-I100 PolarHBondContact O-N 3.1Å; N97-T101 VanDerWaalsContact O-CB 3.26Å; N97-T101 WeakPolarHBondContact O-CB 3.45Å; N97-T101 PolarHBondContact O-N 2.92Å; N97-T101 PolarHBondContact O-OG1 2.93Å
98	F	98.1	Very high	94.9	Very high	3 Å²	3	72.8 Å²	72.8	1%	0.013	39%	0.394	C	S	.	.	H	α-helix	trans	-58.4	-47.4	173.3	162.8	-96.9	0	0	0	111.5	I94 F95 I100 T101 Y102 R104 F119 V141 T142 D146	I94-F98 PolarHBondContact O-N 2.63Å; F95-F98 AromaticContact CD2-CD1 3.82Å; F95-F98 HydrophobicContact CD2-CD1 3.82Å; F95-F98 HydrophobicContact CD2-CE1 4.48Å; F95-F98 AromaticContact CE2-CD1 3.83Å; F95-F98 HydrophobicContact CE2-CD1 3.83Å; F95-F98 HydrophobicContact CE2-CE1 4.09Å; F95-F98 WeakPolarHBondContact O-CB 2.96Å; F95-F98 PolarHBondContact O-N 2.04Å; F95-F98 VanDerWaalsContact O-N 3.14Å; F98-I100 VanDerWaalsContact C-N 3.32Å; F98-I100 PolarHBondContact O-N 2.77Å; F98-T101 PolarHBondContact O-N 2.88Å; F98-Y102 AromaticContact CD2-CD2 3.31Å; F98-Y102 HydrophobicContact CD2-CD2 3.31Å; F98-Y102 AromaticContact CD2-CE2 3.71Å; F98-Y102 HydrophobicContact CD2-CE2 3.71Å; F98-Y102 HydrophobicContact CD2-CG 4.38Å; F98-Y102 AromaticContact CE2-CD2 3.45Å; F98-Y102 HydrophobicContact CE2-CD2 3.45Å; F98-Y102 VanDerWaalsContact CE2-CD2 3.45Å; F98-Y102 AromaticContact CE2-CE2 3.99Å; F98-Y102 HydrophobicContact CE2-CE2 3.99Å; F98-Y102 HydrophobicContact CE2-CG 4.18Å; F98-Y102 HydrophobicContact CG-CD2 4.24Å; F98-Y102 HydrophobicContact CZ-CD2 4.48Å; F98-Y102 WeakPolarHBondContact O-CD2 3.46Å; F98-Y102 PolarHBondContact O-N 3.48Å; F98-R104 HydrophobicContact CD1-CG 4.48Å; F98-R104 HydrophobicContact CE1-CG 3.75Å; F98-R104 HydrophobicContact CZ-CG 3.98Å; F98-F119 HydrophobicContact CB-CE2 3.8Å; F98-F119 HydrophobicContact CB-CZ 4.2Å; F98-F119 HydrophobicContact CD1-CD2 4.04Å; F98-F119 HydrophobicContact CD1-CE2 4.06Å; F98-F119 HydrophobicContact CD2-CD2 4.47Å; F98-F119 AromaticContact CD2-CE2 3.92Å; F98-F119 HydrophobicContact CD2-CE2 3.92Å; F98-F119 HydrophobicContact CE1-CD2 4.39Å; F98-F119 HydrophobicContact CG-CD2 4.09Å; F98-F119 AromaticContact CG-CE2 3.64Å; F98-F119 HydrophobicContact CG-CE2 3.64Å; F98-V141 HydrophobicContact CB-CG1 4.17Å; F98-V141 HydrophobicContact CD2-CG1 3.51Å; F98-V141 HydrophobicContact CE2-CG1 4.38Å; F98-V141 HydrophobicContact CG-CG1 4.25Å; F98-T142 VanDerWaalsContact CE2-O 3.22Å; F98-T142 WeakPolarHBondContact CE2-O 3.39Å; F98-D146 HydrophobicContact CE1-CB 3.61Å; F98-D146 VanDerWaalsContact CE1-CG 3.49Å; F98-D146 HydrophobicContact CZ-CB 3.84Å; F98-D146 VanDerWaalsContact CZ-CG 3.45Å; F98-D146 WeakPolarHBondContact CZ-OD1 3.14Å
99	V	98.1	Very high	95.4	Very high	35 Å²	35	76.1 Å²	76.1	21%	0.212	40%	0.399	C	S	.	.	H	α-helix	trans	-58.2	-45	178.4	168.9	0	0	0	0	111.3	F95 K96 N103 R104 Y106	F95-V99 HydrophobicContact CD1-CG2 4.23Å; F95-V99 HydrophobicContact CD2-CG2 4.5Å; F95-V99 HydrophobicContact CE1-CG2 3.88Å; F95-V99 HydrophobicContact CE2-CG2 4.17Å; F95-V99 HydrophobicContact CZ-CG2 3.86Å; F95-V99 WeakPolarHBondContact O-CG2 3.38Å; F95-V99 PolarHBondContact O-N 3.31Å; K96-V99 PolarHBondContact O-N 2.94Å; V99-N103 CarbonylContact O-C 3.53Å; V99-N103 WeakPolarHBondContact O-CA 3.09Å; V99-N103 PolarHBondContact O-N 3.28Å; V99-N103 VanDerWaalsContact O-N 3.08Å; V99-R104 HydrophobicContact CB-CB 4.36Å; V99-R104 HydrophobicContact CG1-CB 4.18Å; V99-R104 WeakPolarHBondContact CG1-O 3.44Å; V99-R104 HydrophobicContact CG2-CB 4.27Å; V99-R104 PolarHBondContact O-N 2.66Å; V99-Y106 HydrophobicContact CG2-CE2 3.78Å
100	I	97.6	Very high	96	Very high	116 Å²	116	76.8 Å²	76.8	60%	0.595	40%	0.395	S	S	*	.	H	α-helix	trans	-66.6	-47.3	177.3	-65	165	0	0	0	111	K96 N97 F98 Y102 N103	K96-I100 HydrophobicContact CG-CD1 4.27Å; K96-I100 WeakPolarHBondContact O-CG1 3.43Å; K96-I100 PolarHBondContact O-N 2.84Å; K96-I100 VanDerWaalsContact O-N 3.12Å; N97-I100 PolarHBondContact O-N 3.1Å; F98-I100 VanDerWaalsContact C-N 3.32Å; F98-I100 PolarHBondContact O-N 2.77Å; I100-Y102 VanDerWaalsContact C-N 3.33Å; I100-Y102 PolarHBondContact O-N 3.46Å; I100-N103 PolarHBondContact O-N 3.31Å
101	T	96.3	Very high	96.4	Very high	99 Å²	99	77 Å²	77	61%	0.607	40%	0.397	S	S	*	.	H	α-helix	trans	-62.5	-40.4	-174.3	-59.3	0	0	0	0	112.1	N97 F98	N97-T101 VanDerWaalsContact O-CB 3.26Å; N97-T101 WeakPolarHBondContact O-CB 3.45Å; N97-T101 PolarHBondContact O-N 2.92Å; N97-T101 PolarHBondContact O-OG1 2.93Å; F98-T101 PolarHBondContact O-N 2.88Å
102	Y	96.1	Very high	96.7	Very high	42 Å²	42	78 Å²	78	17%	0.165	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	14.2	-176.9	-64.2	-71.5	0	0	0	113.2	F98 I100 R104 V141 K143	F98-Y102 AromaticContact CD2-CD2 3.31Å; F98-Y102 HydrophobicContact CD2-CD2 3.31Å; F98-Y102 AromaticContact CD2-CE2 3.71Å; F98-Y102 HydrophobicContact CD2-CE2 3.71Å; F98-Y102 HydrophobicContact CD2-CG 4.38Å; F98-Y102 AromaticContact CE2-CD2 3.45Å; F98-Y102 HydrophobicContact CE2-CD2 3.45Å; F98-Y102 VanDerWaalsContact CE2-CD2 3.45Å; F98-Y102 AromaticContact CE2-CE2 3.99Å; F98-Y102 HydrophobicContact CE2-CE2 3.99Å; F98-Y102 HydrophobicContact CE2-CG 4.18Å; F98-Y102 HydrophobicContact CG-CD2 4.24Å; F98-Y102 HydrophobicContact CZ-CD2 4.48Å; F98-Y102 WeakPolarHBondContact O-CD2 3.46Å; F98-Y102 PolarHBondContact O-N 3.48Å; I100-Y102 VanDerWaalsContact C-N 3.33Å; I100-Y102 PolarHBondContact O-N 3.46Å; Y102-R104 PolarHBondContact O-N 2.98Å; Y102-V141 HydrophobicContact CE2-CG1 4.04Å; Y102-K143 HydrophobicContact CD1-CB 3.45Å; Y102-K143 VanDerWaalsContact CD1-CB 3.45Å; Y102-K143 HydrophobicContact CE1-CB 3.56Å; Y102-K143 HydrophobicContact CG-CB 4.04Å; Y102-K143 VanDerWaalsContact CZ-N 3.33Å
103	N	96.6	Very high	96.8	Very high	139 Å²	139	83.3 Å²	83.3	74%	0.743	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	46.5	179.2	-166.5	40.8	0	0	0	112.6	V99 I100	V99-N103 CarbonylContact O-C 3.53Å; V99-N103 WeakPolarHBondContact O-CA 3.09Å; V99-N103 PolarHBondContact O-N 3.28Å; V99-N103 VanDerWaalsContact O-N 3.08Å; I100-N103 PolarHBondContact O-N 3.31Å
104	R	96.7	Very high	97	Very high	68 Å²	68	85.9 Å²	85.9	26%	0.257	42%	0.417	S	S	.	.			trans	-75.1	136.4	-177.7	-67.8	-69.2	-174.3	-166.3	4.1	110.5	F98 V99 Y102 Y106 K143 D146	F98-R104 HydrophobicContact CD1-CG 4.48Å; F98-R104 HydrophobicContact CE1-CG 3.75Å; F98-R104 HydrophobicContact CZ-CG 3.98Å; V99-R104 HydrophobicContact CB-CB 4.36Å; V99-R104 HydrophobicContact CG1-CB 4.18Å; V99-R104 WeakPolarHBondContact CG1-O 3.44Å; V99-R104 HydrophobicContact CG2-CB 4.27Å; V99-R104 PolarHBondContact O-N 2.66Å; Y102-R104 PolarHBondContact O-N 2.98Å; R104-Y106 HydrophobicContact CB-CE1 4.4Å; R104-Y106 HydrophobicContact CB-CE2 4.35Å; R104-K143 PolarHBondContact NH2-O 3.15Å; R104-D146 IonicContact CZ-OD1 2.82Å; R104-D146 IonicContact NE-OD1 3.59Å; R104-D146 IonicContact NE-OD2 3.24Å; R104-D146 PolarHBondContact NE-OD2 2.93Å; R104-D146 IonicContact NH2-OD1 3.5Å
105	T	96.4	Very high	97.1	Very high	122 Å²	122	86.4 Å²	86.4	75%	0.748	42%	0.418	S	S	*	.			trans	-123.8	141	171.4	55.6	0	0	0	0	108.8
106	Y	96.8	Very high	97.1	Very high	46 Å²	46	87.9 Å²	87.9	18%	0.18	43%	0.426	C	S	.	.			trans	-125.4	140	177.1	-54.1	-58.3	0	0	0	108.3	F95 V99 R104 S108 E111 A112 R115 D146	F95-Y106 HydrophobicContact CE1-CE2 4.18Å; F95-Y106 AromaticContact CZ-CE2 3.62Å; F95-Y106 HydrophobicContact CZ-CE2 3.62Å; F95-Y106 AromaticContact CZ-CZ 3.82Å; F95-Y106 WeakPolarHBondContact CZ-OH 3.3Å; V99-Y106 HydrophobicContact CG2-CE2 3.78Å; R104-Y106 HydrophobicContact CB-CE1 4.4Å; R104-Y106 HydrophobicContact CB-CE2 4.35Å; Y106-S108 VanDerWaalsContact C-N 3.28Å; Y106-S108 PolarHBondContact O-N 3.07Å; Y106-E111 WeakPolarHBondContact CA-OE2 3.42Å; Y106-E111 HydrophobicContact CD1-CG 4.46Å; Y106-A112 HydrophobicContact CD2-CB 3.64Å; Y106-A112 HydrophobicContact CE2-CB 4.49Å; Y106-A112 HydrophobicContact CG-CB 4.12Å; Y106-R115 HydrophobicContact CD1-CB 4.31Å; Y106-R115 HydrophobicContact CD1-CG 3.75Å; Y106-R115 HydrophobicContact CE1-CB 3.8Å; Y106-R115 HydrophobicContact CE1-CG 3.49Å; Y106-R115 VanDerWaalsContact CE1-CG 3.49Å; Y106-R115 HydrophobicContact CE2-CB 4.36Å; Y106-D146 WeakPolarHBondContact CE1-OD2 3.26Å; Y106-D146 PolarHBondContact OH-OD2 3.24Å
107	E	96	Very high	97.1	Very high	191 Å²	191	84.1 Å²	84.1	89%	0.893	42%	0.418	S	S	*	.	S	Bend	trans	-65.9	-33	-174.2	-64.1	-177.4	171.2	0	0	112.1	E111	E107-E111 PolarHBondContact N-OE2 2.73Å
108	S	97.4	Very high	97.1	Very high	48 Å²	48	80.5 Å²	80.5	34%	0.336	40%	0.399	S	S	.	.	S	Bend	trans	-140.6	163	-176.1	64.9	0	0	0	0	112.6	Y106 E110 E111 A112	Y106-S108 VanDerWaalsContact C-N 3.28Å; Y106-S108 PolarHBondContact O-N 3.07Å; S108-E110 PolarHBondContact O-N 2.73Å; S108-E111 PolarHBondContact O-N 3.38Å; S108-E111 WeakPolarHBondContact OG-CB 3.26Å; S108-E111 PolarHBondContact OG-N 2.76Å; S108-A112 PolarHBondContact O-N 3.14Å
109	K	95.8	Very high	97.2	Very high	158 Å²	158	80.3 Å²	80.3	69%	0.687	40%	0.398	S	S	*	.	H	α-helix	trans	-64.2	-31.1	172.3	-68.3	-179.4	-179.6	175.9	0	110.9	R113	K109-R113 WeakPolarHBondContact O-CG 3.27Å; K109-R113 PolarHBondContact O-N 2.84Å; K109-R113 PolarHBondContact O-NH1 3.3Å
110	E	97.8	Very high	97.1	Very high	121 Å²	121	80.8 Å²	80.8	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-67.7	-46.2	178.9	-67.6	57.6	-122.9	0	0	109.8	S108 R113 W114	S108-E110 PolarHBondContact O-N 2.73Å; E110-R113 PolarHBondContact O-N 2.86Å; E110-R113 IonicContact OE1-NH1 3.72Å; E110-R113 PolarHBondContact OE1-NH1 3.46Å; E110-W114 PolarHBondContact O-N 2.56Å
111	E	97.4	Very high	97.1	Very high	45 Å²	45	80 Å²	80	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-61.1	-47.5	172.6	-169.2	-163.1	169.5	0	0	111.1	Y106 E107 S108 R113 W114 R115	Y106-E111 WeakPolarHBondContact CA-OE2 3.42Å; Y106-E111 HydrophobicContact CD1-CG 4.46Å; E107-E111 PolarHBondContact N-OE2 2.73Å; S108-E111 PolarHBondContact O-N 3.38Å; S108-E111 WeakPolarHBondContact OG-CB 3.26Å; S108-E111 PolarHBondContact OG-N 2.76Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 2.77Å; E111-W114 HydrophobicContact CG-CE3 4.49Å; E111-W114 CarbonylContact O-C 3.58Å; E111-W114 PolarHBondContact O-N 3.13Å; E111-R115 HydrophobicContact CG-CG 4.11Å; E111-R115 WeakPolarHBondContact O-CB 3.22Å; E111-R115 VanDerWaalsContact O-CG 3.32Å; E111-R115 WeakPolarHBondContact O-CG 3.49Å; E111-R115 PolarHBondContact O-N 3.13Å; E111-R115 IonicContact OE1-NE 2.87Å
112	A	97.2	Very high	97.1	Very high	29 Å²	29	75.8 Å²	75.8	24%	0.24	37%	0.371	C	S	.	.	H	α-helix	trans	-58.5	-39.9	179.4	0	0	0	0	0	112.5	Y106 S108 L116	Y106-A112 HydrophobicContact CD2-CB 3.64Å; Y106-A112 HydrophobicContact CE2-CB 4.49Å; Y106-A112 HydrophobicContact CG-CB 4.12Å; S108-A112 PolarHBondContact O-N 3.14Å; A112-L116 PolarHBondContact O-N 2.72Å
113	R	96.4	Very high	97.2	Very high	155 Å²	155	73.9 Å²	73.9	59%	0.585	36%	0.364	S	S	*	.	H	α-helix	trans	-66.5	-40.2	174.5	-75	-174.5	-162.6	100.4	-9	112.1	K109 E110 E111 L116 S117	K109-R113 WeakPolarHBondContact O-CG 3.27Å; K109-R113 PolarHBondContact O-N 2.84Å; K109-R113 PolarHBondContact O-NH1 3.3Å; E110-R113 PolarHBondContact O-N 2.86Å; E110-R113 IonicContact OE1-NH1 3.72Å; E110-R113 PolarHBondContact OE1-NH1 3.46Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 2.77Å; R113-L116 PolarHBondContact O-N 2.78Å; R113-S117 PolarHBondContact O-N 3.28Å; R113-S117 VanDerWaalsContact O-N 3.14Å
114	W	97.9	Very high	97.1	Very high	120 Å²	120	69.7 Å²	69.7	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-44.4	176.2	175.1	67.9	0	0	0	111.7	E110 E111 L116 S117 V118 T148	E110-W114 PolarHBondContact O-N 2.56Å; E111-W114 HydrophobicContact CG-CE3 4.49Å; E111-W114 CarbonylContact O-C 3.58Å; E111-W114 PolarHBondContact O-N 3.13Å; W114-L116 VanDerWaalsContact C-N 3.31Å; W114-L116 PolarHBondContact O-N 2.73Å; W114-S117 WeakPolarHBondContact O-CA 3.21Å; W114-S117 VanDerWaalsContact O-CB 3.26Å; W114-S117 WeakPolarHBondContact O-CB 3.4Å; W114-S117 PolarHBondContact O-N 3.05Å; W114-V118 HydrophobicContact CD2-CG2 4.28Å; W114-V118 HydrophobicContact CZ2-CG2 3.98Å; W114-V118 PolarHBondContact O-N 2.76Å; W114-T148 HydrophobicContact CH2-CG2 4.25Å; W114-T148 HydrophobicContact CZ2-CG2 3.89Å
115	R	98.4	Very high	97.1	Very high	29 Å²	29	68.9 Å²	68.9	11%	0.109	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-37.4	175.4	-70.2	-76.8	-177	-153.1	-3.8	112.4	F95 Y106 E111 V118 F119 D146 E151	F95-R115 HydrophobicContact CZ-CB 4.04Å; Y106-R115 HydrophobicContact CD1-CB 4.31Å; Y106-R115 HydrophobicContact CD1-CG 3.75Å; Y106-R115 HydrophobicContact CE1-CB 3.8Å; Y106-R115 HydrophobicContact CE1-CG 3.49Å; Y106-R115 VanDerWaalsContact CE1-CG 3.49Å; Y106-R115 HydrophobicContact CE2-CB 4.36Å; E111-R115 HydrophobicContact CG-CG 4.11Å; E111-R115 WeakPolarHBondContact O-CB 3.22Å; E111-R115 VanDerWaalsContact O-CG 3.32Å; E111-R115 WeakPolarHBondContact O-CG 3.49Å; E111-R115 PolarHBondContact O-N 3.13Å; E111-R115 IonicContact OE1-NE 2.87Å; R115-V118 PolarHBondContact O-N 2.76Å; R115-F119 VanDerWaalsContact O-CB 3.28Å; R115-F119 WeakPolarHBondContact O-CB 3.32Å; R115-F119 PolarHBondContact O-N 3.36Å; R115-D146 HydrophobicContact CB-CB 4.43Å; R115-D146 VanDerWaalsContact CD-O 3.3Å; R115-D146 WeakPolarHBondContact CD-O 3.37Å; R115-D146 PolarHBondContact NH1-O 3.46Å; R115-E151 IonicContact CZ-OE1 2.74Å; R115-E151 VanDerWaalsContact CZ-OE1 3.3Å; R115-E151 IonicContact CZ-OE2 3.1Å; R115-E151 VanDerWaalsContact NH1-CD 3.3Å; R115-E151 IonicContact NH1-OE1 2.78Å; R115-E151 PolarHBondContact NH1-OE1 2.84Å; R115-E151 IonicContact NH1-OE2 3.9Å; R115-E151 PolarHBondContact NH1-OE2 2.68Å; R115-E151 IonicContact NH2-OE1 3.44Å; R115-E151 PolarHBondContact NH2-OE1 3.03Å
116	L	97.6	Very high	97.1	Very high	49 Å²	49	63.1 Å²	63.1	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-42.8	169.6	172.7	61	0	0	0	111.8	F95 A112 R113 W114 F119 V120	F95-L116 HydrophobicContact CB-CD1 3.45Å; F95-L116 VanDerWaalsContact CB-CD1 3.45Å; F95-L116 HydrophobicContact CD1-CB 3.87Å; F95-L116 HydrophobicContact CD1-CD1 3.69Å; F95-L116 HydrophobicContact CD1-CG 4.25Å; F95-L116 HydrophobicContact CD2-CD1 4.24Å; F95-L116 HydrophobicContact CE1-CB 3.79Å; F95-L116 HydrophobicContact CE1-CD1 4.48Å; F95-L116 HydrophobicContact CG-CB 4.29Å; F95-L116 HydrophobicContact CG-CD1 3.53Å; F95-L116 HydrophobicContact CG-CG 4.48Å; F95-L116 HydrophobicContact CZ-CB 4.15Å; A112-L116 PolarHBondContact O-N 2.72Å; R113-L116 PolarHBondContact O-N 2.78Å; W114-L116 VanDerWaalsContact C-N 3.31Å; W114-L116 PolarHBondContact O-N 2.73Å; L116-F119 WeakPolarHBondContact O-CB 3.22Å; L116-F119 PolarHBondContact O-N 3.08Å; L116-V120 HydrophobicContact CD1-CG2 4.12Å; L116-V120 WeakPolarHBondContact O-CG2 3.43Å; L116-V120 PolarHBondContact O-N 3.37Å
117	S	97.3	Very high	97	Very high	63 Å²	63	62.4 Å²	62.4	44%	0.441	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-44.6	176.3	-176.9	0	0	0	0	111.9	R113 W114 F119 V120 N121	R113-S117 PolarHBondContact O-N 3.28Å; R113-S117 VanDerWaalsContact O-N 3.14Å; W114-S117 WeakPolarHBondContact O-CA 3.21Å; W114-S117 VanDerWaalsContact O-CB 3.26Å; W114-S117 WeakPolarHBondContact O-CB 3.4Å; W114-S117 PolarHBondContact O-N 3.05Å; S117-F119 VanDerWaalsContact C-N 3.34Å; S117-F119 PolarHBondContact O-N 2.81Å; S117-V120 PolarHBondContact O-N 3.04Å; S117-N121 PolarHBondContact O-N 3.01Å; S117-N121 PolarHBondContact O-ND2 3.05Å; S117-N121 VanDerWaalsContact O-ND2 3.12Å
118	V	98.3	Very high	97	Very high	12 Å²	12	59.8 Å²	59.8	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-46.5	173.9	176.3	0	0	0	0	110.7	W114 R115 V120 N121 N122 D146 T148	W114-V118 HydrophobicContact CD2-CG2 4.28Å; W114-V118 HydrophobicContact CZ2-CG2 3.98Å; W114-V118 PolarHBondContact O-N 2.76Å; R115-V118 PolarHBondContact O-N 2.76Å; V118-V120 PolarHBondContact O-N 3.25Å; V118-N121 PolarHBondContact O-N 2.81Å; V118-N122 WeakPolarHBondContact O-CB 3.09Å; V118-N122 PolarHBondContact O-N 3.23Å; V118-D146 WeakPolarHBondContact CG1-O 3.32Å; V118-T148 HydrophobicContact CG1-CG2 4.03Å; V118-T148 HydrophobicContact CG2-CG2 3.86Å
119	F	98.3	Very high	96.9	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-48.2	177.3	-178.9	-88.5	0	0	0	112.7	I94 F95 F98 R115 L116 S117 N121 N122 M123 V141 S145	I94-F119 HydrophobicContact CB-CE1 4.45Å; I94-F119 HydrophobicContact CG2-CE1 3.95Å; I94-F119 HydrophobicContact CG2-CZ 3.76Å; F95-F119 HydrophobicContact CB-CD1 4.04Å; F95-F119 HydrophobicContact CB-CE1 4.19Å; F95-F119 HydrophobicContact CD2-CB 3.67Å; F95-F119 AromaticContact CD2-CD1 3.92Å; F95-F119 HydrophobicContact CD2-CD1 3.92Å; F95-F119 AromaticContact CD2-CD2 3.79Å; F95-F119 HydrophobicContact CD2-CD2 3.79Å; F95-F119 HydrophobicContact CD2-CE2 4.42Å; F95-F119 AromaticContact CD2-CG 3.52Å; F95-F119 HydrophobicContact CD2-CG 3.52Å; F95-F119 HydrophobicContact CE2-CB 3.93Å; F95-F119 HydrophobicContact CE2-CD2 4.36Å; F95-F119 HydrophobicContact CE2-CG 4.2Å; F95-F119 HydrophobicContact CG-CD1 4.43Å; F95-F119 HydrophobicContact CG-CG 4.43Å; F98-F119 HydrophobicContact CB-CE2 3.8Å; F98-F119 HydrophobicContact CB-CZ 4.2Å; F98-F119 HydrophobicContact CD1-CD2 4.04Å; F98-F119 HydrophobicContact CD1-CE2 4.06Å; F98-F119 HydrophobicContact CD2-CD2 4.47Å; F98-F119 AromaticContact CD2-CE2 3.92Å; F98-F119 HydrophobicContact CD2-CE2 3.92Å; F98-F119 HydrophobicContact CE1-CD2 4.39Å; F98-F119 HydrophobicContact CG-CD2 4.09Å; F98-F119 AromaticContact CG-CE2 3.64Å; F98-F119 HydrophobicContact CG-CE2 3.64Å; R115-F119 VanDerWaalsContact O-CB 3.28Å; R115-F119 WeakPolarHBondContact O-CB 3.32Å; R115-F119 PolarHBondContact O-N 3.36Å; L116-F119 WeakPolarHBondContact O-CB 3.22Å; L116-F119 PolarHBondContact O-N 3.08Å; S117-F119 VanDerWaalsContact C-N 3.34Å; S117-F119 PolarHBondContact O-N 2.81Å; F119-N121 PolarHBondContact O-N 2.78Å; F119-N122 PolarHBondContact O-N 2.91Å; F119-M123 HydrophobicContact CD1-CG 4.06Å; F119-M123 HydrophobicContact CE1-CG 3.65Å; F119-M123 HydrophobicContact CE1-SD 4.31Å; F119-M123 HydrophobicContact CE2-CE 4.27Å; F119-M123 HydrophobicContact CZ-CE 4.34Å; F119-M123 HydrophobicContact CZ-CG 3.98Å; F119-M123 HydrophobicContact CZ-SD 4.02Å; F119-M123 WeakPolarHBondContact O-CG 3.35Å; F119-M123 PolarHBondContact O-N 2.89Å; F119-V141 HydrophobicContact CE2-CG1 4.09Å; F119-V141 HydrophobicContact CE2-CG2 4.08Å; F119-V141 HydrophobicContact CZ-CG1 4.42Å; F119-V141 HydrophobicContact CZ-CG2 3.69Å; F119-S145 VanDerWaalsContact CA-O 3.32Å; F119-S145 WeakPolarHBondContact CA-O 3.35Å; F119-S145 VanDerWaalsContact CD2-CB 3.49Å; F119-S145 VanDerWaalsContact CE2-CB 3.47Å
120	V	96.9	Very high	97	Very high	44 Å²	44	53.2 Å²	53.2	27%	0.267	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-45.7	178.1	171	0	0	0	0	111.1	M91 L116 S117 V118 N122 M123 V124	M91-V120 HydrophobicContact CB-CG2 3.82Å; M91-V120 HydrophobicContact CG-CG2 4.11Å; L116-V120 HydrophobicContact CD1-CG2 4.12Å; L116-V120 WeakPolarHBondContact O-CG2 3.43Å; L116-V120 PolarHBondContact O-N 3.37Å; S117-V120 PolarHBondContact O-N 3.04Å; V118-V120 PolarHBondContact O-N 3.25Å; V120-N122 VanDerWaalsContact C-N 3.29Å; V120-N122 PolarHBondContact O-N 2.79Å; V120-M123 PolarHBondContact O-N 3.05Å; V120-V124 PolarHBondContact O-N 2.86Å; V120-V124 VanDerWaalsContact O-N 3.09Å
121	N	96.6	Very high	96.9	Very high	100 Å²	100	51.6 Å²	51.6	54%	0.535	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-39.4	177.5	-71.6	-35.8	0	0	0	111.8	S117 V118 F119 V124 R125	S117-N121 PolarHBondContact O-N 3.01Å; S117-N121 PolarHBondContact O-ND2 3.05Å; S117-N121 VanDerWaalsContact O-ND2 3.12Å; V118-N121 PolarHBondContact O-N 2.81Å; F119-N121 PolarHBondContact O-N 2.78Å; N121-V124 PolarHBondContact O-N 2.81Å; N121-R125 PolarHBondContact O-N 3.02Å
122	N	97.9	Very high	96.8	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.053	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-36.4	176.1	-81.6	-21.2	0	0	0	112.8	V118 F119 V120 V124 R125 A126 S145 L147 F319	V118-N122 WeakPolarHBondContact O-CB 3.09Å; V118-N122 PolarHBondContact O-N 3.23Å; F119-N122 PolarHBondContact O-N 2.91Å; V120-N122 VanDerWaalsContact C-N 3.29Å; V120-N122 PolarHBondContact O-N 2.79Å; N122-V124 VanDerWaalsContact C-N 3.33Å; N122-V124 PolarHBondContact O-N 3.28Å; N122-R125 PolarHBondContact O-N 3.17Å; N122-A126 WeakPolarHBondContact O-CB 3.19Å; N122-A126 PolarHBondContact O-N 3.49Å; N122-S145 WeakPolarHBondContact CB-O 3.43Å; N122-S145 PolarHBondContact ND2-O 2.99Å; N122-L147 PolarHBondContact ND2-O 3.44Å; N122-F319 HydrophobicContact CB-CE1 3.63Å; N122-F319 HydrophobicContact CB-CZ 3.83Å
123	M	97.1	Very high	96.8	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-39.3	173.6	-67.5	-53.8	95.9	0	0	111.5	F71 M91 F119 V120 R125 A126 Q127 V141	F71-M123 HydrophobicContact CE1-SD 3.77Å; F71-M123 HydrophobicContact CZ-SD 3.67Å; M91-M123 HydrophobicContact CE-CB 4.26Å; M91-M123 HydrophobicContact SD-CB 4.37Å; M91-M123 HydrophobicContact SD-CG 4.36Å; F119-M123 HydrophobicContact CD1-CG 4.06Å; F119-M123 HydrophobicContact CE1-CG 3.65Å; F119-M123 HydrophobicContact CE1-SD 4.31Å; F119-M123 HydrophobicContact CE2-CE 4.27Å; F119-M123 HydrophobicContact CZ-CE 4.34Å; F119-M123 HydrophobicContact CZ-CG 3.98Å; F119-M123 HydrophobicContact CZ-SD 4.02Å; F119-M123 WeakPolarHBondContact O-CG 3.35Å; F119-M123 PolarHBondContact O-N 2.89Å; V120-M123 PolarHBondContact O-N 3.05Å; M123-R125 VanDerWaalsContact C-N 3.34Å; M123-R125 PolarHBondContact O-N 3.33Å; M123-A126 PolarHBondContact O-N 3.36Å; M123-Q127 WeakPolarHBondContact O-CG 3.03Å; M123-Q127 PolarHBondContact O-N 3.43Å; M123-V141 HydrophobicContact CE-CG2 4.24Å; M123-V141 HydrophobicContact SD-CG2 3.63Å
124	V	95.7	Very high	96.8	Very high	52 Å²	52	53 Å²	53	32%	0.315	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-42.2	172.4	174.5	0	0	0	0	111.1	V120 N121 N122 Q127 K128	V120-V124 PolarHBondContact O-N 2.86Å; V120-V124 VanDerWaalsContact O-N 3.09Å; N121-V124 PolarHBondContact O-N 2.81Å; N122-V124 VanDerWaalsContact C-N 3.33Å; N122-V124 PolarHBondContact O-N 3.28Å; V124-Q127 PolarHBondContact O-N 2.84Å; V124-K128 WeakPolarHBondContact O-CG 3.31Å; V124-K128 PolarHBondContact O-N 2.79Å
125	R	95.6	Very high	96.6	Very high	50 Å²	50	48.6 Å²	48.6	19%	0.189	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-43.6	176.3	-177.5	178.2	171.3	164.1	6.7	112.3	N121 N122 M123 Q127 K128 I129 E149 F319	N121-R125 PolarHBondContact O-N 3.02Å; N122-R125 PolarHBondContact O-N 3.17Å; M123-R125 VanDerWaalsContact C-N 3.34Å; M123-R125 PolarHBondContact O-N 3.33Å; R125-Q127 VanDerWaalsContact C-N 3.28Å; R125-Q127 PolarHBondContact O-N 3.4Å; R125-K128 PolarHBondContact O-N 3.14Å; R125-I129 HydrophobicContact CG-CD1 4.01Å; R125-I129 WeakPolarHBondContact O-CG1 3Å; R125-I129 PolarHBondContact O-N 2.81Å; R125-E149 IonicContact CZ-OE1 3.88Å; R125-E149 IonicContact CZ-OE2 2.84Å; R125-E149 IonicContact NH1-OE1 3.49Å; R125-E149 PolarHBondContact NH1-OE1 2.93Å; R125-E149 IonicContact NH1-OE2 3.98Å; R125-E149 PolarHBondContact NH1-OE2 3.33Å; R125-E149 VanDerWaalsContact NH2-CD 3.33Å; R125-E149 IonicContact NH2-OE1 2.77Å; R125-E149 PolarHBondContact NH2-OE1 3.04Å; R125-E149 IonicContact NH2-OE2 3.66Å; R125-F319 HydrophobicContact CB-CE2 4.27Å; R125-F319 HydrophobicContact CG-CE2 3.88Å
126	A	96.9	Very high	96.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-41.8	175.7	0	0	0	0	0	111.3	N122 M123 I129 Q130 F319	N122-A126 WeakPolarHBondContact O-CB 3.19Å; N122-A126 PolarHBondContact O-N 3.49Å; M123-A126 PolarHBondContact O-N 3.36Å; A126-I129 PolarHBondContact O-N 3.21Å; A126-Q130 WeakPolarHBondContact O-CB 3.48Å; A126-Q130 PolarHBondContact O-N 3.4Å; A126-F319 HydrophobicContact CB-CB 3.78Å; A126-F319 HydrophobicContact CB-CD1 4.29Å; A126-F319 HydrophobicContact CB-CD2 4.09Å; A126-F319 HydrophobicContact CB-CG 3.77Å
127	Q	94.9	Very high	96.6	Very high	31 Å²	31	48.4 Å²	48.4	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-39.7	175	-69.7	-60.4	-29.9	0	0	112.9	L78 M123 V124 R125 I129 Q130 A131	L78-Q127 HydrophobicContact CD1-CG 4.24Å; M123-Q127 WeakPolarHBondContact O-CG 3.03Å; M123-Q127 PolarHBondContact O-N 3.43Å; V124-Q127 PolarHBondContact O-N 2.84Å; R125-Q127 VanDerWaalsContact C-N 3.28Å; R125-Q127 PolarHBondContact O-N 3.4Å; Q127-I129 VanDerWaalsContact C-N 3.33Å; Q127-I129 PolarHBondContact O-N 2.94Å; Q127-Q130 WeakPolarHBondContact O-CB 3.45Å; Q127-Q130 PolarHBondContact O-N 3.43Å; Q127-A131 WeakPolarHBondContact O-CB 3.38Å; Q127-A131 PolarHBondContact O-N 3.35Å
128	K	95.9	Very high	96.6	Very high	136 Å²	136	49 Å²	49	59%	0.591	26%	0.259	S	S	*	.	H	α-helix	trans	-62.4	-41.2	173.8	-71.9	176	179.9	178.7	0	111.8	V124 R125 A131 L132	V124-K128 WeakPolarHBondContact O-CG 3.31Å; V124-K128 PolarHBondContact O-N 2.79Å; R125-K128 PolarHBondContact O-N 3.14Å; K128-A131 PolarHBondContact O-N 3.01Å; K128-L132 WeakPolarHBondContact O-CB 3.06Å; K128-L132 VanDerWaalsContact O-CG 3.24Å; K128-L132 WeakPolarHBondContact O-CG 3.31Å; K128-L132 PolarHBondContact O-N 3.18Å
129	I	95.4	Very high	96.6	Very high	10 Å²	10	49 Å²	49	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-46.4	175.2	-67.1	160.1	0	0	0	109.8	R125 A126 Q127 A131 L132 D133 Y139 F315 F319	R125-I129 HydrophobicContact CG-CD1 4.01Å; R125-I129 WeakPolarHBondContact O-CG1 3Å; R125-I129 PolarHBondContact O-N 2.81Å; A126-I129 PolarHBondContact O-N 3.21Å; Q127-I129 VanDerWaalsContact C-N 3.33Å; Q127-I129 PolarHBondContact O-N 2.94Å; I129-A131 VanDerWaalsContact C-N 3.3Å; I129-A131 PolarHBondContact O-N 3.34Å; I129-L132 PolarHBondContact O-N 2.97Å; I129-L132 VanDerWaalsContact O-N 3.08Å; I129-D133 PolarHBondContact O-N 3.06Å; I129-Y139 HydrophobicContact CG2-CD1 3.79Å; I129-Y139 HydrophobicContact CG2-CD2 3.97Å; I129-Y139 HydrophobicContact CG2-CE1 3.56Å; I129-Y139 HydrophobicContact CG2-CE2 3.75Å; I129-Y139 HydrophobicContact CG2-CG 3.99Å; I129-F315 HydrophobicContact CD1-CE1 4.38Å; I129-F315 HydrophobicContact CG1-CE1 4.1Å; I129-F315 HydrophobicContact CG1-CZ 4.43Å; I129-F319 HydrophobicContact CD1-CD2 3.78Å; I129-F319 HydrophobicContact CD1-CE2 4.17Å
130	Q	96.8	Very high	96.5	Very high	59 Å²	59	49.2 Å²	49.2	28%	0.276	26%	0.261	S	S	.	.	H	α-helix	trans	-54.5	-44.3	177	-179.1	65.9	73.4	0	0	112.7	A126 Q127 L132 A137 Q138 Y139	A126-Q130 WeakPolarHBondContact O-CB 3.48Å; A126-Q130 PolarHBondContact O-N 3.4Å; Q127-Q130 WeakPolarHBondContact O-CB 3.45Å; Q127-Q130 PolarHBondContact O-N 3.43Å; Q130-L132 VanDerWaalsContact C-N 3.28Å; Q130-L132 PolarHBondContact O-N 3.33Å; Q130-A137 PolarHBondContact NE2-O 3.48Å; Q130-A137 PolarHBondContact OE1-O 2.91Å; Q130-Q138 VanDerWaalsContact OE1-CA 3.29Å; Q130-Y139 HydrophobicContact CB-CD2 4.18Å
131	A	96.8	Very high	96.6	Very high	87 Å²	87	48.3 Å²	48.3	72%	0.719	26%	0.255	S	S	*	.	H	α-helix	trans	-71.5	-22.5	-179.1	0	0	0	0	0	113.5	Q127 K128 I129	Q127-A131 WeakPolarHBondContact O-CB 3.38Å; Q127-A131 PolarHBondContact O-N 3.35Å; K128-A131 PolarHBondContact O-N 3.01Å; I129-A131 VanDerWaalsContact C-N 3.3Å; I129-A131 PolarHBondContact O-N 3.34Å
132	L	95.9	Very high	96.7	Very high	82 Å²	82	43.6 Å²	43.6	43%	0.429	23%	0.23	S	C	.	.	H	α-helix	trans	-100.6	-18.6	-177.4	-68.2	176	0	0	0	113.4	K128 I129 Q130 L328 L331	K128-L132 WeakPolarHBondContact O-CB 3.06Å; K128-L132 VanDerWaalsContact O-CG 3.24Å; K128-L132 WeakPolarHBondContact O-CG 3.31Å; K128-L132 PolarHBondContact O-N 3.18Å; I129-L132 PolarHBondContact O-N 2.97Å; I129-L132 VanDerWaalsContact O-N 3.08Å; Q130-L132 VanDerWaalsContact C-N 3.28Å; Q130-L132 PolarHBondContact O-N 3.33Å; L132-L328 HydrophobicContact CD2-CD1 4.38Å; L132-L331 HydrophobicContact CB-CD1 4.03Å; L132-L331 HydrophobicContact CD1-CD1 3.85Å
133	D	96.2	Very high	96.7	Very high	20 Å²	20	44.1 Å²	44.1	11%	0.107	23%	0.232	C	C	.	.			trans	-67.4	134	176.8	-164.4	-90.8	0	0	0	110.5	I129 G135 Y139 R326 P327	I129-D133 PolarHBondContact O-N 3.06Å; D133-G135 VanDerWaalsContact OD1-CA 3.25Å; D133-G135 WeakPolarHBondContact OD1-CA 3.49Å; D133-G135 PolarHBondContact OD1-N 3.1Å; D133-Y139 HydrophobicContact CB-CE2 3.86Å; D133-Y139 PolarHBondContact OD2-OH 3.22Å; D133-Y139 VanDerWaalsContact OD2-OH 3.08Å; D133-R326 PolarHBondContact OD1-N 3.16Å; D133-R326 VanDerWaalsContact OD1-N 3.12Å; D133-R326 PolarHBondContact OD2-N 2.9Å; D133-P327 VanDerWaalsContact OD2-N 3.13Å
134	R	95.8	Very high	96.7	Very high	156 Å²	156	44 Å²	44	59%	0.589	23%	0.231	S	C	*	.			trans	-98.2	9.1	-177.3	-64.6	174.8	59.6	-172	1.4	112.8	R326 L328	R134-R326 HydrophobicContact CB-CB 4.28Å; R134-R326 HydrophobicContact CB-CG 4.17Å; R134-R326 PolarHBondContact N-O 3.44Å; R134-L328 HydrophobicContact CG-CD2 4.3Å
135	G	95.1	Very high	96.8	Very high	28 Å²	28	41.5 Å²	41.5	29%	0.289	22%	0.216	S	C	.	.	S	Bend	trans	-106.2	-152.7	-176.3	0	0	0	0	0	110.8	D133 I324	D133-G135 VanDerWaalsContact OD1-CA 3.25Å; D133-G135 WeakPolarHBondContact OD1-CA 3.49Å; D133-G135 PolarHBondContact OD1-N 3.1Å; G135-I324 CarbonylContact C-O 3.51Å; G135-I324 VanDerWaalsContact CA-O 3.27Å; G135-I324 WeakPolarHBondContact CA-O 3.22Å
136	T	97	Very high	97	Very high	73 Å²	73	39.3 Å²	39.3	45%	0.448	21%	0.208	S	C	.	.	S	Bend	trans	-110.6	10.7	177.7	58.9	0	0	0	0	111.6	I324	T136-I324 PolarHBondContact N-O 2.74Å; T136-I324 PolarHBondContact OG1-N 2.76Å
137	A	97.2	Very high	97	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	21%	0.211	C	C	.	.			trans	-64.1	141	-177.6	0	0	0	0	0	111.9	Q130 Y139 Y320 H322 I324	Q130-A137 PolarHBondContact NE2-O 3.48Å; Q130-A137 PolarHBondContact OE1-O 2.91Å; A137-Y139 HydrophobicContact CB-CD2 4.41Å; A137-Y139 HydrophobicContact CB-CE2 3.57Å; A137-Y320 HydrophobicContact CB-CD2 4.31Å; A137-Y320 HydrophobicContact CB-CE2 4.15Å; A137-H322 CarbonylContact C-O 3.57Å; A137-H322 VanDerWaalsContact CA-O 3.23Å; A137-H322 WeakPolarHBondContact CA-O 3.39Å; A137-I324 PolarHBondContact N-O 3.26Å; A137-I324 VanDerWaalsContact N-O 3.12Å
138	Q	98.1	Very high	97.1	Very high	74 Å²	74	40.2 Å²	40.2	35%	0.346	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.8	169.3	-64.1	-168.7	21.9	0	0	109.7	N68 Q130 R321 H322	N68-Q138 PolarHBondContact ND2-OE1 3.26Å; Q130-Q138 VanDerWaalsContact OE1-CA 3.29Å; Q138-R321 WeakPolarHBondContact O-CB 3.31Å; Q138-R321 PolarHBondContact O-N 2.88Å; Q138-H322 PolarHBondContact N-O 3.01Å; Q138-H322 PolarHBondContact NE2-CE1 3.1Å; Q138-H322 PolarHBondContact OE1-CE1 3.38Å; Q138-H322 PolarHBondContact OE1-NE2 3.02Å
139	Y	98.3	Very high	97	Very high	13 Å²	13	37.6 Å²	37.6	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.7	177.8	-57.4	-93.5	0	0	0	110.7	I129 Q130 D133 A137 F319 Y320 S325	I129-Y139 HydrophobicContact CG2-CD1 3.79Å; I129-Y139 HydrophobicContact CG2-CD2 3.97Å; I129-Y139 HydrophobicContact CG2-CE1 3.56Å; I129-Y139 HydrophobicContact CG2-CE2 3.75Å; I129-Y139 HydrophobicContact CG2-CG 3.99Å; Q130-Y139 HydrophobicContact CB-CD2 4.18Å; D133-Y139 HydrophobicContact CB-CE2 3.86Å; D133-Y139 PolarHBondContact OD2-OH 3.22Å; D133-Y139 VanDerWaalsContact OD2-OH 3.08Å; A137-Y139 HydrophobicContact CB-CD2 4.41Å; A137-Y139 HydrophobicContact CB-CE2 3.57Å; Y139-F319 CarbonylContact C-O 3.58Å; Y139-F319 WeakPolarHBondContact CA-O 3.19Å; Y139-F319 HydrophobicContact CD1-CB 4.28Å; Y139-Y320 HydrophobicContact CE1-CD2 4.46Å; Y139-S325 PolarHBondContact OH-OG 2.73Å
140	G	97.1	Very high	96.9	Very high	5 Å²	5	44.3 Å²	44.3	5%	0.052	24%	0.236	C	C	.	.			trans	179	-150.6	-178.2	0	0	0	0	0	112.9	T142 F319	G140-T142 PolarHBondContact O-N 3.13Å; G140-F319 PolarHBondContact N-O 3.05Å
141	V	98.1	Very high	96.9	Very high	25 Å²	25	43.5 Å²	43.5	15%	0.152	23%	0.232	C	C	.	.			trans	-68.2	119.2	-176.4	-177.8	0	0	0	0	111	F71 I94 F98 Y102 F119 M123 S145 R321	F71-V141 HydrophobicContact CE1-CG2 4.44Å; F71-V141 HydrophobicContact CE2-CG2 3.57Å; F71-V141 HydrophobicContact CZ-CG2 3.33Å; I94-V141 HydrophobicContact CG2-CG2 4.07Å; F98-V141 HydrophobicContact CB-CG1 4.17Å; F98-V141 HydrophobicContact CD2-CG1 3.51Å; F98-V141 HydrophobicContact CE2-CG1 4.38Å; F98-V141 HydrophobicContact CG-CG1 4.25Å; Y102-V141 HydrophobicContact CE2-CG1 4.04Å; F119-V141 HydrophobicContact CE2-CG1 4.09Å; F119-V141 HydrophobicContact CE2-CG2 4.08Å; F119-V141 HydrophobicContact CZ-CG1 4.42Å; F119-V141 HydrophobicContact CZ-CG2 3.69Å; M123-V141 HydrophobicContact CE-CG2 4.24Å; M123-V141 HydrophobicContact SD-CG2 3.63Å; V141-S145 WeakPolarHBondContact CA-OG 3.31Å; V141-R321 WeakPolarHBondContact O-CD 3.28Å; V141-R321 PolarHBondContact O-NE 2.84Å; V141-R321 PolarHBondContact O-NH1 2.83Å
142	T	98.4	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.			trans	-117.8	173.8	165.4	70.2	0	0	0	0	109.9	F98 G140 F144 S145 Q318	F98-T142 VanDerWaalsContact CE2-O 3.22Å; F98-T142 WeakPolarHBondContact CE2-O 3.39Å; G140-T142 PolarHBondContact O-N 3.13Å; T142-F144 PolarHBondContact O-N 2.81Å; T142-F144 PolarHBondContact OG1-N 3.31Å; T142-F144 VanDerWaalsContact OG1-N 3.16Å; T142-S145 PolarHBondContact N-OG 2.78Å; T142-S145 WeakPolarHBondContact O-CB 3.49Å; T142-S145 PolarHBondContact O-N 3.22Å; T142-S145 VanDerWaalsContact O-N 3.11Å; T142-S145 PolarHBondContact O-OG 3.38Å; T142-Q318 WeakPolarHBondContact CB-O 3.21Å; T142-Q318 VanDerWaalsContact CG2-O 3.28Å; T142-Q318 WeakPolarHBondContact CG2-O 3.25Å; T142-Q318 PolarHBondContact OG1-O 3.37Å
143	K	97.8	Very high	96.8	Very high	21 Å²	21	39.2 Å²	39.2	9%	0.091	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.6	171.1	64	175.5	166.1	-154.6	0	113.3	Y102 R104 S145 D196 W361 D364	Y102-K143 HydrophobicContact CD1-CB 3.45Å; Y102-K143 VanDerWaalsContact CD1-CB 3.45Å; Y102-K143 HydrophobicContact CE1-CB 3.56Å; Y102-K143 HydrophobicContact CG-CB 4.04Å; Y102-K143 VanDerWaalsContact CZ-N 3.33Å; R104-K143 PolarHBondContact NH2-O 3.15Å; K143-S145 VanDerWaalsContact C-N 3.31Å; K143-S145 PolarHBondContact O-N 2.78Å; K143-D196 IonicContact NZ-OD1 2.78Å; K143-D196 IonicContact NZ-OD2 2.72Å; K143-D196 PolarHBondContact NZ-OD2 2.96Å; K143-W361 WeakPolarHBondContact CE-O 3.37Å; K143-W361 PolarHBondContact NZ-O 2.82Å; K143-D364 WeakPolarHBondContact CD-OD2 3.4Å; K143-D364 IonicContact NZ-OD1 2.83Å; K143-D364 PolarHBondContact NZ-OD1 3.03Å; K143-D364 IonicContact NZ-OD2 3.93Å
144	F	98.4	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7.1	-177	-50.3	-58.9	0	0	0	114.5	T142 D146 L147 F152 Y156 Q318 W361 W365	T142-F144 PolarHBondContact O-N 2.81Å; T142-F144 PolarHBondContact OG1-N 3.31Å; T142-F144 VanDerWaalsContact OG1-N 3.16Å; F144-D146 VanDerWaalsContact C-N 3.28Å; F144-D146 PolarHBondContact O-N 2.93Å; F144-L147 HydrophobicContact CB-CD1 4.26Å; F144-L147 HydrophobicContact CD1-CD1 3.93Å; F144-L147 PolarHBondContact O-N 2.96Å; F144-F152 HydrophobicContact CB-CD2 3.91Å; F144-F152 HydrophobicContact CB-CE2 3.97Å; F144-F152 HydrophobicContact CD1-CD2 4.11Å; F144-F152 AromaticContact CD1-CE2 3.97Å; F144-F152 HydrophobicContact CD1-CE2 3.97Å; F144-F152 HydrophobicContact CD2-CD2 4.43Å; F144-F152 AromaticContact CD2-CE2 3.68Å; F144-F152 HydrophobicContact CD2-CE2 3.68Å; F144-F152 HydrophobicContact CE1-CE2 4.38Å; F144-F152 HydrophobicContact CE2-CE2 4.1Å; F144-F152 AromaticContact CG-CD2 3.9Å; F144-F152 HydrophobicContact CG-CD2 3.9Å; F144-F152 AromaticContact CG-CE2 3.59Å; F144-F152 HydrophobicContact CG-CE2 3.59Å; F144-F152 HydrophobicContact CZ-CE2 4.42Å; F144-Y156 HydrophobicContact CD1-CD2 4.35Å; F144-Y156 HydrophobicContact CD1-CE1 4.35Å; F144-Y156 HydrophobicContact CD1-CE2 4.04Å; F144-Y156 AromaticContact CE1-CD1 3.8Å; F144-Y156 HydrophobicContact CE1-CD1 3.8Å; F144-Y156 HydrophobicContact CE1-CD2 4.23Å; F144-Y156 AromaticContact CE1-CE1 3.48Å; F144-Y156 HydrophobicContact CE1-CE1 3.48Å; F144-Y156 VanDerWaalsContact CE1-CE1 3.48Å; F144-Y156 AromaticContact CE1-CE2 3.97Å; F144-Y156 HydrophobicContact CE1-CE2 3.97Å; F144-Y156 HydrophobicContact CE1-CG 4.16Å; F144-Y156 AromaticContact CE1-CZ 3.58Å; F144-Y156 HydrophobicContact CZ-CD1 4.22Å; F144-Y156 HydrophobicContact CZ-CE1 4.21Å; F144-Q318 HydrophobicContact CB-CG 3.68Å; F144-Q318 PolarHBondContact O-NE2 3.05Å; F144-W361 HydrophobicContact CD2-CE3 4.43Å; F144-W361 HydrophobicContact CE2-CB 4.18Å; F144-W361 AromaticContact CE2-CD2 3.89Å; F144-W361 HydrophobicContact CE2-CD2 3.89Å; F144-W361 AromaticContact CE2-CE3 3.54Å; F144-W361 HydrophobicContact CE2-CE3 3.54Å; F144-W361 HydrophobicContact CE2-CG 4.17Å; F144-W361 HydrophobicContact CE2-CZ3 4.3Å; F144-W361 HydrophobicContact CZ-CB 3.91Å; F144-W361 AromaticContact CZ-CD2 3.98Å; F144-W361 HydrophobicContact CZ-CD2 3.98Å; F144-W361 HydrophobicContact CZ-CE3 4.13Å; F144-W361 AromaticContact CZ-CG 3.88Å; F144-W361 HydrophobicContact CZ-CG 3.88Å; F144-W365 AromaticContact CD2-CD1 3.81Å; F144-W365 AromaticContact CE2-CD1 3.46Å; F144-W365 VanDerWaalsContact CE2-CD1 3.46Å; F144-W365 HydrophobicContact CE2-CG 4.14Å; F144-W365 AromaticContact CE2-NE1 3.97Å
145	S	98.1	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-20.4	-168.2	-57	0	0	0	0	114	F119 N122 V141 T142 K143	F119-S145 VanDerWaalsContact CA-O 3.32Å; F119-S145 WeakPolarHBondContact CA-O 3.35Å; F119-S145 VanDerWaalsContact CD2-CB 3.49Å; F119-S145 VanDerWaalsContact CE2-CB 3.47Å; N122-S145 WeakPolarHBondContact CB-O 3.43Å; N122-S145 PolarHBondContact ND2-O 2.99Å; V141-S145 WeakPolarHBondContact CA-OG 3.31Å; T142-S145 PolarHBondContact N-OG 2.78Å; T142-S145 WeakPolarHBondContact O-CB 3.49Å; T142-S145 PolarHBondContact O-N 3.22Å; T142-S145 VanDerWaalsContact O-N 3.11Å; T142-S145 PolarHBondContact O-OG 3.38Å; K143-S145 VanDerWaalsContact C-N 3.31Å; K143-S145 PolarHBondContact O-N 2.78Å
146	D	97.9	Very high	96.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	7.7	176.2	66.4	-20.7	0	0	0	113.8	F95 F98 R104 Y106 R115 V118 F144	F95-D146 HydrophobicContact CE2-CB 4.41Å; F98-D146 HydrophobicContact CE1-CB 3.61Å; F98-D146 VanDerWaalsContact CE1-CG 3.49Å; F98-D146 HydrophobicContact CZ-CB 3.84Å; F98-D146 VanDerWaalsContact CZ-CG 3.45Å; F98-D146 WeakPolarHBondContact CZ-OD1 3.14Å; R104-D146 IonicContact CZ-OD1 2.82Å; R104-D146 IonicContact NE-OD1 3.59Å; R104-D146 IonicContact NE-OD2 3.24Å; R104-D146 PolarHBondContact NE-OD2 2.93Å; R104-D146 IonicContact NH2-OD1 3.5Å; Y106-D146 WeakPolarHBondContact CE1-OD2 3.26Å; Y106-D146 PolarHBondContact OH-OD2 3.24Å; R115-D146 HydrophobicContact CB-CB 4.43Å; R115-D146 VanDerWaalsContact CD-O 3.3Å; R115-D146 WeakPolarHBondContact CD-O 3.37Å; R115-D146 PolarHBondContact NH1-O 3.46Å; V118-D146 WeakPolarHBondContact CG1-O 3.32Å; F144-D146 VanDerWaalsContact C-N 3.28Å; F144-D146 PolarHBondContact O-N 2.93Å
147	L	98.1	Very high	96.4	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.073	17%	0.166	C	C	.	.	S	Bend	trans	-94.1	134.4	175.3	-58.4	-178.8	0	0	0	111	N122 F144 E151 F152 Y156 Q318	N122-L147 PolarHBondContact ND2-O 3.44Å; F144-L147 HydrophobicContact CB-CD1 4.26Å; F144-L147 HydrophobicContact CD1-CD1 3.93Å; F144-L147 PolarHBondContact O-N 2.96Å; L147-E151 HydrophobicContact CB-CB 4.29Å; L147-E151 HydrophobicContact CD2-CB 4.48Å; L147-F152 HydrophobicContact CB-CB 4.48Å; L147-F152 HydrophobicContact CD1-CD2 4.47Å; L147-Y156 HydrophobicContact CD1-CD2 4.18Å; L147-Y156 HydrophobicContact CD1-CE2 3.49Å; L147-Y156 VanDerWaalsContact CD1-CE2 3.49Å; L147-Q318 PolarHBondContact O-NE2 2.87Å; L147-Q318 VanDerWaalsContact O-NE2 3.13Å
148	T	96.9	Very high	96.2	Very high	37 Å²	37	33.6 Å²	33.6	23%	0.227	17%	0.166	C	C	.	.			trans	-61.8	160.9	166.8	62.7	0	0	0	0	110.4	W114 V118 E150 E151 F152	W114-T148 HydrophobicContact CH2-CG2 4.25Å; W114-T148 HydrophobicContact CZ2-CG2 3.89Å; V118-T148 HydrophobicContact CG1-CG2 4.03Å; V118-T148 HydrophobicContact CG2-CG2 3.86Å; T148-E150 PolarHBondContact O-N 3.42Å; T148-E151 WeakPolarHBondContact CB-OE2 3.22Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.39Å; T148-E151 PolarHBondContact N-OE2 2.87Å; T148-E151 PolarHBondContact O-N 2.85Å; T148-E151 WeakPolarHBondContact OG1-CB 3.34Å; T148-E151 WeakPolarHBondContact OG1-CG 3.41Å; T148-E151 PolarHBondContact OG1-N 2.97Å; T148-E151 VanDerWaalsContact OG1-N 3.16Å; T148-E151 PolarHBondContact OG1-OE2 3.49Å; T148-F152 WeakPolarHBondContact O-CB 3.44Å; T148-F152 PolarHBondContact O-N 3.38Å
149	E	93.7	Very high	95.5	Very high	82 Å²	82	32.3 Å²	32.3	38%	0.383	16%	0.164	S	C	.	.	H	α-helix	trans	-58.7	-38.9	175.2	177.5	160.5	-151.1	0	0	112	R125 F152 R153	R125-E149 IonicContact CZ-OE1 3.88Å; R125-E149 IonicContact CZ-OE2 2.84Å; R125-E149 IonicContact NH1-OE1 3.49Å; R125-E149 PolarHBondContact NH1-OE1 2.93Å; R125-E149 IonicContact NH1-OE2 3.98Å; R125-E149 PolarHBondContact NH1-OE2 3.33Å; R125-E149 VanDerWaalsContact NH2-CD 3.33Å; R125-E149 IonicContact NH2-OE1 2.77Å; R125-E149 PolarHBondContact NH2-OE1 3.04Å; R125-E149 IonicContact NH2-OE2 3.66Å; E149-F152 PolarHBondContact O-N 3.26Å; E149-R153 HydrophobicContact CG-CG 4.13Å; E149-R153 VanDerWaalsContact O-CB 3.28Å; E149-R153 WeakPolarHBondContact O-CB 3.49Å; E149-R153 WeakPolarHBondContact O-CG 3.5Å; E149-R153 PolarHBondContact O-N 3.41Å
150	E	94.4	Very high	95	Very high	150 Å²	150	32.7 Å²	32.7	70%	0.701	17%	0.166	S	C	*	.	H	α-helix	trans	-66.3	-46.2	179	-175.3	171.9	-170	0	0	111.9	T148 F152 R153 T154	T148-E150 PolarHBondContact O-N 3.42Å; E150-F152 PolarHBondContact O-N 2.8Å; E150-R153 PolarHBondContact O-N 3.37Å; E150-T154 VanDerWaalsContact O-CB 3.22Å; E150-T154 WeakPolarHBondContact O-CB 3.31Å; E150-T154 PolarHBondContact O-N 3.13Å; E150-T154 PolarHBondContact O-OG1 2.87Å
151	E	96.3	Very high	94.4	Very high	43 Å²	43	32.7 Å²	32.7	20%	0.201	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-48.8	173.8	-74	167.2	134.1	0	0	110.6	R115 L147 T148 R153 T154 I155	R115-E151 IonicContact CZ-OE1 2.74Å; R115-E151 VanDerWaalsContact CZ-OE1 3.3Å; R115-E151 IonicContact CZ-OE2 3.1Å; R115-E151 VanDerWaalsContact NH1-CD 3.3Å; R115-E151 IonicContact NH1-OE1 2.78Å; R115-E151 PolarHBondContact NH1-OE1 2.84Å; R115-E151 IonicContact NH1-OE2 3.9Å; R115-E151 PolarHBondContact NH1-OE2 2.68Å; R115-E151 IonicContact NH2-OE1 3.44Å; R115-E151 PolarHBondContact NH2-OE1 3.03Å; L147-E151 HydrophobicContact CB-CB 4.29Å; L147-E151 HydrophobicContact CD2-CB 4.48Å; T148-E151 WeakPolarHBondContact CB-OE2 3.22Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.39Å; T148-E151 PolarHBondContact N-OE2 2.87Å; T148-E151 PolarHBondContact O-N 2.85Å; T148-E151 WeakPolarHBondContact OG1-CB 3.34Å; T148-E151 WeakPolarHBondContact OG1-CG 3.41Å; T148-E151 PolarHBondContact OG1-N 2.97Å; T148-E151 VanDerWaalsContact OG1-N 3.16Å; T148-E151 PolarHBondContact OG1-OE2 3.49Å; E151-R153 PolarHBondContact O-N 3.19Å; E151-T154 PolarHBondContact O-N 2.79Å; E151-I155 HydrophobicContact CB-CD1 4.15Å; E151-I155 VanDerWaalsContact O-CB 3.26Å; E151-I155 WeakPolarHBondContact O-CB 3.37Å; E151-I155 WeakPolarHBondContact O-CD1 3.41Å; E151-I155 WeakPolarHBondContact O-CG1 3.47Å; E151-I155 PolarHBondContact O-N 3.15Å
152	F	96.4	Very high	93.8	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-48.2	-179.4	-177.2	-102.4	0	0	0	112	F144 L147 T148 E149 E150 T154 Y156 L157 Q318 W361	F144-F152 HydrophobicContact CB-CD2 3.91Å; F144-F152 HydrophobicContact CB-CE2 3.97Å; F144-F152 HydrophobicContact CD1-CD2 4.11Å; F144-F152 AromaticContact CD1-CE2 3.97Å; F144-F152 HydrophobicContact CD1-CE2 3.97Å; F144-F152 HydrophobicContact CD2-CD2 4.43Å; F144-F152 AromaticContact CD2-CE2 3.68Å; F144-F152 HydrophobicContact CD2-CE2 3.68Å; F144-F152 HydrophobicContact CE1-CE2 4.38Å; F144-F152 HydrophobicContact CE2-CE2 4.1Å; F144-F152 AromaticContact CG-CD2 3.9Å; F144-F152 HydrophobicContact CG-CD2 3.9Å; F144-F152 AromaticContact CG-CE2 3.59Å; F144-F152 HydrophobicContact CG-CE2 3.59Å; F144-F152 HydrophobicContact CZ-CE2 4.42Å; L147-F152 HydrophobicContact CB-CB 4.48Å; L147-F152 HydrophobicContact CD1-CD2 4.47Å; T148-F152 WeakPolarHBondContact O-CB 3.44Å; T148-F152 PolarHBondContact O-N 3.38Å; E149-F152 PolarHBondContact O-N 3.26Å; E150-F152 PolarHBondContact O-N 2.8Å; F152-T154 VanDerWaalsContact C-N 3.33Å; F152-T154 PolarHBondContact O-N 2.92Å; F152-Y156 AromaticContact CD2-CD2 3.93Å; F152-Y156 HydrophobicContact CD2-CD2 3.93Å; F152-Y156 HydrophobicContact CD2-CG 4.4Å; F152-Y156 HydrophobicContact CE2-CD2 4.34Å; F152-Y156 HydrophobicContact CE2-CG 4.38Å; F152-Y156 PolarHBondContact O-N 2.91Å; F152-L157 HydrophobicContact CD1-CD1 4.24Å; F152-L157 HydrophobicContact CD1-CG 4.37Å; F152-L157 HydrophobicContact CE1-CD1 4.08Å; F152-L157 HydrophobicContact CE1-CD2 3.97Å; F152-L157 HydrophobicContact CE1-CG 4.12Å; F152-L157 HydrophobicContact CZ-CD2 4.32Å; F152-Q318 HydrophobicContact CD1-CB 4.13Å; F152-Q318 HydrophobicContact CD1-CG 4.21Å; F152-Q318 HydrophobicContact CD2-CB 4.41Å; F152-Q318 HydrophobicContact CD2-CG 3.84Å; F152-Q318 HydrophobicContact CE1-CB 3.84Å; F152-Q318 HydrophobicContact CE1-CG 4.29Å; F152-Q318 HydrophobicContact CE2-CB 4.15Å; F152-Q318 HydrophobicContact CE2-CG 3.94Å; F152-Q318 HydrophobicContact CG-CB 4.4Å; F152-Q318 HydrophobicContact CG-CG 3.97Å; F152-Q318 HydrophobicContact CZ-CB 3.84Å; F152-Q318 HydrophobicContact CZ-CG 4.15Å; F152-W361 HydrophobicContact CE1-CH2 4.31Å; F152-W361 HydrophobicContact CE2-CH2 4.4Å; F152-W361 HydrophobicContact CE2-CZ3 4.49Å; F152-W361 AromaticContact CZ-CH2 3.52Å; F152-W361 HydrophobicContact CZ-CH2 3.52Å; F152-W361 AromaticContact CZ-CZ2 3.95Å; F152-W361 HydrophobicContact CZ-CZ2 3.95Å; F152-W361 AromaticContact CZ-CZ3 3.86Å; F152-W361 HydrophobicContact CZ-CZ3 3.86Å
153	R	93.5	Very high	92.8	Very high	73 Å²	73	43.4 Å²	43.4	28%	0.275	21%	0.206	S	C	.	.	H	α-helix	trans	-65.6	-33.8	179.5	-70.9	-178.9	72.8	75.3	15.8	112.9	E149 E150 E151 L157 D338	E149-R153 HydrophobicContact CG-CG 4.13Å; E149-R153 VanDerWaalsContact O-CB 3.28Å; E149-R153 WeakPolarHBondContact O-CB 3.49Å; E149-R153 WeakPolarHBondContact O-CG 3.5Å; E149-R153 PolarHBondContact O-N 3.41Å; E150-R153 PolarHBondContact O-N 3.37Å; E151-R153 PolarHBondContact O-N 3.19Å; R153-L157 HydrophobicContact CB-CD1 4.32Å; R153-L157 HydrophobicContact CG-CD1 3.93Å; R153-L157 WeakPolarHBondContact O-CB 3.48Å; R153-D338 IonicContact CZ-OD2 3.5Å; R153-D338 IonicContact NH1-OD2 2.87Å; R153-D338 PolarHBondContact NH1-OD2 2.69Å; R153-D338 IonicContact NH2-OD2 2.83Å; R153-D338 PolarHBondContact NH2-OD2 3.38Å
154	T	92.5	Very high	91.9	Very high	98 Å²	98	47 Å²	47	60%	0.601	22%	0.224	S	C	*	.	H	α-helix	trans	-81	-36.3	-177.1	-56.6	0	0	0	0	111.8	E150 E151 F152	E150-T154 VanDerWaalsContact O-CB 3.22Å; E150-T154 WeakPolarHBondContact O-CB 3.31Å; E150-T154 PolarHBondContact O-N 3.13Å; E150-T154 PolarHBondContact O-OG1 2.87Å; E151-T154 PolarHBondContact O-N 2.79Å; F152-T154 VanDerWaalsContact C-N 3.33Å; F152-T154 PolarHBondContact O-N 2.92Å
155	I	93.1	Very high	90.7	Very high	36 Å²	36	52.7 Å²	52.7	19%	0.185	26%	0.26	C	S	.	.	H	α-helix	trans	-89.8	-41.2	-171.9	-62.6	165.9	0	0	0	111.9	E151 M199 C200 G201	E151-I155 HydrophobicContact CB-CD1 4.15Å; E151-I155 VanDerWaalsContact O-CB 3.26Å; E151-I155 WeakPolarHBondContact O-CB 3.37Å; E151-I155 WeakPolarHBondContact O-CD1 3.41Å; E151-I155 WeakPolarHBondContact O-CG1 3.47Å; E151-I155 PolarHBondContact O-N 3.15Å; I155-M199 HydrophobicContact CD1-CE 4.2Å; I155-M199 VanDerWaalsContact CG2-CA 3.41Å; I155-M199 HydrophobicContact CG2-CB 3.62Å; I155-M199 HydrophobicContact CG2-CE 4.44Å; I155-M199 HydrophobicContact CG2-CG 3.91Å; I155-C200 CarbonylContact O-C 3.57Å; I155-C200 PolarHBondContact O-N 3.09Å; I155-G201 PolarHBondContact O-N 2.62Å
156	Y	95.3	Very high	89.7	Confident	17 Å²	17	54.1 Å²	54.1	7%	0.067	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-16	-168	-63.9	-84.1	0	0	0	114.3	F144 L147 F152 Q197 G198	F144-Y156 HydrophobicContact CD1-CD2 4.35Å; F144-Y156 HydrophobicContact CD1-CE1 4.35Å; F144-Y156 HydrophobicContact CD1-CE2 4.04Å; F144-Y156 AromaticContact CE1-CD1 3.8Å; F144-Y156 HydrophobicContact CE1-CD1 3.8Å; F144-Y156 HydrophobicContact CE1-CD2 4.23Å; F144-Y156 AromaticContact CE1-CE1 3.48Å; F144-Y156 HydrophobicContact CE1-CE1 3.48Å; F144-Y156 VanDerWaalsContact CE1-CE1 3.48Å; F144-Y156 AromaticContact CE1-CE2 3.97Å; F144-Y156 HydrophobicContact CE1-CE2 3.97Å; F144-Y156 HydrophobicContact CE1-CG 4.16Å; F144-Y156 AromaticContact CE1-CZ 3.58Å; F144-Y156 HydrophobicContact CZ-CD1 4.22Å; F144-Y156 HydrophobicContact CZ-CE1 4.21Å; L147-Y156 HydrophobicContact CD1-CD2 4.18Å; L147-Y156 HydrophobicContact CD1-CE2 3.49Å; L147-Y156 VanDerWaalsContact CD1-CE2 3.49Å; F152-Y156 AromaticContact CD2-CD2 3.93Å; F152-Y156 HydrophobicContact CD2-CD2 3.93Å; F152-Y156 HydrophobicContact CD2-CG 4.4Å; F152-Y156 HydrophobicContact CE2-CD2 4.34Å; F152-Y156 HydrophobicContact CE2-CG 4.38Å; F152-Y156 PolarHBondContact O-N 2.91Å; Y156-Q197 PolarHBondContact O-NE2 3.31Å; Y156-G198 VanDerWaalsContact CD1-O 3.27Å; Y156-G198 WeakPolarHBondContact CD1-O 3.42Å; Y156-G198 WeakPolarHBondContact CE1-O 3.37Å
157	L	95.2	Very high	89.1	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.037	29%	0.29	C	S	.	.			trans	-107.4	173.8	-177.9	-52.5	-171.5	0	0	0	111.1	F152 R153 A314 D338 H339 W361	F152-L157 HydrophobicContact CD1-CD1 4.24Å; F152-L157 HydrophobicContact CD1-CG 4.37Å; F152-L157 HydrophobicContact CE1-CD1 4.08Å; F152-L157 HydrophobicContact CE1-CD2 3.97Å; F152-L157 HydrophobicContact CE1-CG 4.12Å; F152-L157 HydrophobicContact CZ-CD2 4.32Å; R153-L157 HydrophobicContact CB-CD1 4.32Å; R153-L157 HydrophobicContact CG-CD1 3.93Å; R153-L157 WeakPolarHBondContact O-CB 3.48Å; L157-A314 HydrophobicContact CD1-CB 4.38Å; L157-A314 HydrophobicContact CD2-CB 3.85Å; L157-D338 WeakPolarHBondContact CB-O 3.22Å; L157-D338 HydrophobicContact CD1-CB 4.49Å; L157-H339 HydrophobicContact CD2-CB 4.18Å; L157-W361 HydrophobicContact CD2-CH2 4.2Å; L157-W361 HydrophobicContact CD2-CZ2 3.71Å
158	N	92.8	Very high	88.7	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	33%	0.331	C	S	.	.			trans	-129.8	100.7	-176.6	175.2	-0.1	0	0	0	110.3	L160 L161 C203 G243 G244 D338	N158-L160 PolarHBondContact O-N 3.42Å; N158-L160 WeakPolarHBondContact OD1-CB 3.35Å; N158-L160 PolarHBondContact OD1-N 3.32Å; N158-L161 HydrophobicContact CB-CD1 4.02Å; N158-L161 HydrophobicContact CB-CG 4.36Å; N158-C203 VanDerWaalsContact CB-SG 3.55Å; N158-G243 WeakPolarHBondContact OD1-CA 3.41Å; N158-G244 PolarHBondContact ND2-N 3.49Å; N158-G244 VanDerWaalsContact ND2-N 3.17Å; N158-G244 PolarHBondContact ND2-O 2.71Å; N158-D338 PolarHBondContact N-O 2.89Å; N158-D338 CarbonylContact O-C 3.48Å; N158-D338 WeakPolarHBondContact O-CA 3.49Å
159	T	83.7	Confident	88.7	Confident	48 Å²	48	66.5 Å²	66.5	29%	0.294	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.9	-177.9	75.3	0	0	0	0	114.3	K163	T159-K163 WeakPolarHBondContact O-CD 3.49Å; T159-K163 WeakPolarHBondContact O-CG 3.45Å; T159-K163 PolarHBondContact OG1-NZ 3.35Å
160	L	87.6	Confident	88.8	Confident	20 Å²	20	69.1 Å²	69.1	11%	0.105	34%	0.339	C	S	.	.	H	α-helix	trans	-74.2	-28.6	-179.6	-57.4	-175.8	0	0	0	112.4	N158 R162 K163 E164 K239	N158-L160 PolarHBondContact O-N 3.42Å; N158-L160 WeakPolarHBondContact OD1-CB 3.35Å; N158-L160 PolarHBondContact OD1-N 3.32Å; L160-R162 PolarHBondContact O-N 3.47Å; L160-K163 PolarHBondContact O-N 3.01Å; L160-E164 HydrophobicContact CB-CG 4.25Å; L160-E164 HydrophobicContact CD2-CG 4.13Å; L160-E164 PolarHBondContact O-N 2.89Å; L160-K239 HydrophobicContact CD1-CD 4.1Å; L160-K239 HydrophobicContact CD1-CG 4.31Å
161	L	85.3	Confident	88.9	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-53.7	-30.3	179.9	-70	166.1	0	0	0	113.6	N158 L245 A311 I337 A340 M385	N158-L161 HydrophobicContact CB-CD1 4.02Å; N158-L161 HydrophobicContact CB-CG 4.36Å; L161-L245 HydrophobicContact CD2-CD2 3.95Å; L161-A311 HydrophobicContact CD1-CB 4.27Å; L161-A311 HydrophobicContact CD2-CB 4.31Å; L161-I337 HydrophobicContact CB-CD1 4.34Å; L161-I337 HydrophobicContact CB-CG1 4.24Å; L161-A340 HydrophobicContact CD1-CB 4.25Å; L161-M385 HydrophobicContact CD2-SD 3.75Å; L161-M385 WeakPolarHBondContact O-CE 3.38Å
162	R	83.5	Confident	88.9	Confident	129 Å²	129	67 Å²	67	49%	0.487	33%	0.333	S	S	.	.	H	α-helix	trans	-90.5	-25.7	175.6	177.4	177	64.5	148.6	-3.2	113.8	L160 W335	L160-R162 PolarHBondContact O-N 3.47Å; R162-W335 WeakPolarHBondContact CD-O 3.37Å; R162-W335 WeakPolarHBondContact CG-O 3.42Å
163	K	79.3	Confident	88.7	Confident	122 Å²	122	75.6 Å²	75.6	53%	0.53	37%	0.371	S	S	.	.	H	α-helix	trans	-97.7	-36.2	-163.8	-68.3	175.5	-178.6	168.8	0	113.1	T159 L160	T159-K163 WeakPolarHBondContact O-CD 3.49Å; T159-K163 WeakPolarHBondContact O-CG 3.45Å; T159-K163 PolarHBondContact OG1-NZ 3.35Å; L160-K163 PolarHBondContact O-N 3.01Å
164	E	78.7	Confident	88.4	Confident	97 Å²	97	76.3 Å²	76.3	45%	0.453	39%	0.387	S	S	.	.			trans	-107.6	131.8	-167	-62.5	-62.3	159.9	0	0	111	L160 G166 L245	L160-E164 HydrophobicContact CB-CG 4.25Å; L160-E164 HydrophobicContact CD2-CG 4.13Å; L160-E164 PolarHBondContact O-N 2.89Å; E164-G166 PolarHBondContact O-N 2.87Å; E164-L245 HydrophobicContact CB-CD1 3.95Å
165	P	72.7	Confident	88.4	Confident	119 Å²	119	73 Å²	73	77%	0.773	37%	0.367	S	S	*	.			trans	-71.8	119.5	166.7	30.2	-30.4	0	0	0	108.6
166	G	77.6	Confident	88.2	Confident	30 Å²	30	72.9 Å²	72.9	31%	0.309	37%	0.374	S	S	.	.			trans	-77.7	179.1	174.2	0	0	0	0	0	113.1	E164 K168 S247	E164-G166 PolarHBondContact O-N 2.87Å; G166-K168 PolarHBondContact O-N 2.86Å; G166-S247 WeakPolarHBondContact CA-OG 3.5Å
167	N	85.8	Confident	87.7	Confident	60 Å²	60	76.5 Å²	76.5	32%	0.321	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-53.9	136.6	169.9	-73.2	-33.5	0	0	0	111.4	M169 M237 S247 N248 S251	N167-M169 PolarHBondContact O-N 2.74Å; N167-M237 PolarHBondContact ND2-SD 3.02Å; N167-S247 PolarHBondContact N-OG 2.79Å; N167-S247 VanDerWaalsContact O-CB 3.29Å; N167-S247 WeakPolarHBondContact O-CB 3.37Å; N167-S247 PolarHBondContact O-OG 3.2Å; N167-N248 PolarHBondContact N-OD1 3.14Å; N167-N248 PolarHBondContact ND2-OD1 2.88Å; N167-S251 WeakPolarHBondContact ND2-CB 3.37Å; N167-S251 PolarHBondContact ND2-OG 3.45Å; N167-S251 VanDerWaalsContact ND2-OG 3.14Å
168	K	89.5	Confident	87.5	Confident	215 Å²	215	83.2 Å²	83.2	94%	0.935	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-70.1	116.8	176	-70.9	-173	179.8	-179.2	0	109.7	G166	G166-K168 PolarHBondContact O-N 2.86Å
169	M	95.3	Very high	87.5	Confident	38 Å²	38	84.9 Å²	84.9	19%	0.187	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-89.7	154.1	171.3	-66.2	179.3	-66.3	0	0	110.6	N167 Y250 E290	N167-M169 PolarHBondContact O-N 2.74Å; M169-Y250 HydrophobicContact SD-CD2 4.11Å; M169-Y250 HydrophobicContact SD-CE2 4.47Å; M169-E290 HydrophobicContact CB-CB 4.14Å; M169-E290 HydrophobicContact CE-CB 4.11Å; M169-E290 HydrophobicContact CE-CG 4.47Å
170	K	96.1	Very high	88.2	Confident	137 Å²	137	85 Å²	85	60%	0.596	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	148.8	170.9	-66.5	171.8	-170.3	151.6	0	109.3	D287 V289 E290	K170-D287 IonicContact NZ-OD2 2.84Å; K170-D287 PolarHBondContact NZ-OD2 3.31Å; K170-V289 CarbonylContact O-C 3.58Å; K170-V289 VanDerWaalsContact O-CA 3.23Å; K170-V289 WeakPolarHBondContact O-CA 3.47Å; K170-V289 WeakPolarHBondContact O-CB 3.29Å; K170-E290 PolarHBondContact O-N 3.28Å
171	Q	96.9	Very high	88.5	Confident	124 Å²	124	89.7 Å²	89.7	58%	0.579	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.2	172.5	-71.7	-65.9	-17.8	0	0	110.5	E290	Q171-E290 PolarHBondContact NE2-OE2 3.02Å; Q171-E290 PolarHBondContact OE1-O 3.45Å
172	A	96.4	Very high	89.1	Confident	25 Å²	25	96 Å²	96	21%	0.207	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-64.4	143.6	177.7	0	0	0	0	0	111.9	V289 E290 L291 W301	A172-V289 HydrophobicContact CB-CB 3.92Å; A172-V289 HydrophobicContact CB-CG2 3.83Å; A172-E290 WeakPolarHBondContact CB-O 3.4Å; A172-E290 PolarHBondContact N-O 3.09Å; A172-L291 HydrophobicContact CB-CD2 3.53Å; A172-W301 HydrophobicContact CB-CE3 4.25Å; A172-W301 HydrophobicContact CB-CH2 3.72Å; A172-W301 HydrophobicContact CB-CZ2 4.45Å; A172-W301 HydrophobicContact CB-CZ3 3.62Å
173	K	92.8	Very high	89.8	Confident	186 Å²	186	92.7 Å²	92.7	81%	0.809	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-65.7	137.1	170.3	-66.8	-179.9	-178.7	174.2	0	109.3	V175 W301	K173-V175 PolarHBondContact O-N 3.36Å; K173-W301 WeakPolarHBondContact O-CZ3 3.23Å
174	S	87.4	Confident	90.8	Very high	89 Å²	89	89 Å²	89	62%	0.622	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-58.3	136.4	175.4	-176.3	0	0	0	0	110.9	G176	S174-G176 PolarHBondContact OG-N 2.93Å
175	V	91.8	Very high	91.7	Very high	29 Å²	29	85.3 Å²	85.3	18%	0.176	46%	0.462	C	S	.	.			trans	-102.1	17	173.3	-61.6	0	0	0	0	112.1	K173 A300 W301 K304 R305	K173-V175 PolarHBondContact O-N 3.36Å; V175-A300 HydrophobicContact CG2-CB 4.29Å; V175-W301 HydrophobicContact CG1-CE3 3.61Å; V175-W301 HydrophobicContact CG1-CZ3 3.7Å; V175-W301 HydrophobicContact CG2-CB 4.26Å; V175-W301 HydrophobicContact CG2-CE3 4.12Å; V175-K304 HydrophobicContact CB-CD 4.07Å; V175-K304 HydrophobicContact CG2-CD 4.12Å; V175-K304 PolarHBondContact O-NZ 2.83Å; V175-R305 HydrophobicContact CG1-CG 4Å
176	G	88.9	Confident	93	Very high	32 Å²	32	83 Å²	83	33%	0.33	44%	0.437	S	S	.	.			trans	78	172.4	-171.2	0	0	0	0	0	113	S174 A300	S174-G176 PolarHBondContact OG-N 2.93Å; G176-A300 VanDerWaalsContact O-CB 3.23Å; G176-A300 WeakPolarHBondContact O-CB 3.45Å
177	D	84.5	Confident	93.9	Very high	93 Å²	93	86 Å²	86	50%	0.497	45%	0.454	S	S	.	.	S	Bend	trans	-98.7	-11.2	-172.4	-57	-41.2	0	0	0	113.6	A179 K297	D177-A179 PolarHBondContact O-N 3.02Å; D177-K297 WeakPolarHBondContact OD1-CE 3.5Å; D177-K297 VanDerWaalsContact OD1-CG 3.3Å; D177-K297 WeakPolarHBondContact OD1-CG 3.47Å
178	L	90.9	Very high	94.5	Very high	148 Å²	148	87.4 Å²	87.4	78%	0.775	46%	0.457	S	S	*	.			trans	-76.7	108.9	179.8	-66.8	172.8	0	0	0	110.6	K304	L178-K304 VanDerWaalsContact O-CE 3.25Å; L178-K304 WeakPolarHBondContact O-CE 3.36Å; L178-K304 PolarHBondContact O-NZ 3.37Å
179	A	93.9	Very high	94.9	Very high	37 Å²	37	78.6 Å²	78.6	31%	0.306	43%	0.427	S	S	.	.			trans	-111.9	141.2	169	0	0	0	0	0	109.1	D177 A299 A300 Y346	D177-A179 PolarHBondContact O-N 3.02Å; A179-A299 HydrophobicContact CB-CB 3.97Å; A179-A300 HydrophobicContact CB-CB 4.04Å; A179-Y346 WeakPolarHBondContact CB-OH 3.34Å
180	P	96.4	Very high	95	Very high	51 Å²	51	76.8 Å²	76.8	33%	0.331	42%	0.418	S	S	.	.			trans	-54	156.7	168.4	-25.1	34.8	0	0	0	111.4	E182 W183 A303 Y346	P180-E182 PolarHBondContact O-N 3.07Å; P180-W183 HydrophobicContact CB-CE3 4.34Å; P180-W183 HydrophobicContact CG-CE3 3.9Å; P180-W183 HydrophobicContact CG-CZ3 4.15Å; P180-A303 HydrophobicContact CG-CB 4.42Å; P180-Y346 WeakPolarHBondContact CD-OH 3.4Å; P180-Y346 WeakPolarHBondContact O-CE2 3.12Å; P180-Y346 PolarHBondContact O-OH 3.48Å
181	P	95.4	Very high	95.2	Very high	117 Å²	117	71 Å²	71	76%	0.76	40%	0.395	S	S	*	.	S	Bend	trans	-58.7	-32.2	179.6	-25.5	34.9	0	0	0	114.1
182	E	97.9	Very high	95.2	Very high	138 Å²	138	65.8 Å²	65.8	65%	0.645	37%	0.371	S	S	*	.			trans	-142.3	151.1	177.4	61.8	-177.7	-168.2	0	0	110.6	P180 Y346	P180-E182 PolarHBondContact O-N 3.07Å; E182-Y346 WeakPolarHBondContact CA-O 3.47Å
183	W	98.6	Very high	95.3	Very high	59 Å²	59	73.6 Å²	73.6	22%	0.223	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	137.4	175.5	-164.8	-92.7	0	0	0	110.5	P180 W185 K188 L302 A303 G345 Y346	P180-W183 HydrophobicContact CB-CE3 4.34Å; P180-W183 HydrophobicContact CG-CE3 3.9Å; P180-W183 HydrophobicContact CG-CZ3 4.15Å; W183-W185 AromaticContact CD1-CD1 3.8Å; W183-W185 AromaticContact CD1-CE2 3.94Å; W183-W185 AromaticContact CD1-NE1 3.58Å; W183-W185 AromaticContact CE2-CZ2 3.97Å; W183-W185 HydrophobicContact CZ2-CH2 4.02Å; W183-W185 AromaticContact CZ2-CZ2 3.96Å; W183-W185 HydrophobicContact CZ2-CZ2 3.96Å; W183-W185 AromaticContact NE1-CD1 3.73Å; W183-W185 AromaticContact NE1-CD2 3.57Å; W183-W185 AromaticContact NE1-CE2 3.09Å; W183-W185 AromaticContact NE1-CG 3.94Å; W183-W185 AromaticContact NE1-CZ2 3.4Å; W183-W185 AromaticContact NE1-NE1 3.2Å; W183-W185 VanDerWaalsContact NE1-NE1 3.2Å; W183-K188 HydrophobicContact CD2-CD 4.35Å; W183-K188 VanDerWaalsContact CE2-CE 3.4Å; W183-K188 HydrophobicContact CH2-CD 4.09Å; W183-K188 HydrophobicContact CZ2-CD 3.44Å; W183-K188 VanDerWaalsContact CZ2-CD 3.44Å; W183-L302 HydrophobicContact CB-CD2 4.47Å; W183-L302 HydrophobicContact CG-CD2 4.4Å; W183-A303 HydrophobicContact CB-CB 4.24Å; W183-A303 HydrophobicContact CD2-CB 3.87Å; W183-A303 HydrophobicContact CE3-CB 4.25Å; W183-A303 HydrophobicContact CG-CB 3.89Å; W183-A303 WeakPolarHBondContact CZ2-O 3.13Å; W183-G345 CarbonylContact O-C 3.48Å; W183-G345 WeakPolarHBondContact O-CA 3.47Å; W183-Y346 HydrophobicContact CB-CD1 4.23Å; W183-Y346 HydrophobicContact CB-CE1 3.61Å; W183-Y346 HydrophobicContact CB-CE2 4.39Å; W183-Y346 PolarHBondContact N-O 3.41Å; W183-Y346 PolarHBondContact O-N 2.94Å; W183-Y346 VanDerWaalsContact O-O 3.1Å
184	D	98.6	Very high	95.6	Very high	44 Å²	44	65.7 Å²	65.7	24%	0.235	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	108.7	179.2	-169.4	-15.8	0	0	0	111.7	R186 S187	D184-R186 VanDerWaalsContact CG-NE 3.3Å; D184-R186 PolarHBondContact O-N 3.05Å; D184-R186 WeakPolarHBondContact OD1-CB 3.12Å; D184-R186 VanDerWaalsContact OD1-CG 3.22Å; D184-R186 WeakPolarHBondContact OD1-CG 3.11Å; D184-R186 IonicContact OD1-CZ 2.95Å; D184-R186 PolarHBondContact OD1-N 2.92Å; D184-R186 IonicContact OD1-NE 2.88Å; D184-R186 PolarHBondContact OD1-NE 3.29Å; D184-R186 IonicContact OD1-NH2 2.89Å; D184-R186 IonicContact OD2-CZ 3.56Å; D184-R186 IonicContact OD2-NE 2.92Å; D184-R186 PolarHBondContact OD2-NE 3.14Å; D184-R186 IonicContact OD2-NH2 3.55Å; D184-R186 PolarHBondContact OD2-NH2 2.03Å; D184-S187 PolarHBondContact O-N 3.4Å; D184-S187 PolarHBondContact O-OG 3.45Å
185	W	98.8	Very high	96.2	Very high	21 Å²	21	63 Å²	63	8%	0.08	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-68	-18	-179.8	-79.7	113.6	0	0	0	114.3	W183 S187 K188 G189 A190 V191 L218 L302 G306 P307 V344	W183-W185 AromaticContact CD1-CD1 3.8Å; W183-W185 AromaticContact CD1-CE2 3.94Å; W183-W185 AromaticContact CD1-NE1 3.58Å; W183-W185 AromaticContact CE2-CZ2 3.97Å; W183-W185 HydrophobicContact CZ2-CH2 4.02Å; W183-W185 AromaticContact CZ2-CZ2 3.96Å; W183-W185 HydrophobicContact CZ2-CZ2 3.96Å; W183-W185 AromaticContact NE1-CD1 3.73Å; W183-W185 AromaticContact NE1-CD2 3.57Å; W183-W185 AromaticContact NE1-CE2 3.09Å; W183-W185 AromaticContact NE1-CG 3.94Å; W183-W185 AromaticContact NE1-CZ2 3.4Å; W183-W185 AromaticContact NE1-NE1 3.2Å; W183-W185 VanDerWaalsContact NE1-NE1 3.2Å; W185-S187 VanDerWaalsContact C-N 3.3Å; W185-S187 PolarHBondContact O-N 2.8Å; W185-K188 HydrophobicContact CE3-CB 3.61Å; W185-K188 HydrophobicContact CE3-CD 4.06Å; W185-K188 HydrophobicContact CE3-CG 4.46Å; W185-K188 HydrophobicContact CZ3-CB 3.95Å; W185-K188 HydrophobicContact CZ3-CD 4.13Å; W185-K188 CarbonylContact O-C 3.55Å; W185-K188 PolarHBondContact O-N 3.04Å; W185-K188 VanDerWaalsContact O-N 3.1Å; W185-G189 PolarHBondContact O-N 2.86Å; W185-G189 VanDerWaalsContact O-N 3.16Å; W185-A190 HydrophobicContact CB-CB 4.11Å; W185-A190 HydrophobicContact CD2-CB 3.87Å; W185-A190 HydrophobicContact CE3-CB 3.35Å; W185-A190 HydrophobicContact CG-CB 4.21Å; W185-A190 HydrophobicContact CZ3-CB 4.06Å; W185-A190 PolarHBondContact O-N 3.09Å; W185-V191 HydrophobicContact CB-CG2 3.62Å; W185-L218 HydrophobicContact CE3-CD1 4.33Å; W185-L218 HydrophobicContact CH2-CD1 4Å; W185-L218 HydrophobicContact CH2-CD2 3.65Å; W185-L218 HydrophobicContact CH2-CG 3.94Å; W185-L218 HydrophobicContact CZ2-CD1 4.31Å; W185-L218 HydrophobicContact CZ2-CD2 3.87Å; W185-L218 HydrophobicContact CZ2-CG 4.48Å; W185-L218 HydrophobicContact CZ3-CD1 4.01Å; W185-L218 HydrophobicContact CZ3-CD2 4.41Å; W185-L218 HydrophobicContact CZ3-CG 4.21Å; W185-L302 PolarHBondContact NE1-O 3.39Å; W185-G306 VanDerWaalsContact CE2-CA 3.47Å; W185-G306 VanDerWaalsContact NE1-CA 3.29Å; W185-P307 HydrophobicContact CB-CG 4.03Å; W185-P307 HydrophobicContact CG-CG 4.01Å; W185-V344 WeakPolarHBondContact CB-O 2.95Å; W185-V344 PolarHBondContact N-O 3.38Å
186	R	98.6	Very high	96.5	Very high	69 Å²	69	64.7 Å²	64.7	26%	0.26	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-62.4	-42.1	175.2	-58.3	173.1	-67.3	-172.2	0.7	110.9	D184 K188 V191 V344 Y370 Y372	D184-R186 VanDerWaalsContact CG-NE 3.3Å; D184-R186 PolarHBondContact O-N 3.05Å; D184-R186 WeakPolarHBondContact OD1-CB 3.12Å; D184-R186 VanDerWaalsContact OD1-CG 3.22Å; D184-R186 WeakPolarHBondContact OD1-CG 3.11Å; D184-R186 IonicContact OD1-CZ 2.95Å; D184-R186 PolarHBondContact OD1-N 2.92Å; D184-R186 IonicContact OD1-NE 2.88Å; D184-R186 PolarHBondContact OD1-NE 3.29Å; D184-R186 IonicContact OD1-NH2 2.89Å; D184-R186 IonicContact OD2-CZ 3.56Å; D184-R186 IonicContact OD2-NE 2.92Å; D184-R186 PolarHBondContact OD2-NE 3.14Å; D184-R186 IonicContact OD2-NH2 3.55Å; D184-R186 PolarHBondContact OD2-NH2 2.03Å; R186-K188 PolarHBondContact O-N 2.89Å; R186-V191 HydrophobicContact CG-CB 4.12Å; R186-V191 HydrophobicContact CG-CG1 4.17Å; R186-V191 HydrophobicContact CG-CG2 4.09Å; R186-V344 HydrophobicContact CG-CG2 4.24Å; R186-Y370 VanDerWaalsContact CD-CZ 3.41Å; R186-Y370 WeakPolarHBondContact CD-OH 3.46Å; R186-Y370 HydrophobicContact CG-CE1 4.22Å; R186-Y372 PolarHBondContact NH1-OH 3.12Å; R186-Y372 PolarHBondContact NH2-OH 2.83Å; R186-Y372 VanDerWaalsContact NH2-OH 3.15Å
187	S	97.9	Very high	96.9	Very high	94 Å²	94	63.1 Å²	63.1	66%	0.657	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-74	-11.9	176.9	70.3	0	0	0	0	113.8	D184 W185	D184-S187 PolarHBondContact O-N 3.4Å; D184-S187 PolarHBondContact O-OG 3.45Å; W185-S187 VanDerWaalsContact C-N 3.3Å; W185-S187 PolarHBondContact O-N 2.8Å
188	K	98.1	Very high	97.5	Very high	90 Å²	90	60 Å²	60	39%	0.391	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-110.1	4.6	-174.8	-63.1	178.9	-178	-66.7	0	113.3	W183 W185 R186 F217	W183-K188 HydrophobicContact CD2-CD 4.35Å; W183-K188 VanDerWaalsContact CE2-CE 3.4Å; W183-K188 HydrophobicContact CH2-CD 4.09Å; W183-K188 HydrophobicContact CZ2-CD 3.44Å; W183-K188 VanDerWaalsContact CZ2-CD 3.44Å; W185-K188 HydrophobicContact CE3-CB 3.61Å; W185-K188 HydrophobicContact CE3-CD 4.06Å; W185-K188 HydrophobicContact CE3-CG 4.46Å; W185-K188 HydrophobicContact CZ3-CB 3.95Å; W185-K188 HydrophobicContact CZ3-CD 4.13Å; W185-K188 CarbonylContact O-C 3.55Å; W185-K188 PolarHBondContact O-N 3.04Å; W185-K188 VanDerWaalsContact O-N 3.1Å; R186-K188 PolarHBondContact O-N 2.89Å; K188-F217 WeakPolarHBondContact O-CE1 3.33Å; K188-F217 VanDerWaalsContact O-CZ 3.3Å; K188-F217 WeakPolarHBondContact O-CZ 3.42Å
189	G	97.3	Very high	97.7	Very high	29 Å²	29	59.7 Å²	59.7	30%	0.299	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	6.5	174	0	0	0	0	0	115.9	W185 F217 L223	W185-G189 PolarHBondContact O-N 2.86Å; W185-G189 VanDerWaalsContact O-N 3.16Å; G189-F217 WeakPolarHBondContact O-CD2 3.41Å; G189-F217 WeakPolarHBondContact O-CE2 3.33Å; G189-L223 WeakPolarHBondContact O-CD2 3.49Å
190	A	98.4	Very high	97.8	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.			trans	-95.8	18.5	-178.6	0	0	0	0	0	113.8	W185 G214 F217 L218 P307	W185-A190 HydrophobicContact CB-CB 4.11Å; W185-A190 HydrophobicContact CD2-CB 3.87Å; W185-A190 HydrophobicContact CE3-CB 3.35Å; W185-A190 HydrophobicContact CG-CB 4.21Å; W185-A190 HydrophobicContact CZ3-CB 4.06Å; W185-A190 PolarHBondContact O-N 3.09Å; A190-G214 WeakPolarHBondContact O-CA 3.48Å; A190-F217 HydrophobicContact CB-CD1 3.4Å; A190-F217 VanDerWaalsContact CB-CD1 3.4Å; A190-F217 HydrophobicContact CB-CE1 3.92Å; A190-F217 HydrophobicContact CB-CG 4.23Å; A190-L218 HydrophobicContact CB-CD1 3.74Å; A190-P307 HydrophobicContact CB-CG 4.41Å; A190-P307 WeakPolarHBondContact O-CG 3.35Å
191	V	98.8	Very high	97.8	Very high	17 Å²	17	55.6 Å²	55.6	10%	0.103	29%	0.293	C	S	.	.			trans	-139	118	-176.7	-174.4	0	0	0	0	109.4	W185 R186 P307 V344 K358	W185-V191 HydrophobicContact CB-CG2 3.62Å; R186-V191 HydrophobicContact CG-CB 4.12Å; R186-V191 HydrophobicContact CG-CG1 4.17Å; R186-V191 HydrophobicContact CG-CG2 4.09Å; V191-P307 HydrophobicContact CG2-CG 4.16Å; V191-V344 HydrophobicContact CG1-CG1 3.95Å; V191-V344 HydrophobicContact CG2-CB 3.92Å; V191-V344 HydrophobicContact CG2-CG1 3.72Å; V191-K358 HydrophobicContact CG1-CD 3.79Å
192	T	98.8	Very high	97.9	Very high	13 Å²	13	50 Å²	50	8%	0.08	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-69.8	171.7	173.2	60.5	0	0	0	0	111.7	E213 L223 L224 K358	T192-E213 WeakPolarHBondContact CB-OE2 3.46Å; T192-E213 HydrophobicContact CG2-CB 4.29Å; T192-E213 HydrophobicContact CG2-CG 4.16Å; T192-E213 WeakPolarHBondContact CG2-OE2 3.42Å; T192-E213 PolarHBondContact OG1-OE2 3.19Å; T192-L223 HydrophobicContact CG2-CD1 3.93Å; T192-L223 HydrophobicContact CG2-CD2 3.89Å; T192-L223 HydrophobicContact CG2-CG 3.84Å; T192-L224 WeakPolarHBondContact CG2-O 3.41Å; T192-K358 WeakPolarHBondContact O-CE 3.2Å; T192-K358 PolarHBondContact O-NZ 3.02Å; T192-K358 PolarHBondContact OG1-NZ 3.49Å
193	K	98.6	Very high	98	Very high	189 Å²	189	43.4 Å²	43.4	82%	0.822	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-56.3	152.2	174.2	-64.4	177.2	-176.6	171.6	0	111.3	K195 K358	K193-K195 PolarHBondContact O-N 3.11Å; K193-K358 WeakPolarHBondContact O-CE 3.39Å; K193-K358 PolarHBondContact O-NZ 3.32Å
194	V	98.8	Very high	97.9	Very high	20 Å²	20	40.7 Å²	40.7	12%	0.121	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-64	131.7	170.7	170.7	0	0	0	0	109	K358 T363 Y370	V194-K358 HydrophobicContact CG2-CG 4.09Å; V194-T363 HydrophobicContact CB-CG2 3.84Å; V194-T363 HydrophobicContact CG1-CG2 4.19Å; V194-Y370 HydrophobicContact CG2-CD2 4.3Å; V194-Y370 HydrophobicContact CG2-CE2 3.71Å
195	K	98.6	Very high	97.9	Very high	34 Å²	34	38.6 Å²	38.6	15%	0.148	20%	0.204	C	C	.	.			trans	-104.7	177.3	175.6	-59.1	-174	-179.9	-175.4	0	110.8	K193 F206 S225 L226 E228 E262 S360 G362	K193-K195 PolarHBondContact O-N 3.11Å; K195-F206 HydrophobicContact CB-CD1 3.95Å; K195-F206 HydrophobicContact CB-CE1 3.48Å; K195-F206 VanDerWaalsContact CB-CE1 3.48Å; K195-F206 HydrophobicContact CD-CD1 4.12Å; K195-F206 HydrophobicContact CD-CE1 3.7Å; K195-F206 HydrophobicContact CG-CE1 4.24Å; K195-S225 WeakPolarHBondContact CE-OG 3.23Å; K195-S225 PolarHBondContact NZ-OG 3.01Å; K195-L226 PolarHBondContact NZ-O 2.87Å; K195-E228 WeakPolarHBondContact CD-OE2 3.11Å; K195-E228 IonicContact NZ-OE1 3.6Å; K195-E228 PolarHBondContact NZ-OE1 3.1Å; K195-E228 IonicContact NZ-OE2 3.18Å; K195-E228 PolarHBondContact NZ-OE2 3.1Å; K195-E262 IonicContact NZ-OE2 2.66Å; K195-E262 PolarHBondContact NZ-OE2 3.31Å; K195-S360 CarbonylContact O-C 3.55Å; K195-G362 WeakPolarHBondContact O-CA 3.44Å; K195-G362 PolarHBondContact O-N 2.95Å
196	D	98.4	Very high	97.9	Very high	63 Å²	63	38.4 Å²	38.4	34%	0.337	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-130.6	118.2	177.7	-161.5	-20.6	0	0	0	110.5	K143 G198 S360	K143-D196 IonicContact NZ-OD1 2.78Å; K143-D196 IonicContact NZ-OD2 2.72Å; K143-D196 PolarHBondContact NZ-OD2 2.96Å; D196-G198 PolarHBondContact O-N 2.84Å; D196-G198 PolarHBondContact OD1-N 2.98Å; D196-S360 CarbonylContact C-O 3.4Å; D196-S360 WeakPolarHBondContact CA-O 3.06Å
197	Q	97.8	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.			trans	-71.8	-13.7	176.1	76.1	-174	74.5	0	0	112.3	Y156 C200 F206 Y267 S360 W361	Y156-Q197 PolarHBondContact O-NE2 3.31Å; Q197-C200 PolarHBondContact NE2-O 2.96Å; Q197-F206 HydrophobicContact CB-CD2 3.81Å; Q197-F206 HydrophobicContact CB-CE2 3.42Å; Q197-F206 VanDerWaalsContact CB-CE2 3.42Å; Q197-F206 HydrophobicContact CB-CZ 4.1Å; Q197-Y267 PolarHBondContact O-OH 3.45Å; Q197-S360 WeakPolarHBondContact CG-O 3.42Å; Q197-S360 PolarHBondContact N-O 2.9Å; Q197-S360 PolarHBondContact OE1-OG 2.81Å; Q197-W361 VanDerWaalsContact OE1-CD1 3.31Å; Q197-W361 VanDerWaalsContact OE1-NE1 3.12Å
198	G	96.3	Very high	98	Very high	27 Å²	27	30.8 Å²	30.8	28%	0.278	16%	0.161	S	C	.	.			trans	57.3	-146	-177	0	0	0	0	0	112.5	Y156 D196 C200	Y156-G198 VanDerWaalsContact CD1-O 3.27Å; Y156-G198 WeakPolarHBondContact CD1-O 3.42Å; Y156-G198 WeakPolarHBondContact CE1-O 3.37Å; D196-G198 PolarHBondContact O-N 2.84Å; D196-G198 PolarHBondContact OD1-N 2.98Å; G198-C200 PolarHBondContact O-N 3.33Å
199	M	95.4	Very high	98	Very high	141 Å²	141	26.5 Å²	26.5	70%	0.695	14%	0.143	S	C	*	.	S	Bend	trans	-83.9	47.6	-176.5	-65.9	179	63.3	0	0	113.1	I155	I155-M199 HydrophobicContact CD1-CE 4.2Å; I155-M199 VanDerWaalsContact CG2-CA 3.41Å; I155-M199 HydrophobicContact CG2-CB 3.62Å; I155-M199 HydrophobicContact CG2-CE 4.44Å; I155-M199 HydrophobicContact CG2-CG 3.91Å
200	C	96.7	Very high	98.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.13	C	C	.	.	S	Bend	trans	-138.8	132.2	-176.9	176.9	0	0	0	0	110.2	I155 Q197 G198 S202 C241 Y267 G269	I155-C200 CarbonylContact O-C 3.57Å; I155-C200 PolarHBondContact O-N 3.09Å; Q197-C200 PolarHBondContact NE2-O 2.96Å; G198-C200 PolarHBondContact O-N 3.33Å; C200-S202 PolarHBondContact O-N 3.43Å; C200-S202 VanDerWaalsContact SG-CB 3.58Å; C200-C241 HydrophobicContact CB-CB 3.91Å; C200-C241 WeakPolarHBondContact CB-SG 3.35Å; C200-C241 WeakPolarHBondContact SG-CA 3.46Å; C200-C241 WeakPolarHBondContact SG-CB 3.18Å; C200-C241 CovalentContact SG-SG 2.03Å; C200-C241 PolarHBondContact SG-SG 2.96Å; C200-Y267 WeakPolarHBondContact CB-OH 3.37Å; C200-G269 WeakPolarHBondContact CB-O 3.47Å
201	G	96.4	Very high	98.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	13%	0.13	C	C	.	.			trans	-73.5	38.6	178.2	0	0	0	0	0	114.5	I155 C203 C241	I155-G201 PolarHBondContact O-N 2.62Å; G201-C203 PolarHBondContact O-N 3.45Å; G201-C241 WeakPolarHBondContact CA-O 2.99Å; G201-C241 PolarHBondContact N-O 3.32Å
202	S	97.9	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.			trans	-92.7	18.1	-173.5	59.3	0	0	0	0	115	C200 W204 A205 F206 Y267	C200-S202 PolarHBondContact O-N 3.43Å; C200-S202 VanDerWaalsContact SG-CB 3.58Å; S202-W204 PolarHBondContact O-N 3.11Å; S202-A205 WeakPolarHBondContact O-CB 3.41Å; S202-A205 PolarHBondContact O-N 2.76Å; S202-F206 WeakPolarHBondContact O-CD2 3.23Å; S202-F206 PolarHBondContact O-N 3.26Å; S202-F206 WeakPolarHBondContact OG-CE2 3.33Å; S202-Y267 PolarHBondContact OG-OH 3.32Å
203	C	98.4	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-51.2	-31	178.6	60.5	0	0	0	0	113.5	N158 G201 A205 F206 S207 H339 A340	N158-C203 VanDerWaalsContact CB-SG 3.55Å; G201-C203 PolarHBondContact O-N 3.45Å; C203-A205 PolarHBondContact O-N 2.97Å; C203-F206 PolarHBondContact O-N 2.68Å; C203-S207 WeakPolarHBondContact O-CB 3.46Å; C203-S207 PolarHBondContact O-N 3.25Å; C203-H339 WeakPolarHBondContact CB-CE1 3.43Å; C203-H339 WeakPolarHBondContact CB-ND1 3.38Å; C203-A340 HydrophobicContact CB-CB 4.48Å; C203-A340 PolarHBondContact SG-N 3.5Å
204	W	98.3	Very high	98.2	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-43.1	175.4	64	-88.8	0	0	0	112.5	S202 V208 L231 D235 D238 A240 A249	S202-W204 PolarHBondContact O-N 3.11Å; W204-V208 PolarHBondContact O-N 3.39Å; W204-V208 VanDerWaalsContact O-N 3.15Å; W204-L231 HydrophobicContact CH2-CB 3.87Å; W204-L231 HydrophobicContact CZ3-CB 3.95Å; W204-L231 HydrophobicContact CZ3-CD1 4.35Å; W204-D235 HydrophobicContact CH2-CB 4.17Å; W204-D238 HydrophobicContact CH2-CB 3.78Å; W204-D238 HydrophobicContact CZ2-CB 3.87Å; W204-D238 HydrophobicContact CZ3-CB 4.19Å; W204-D238 WeakPolarHBondContact CZ3-OD2 3.43Å; W204-A240 PolarHBondContact NE1-O 2.77Å; W204-A249 HydrophobicContact CE3-CB 3.67Å; W204-A249 HydrophobicContact CZ3-CB 3.57Å
205	A	98.6	Very high	98.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.1	-49.9	177.9	0	0	0	0	0	110	S202 C203 S207 V208 T209 E228 L231 L232	S202-A205 WeakPolarHBondContact O-CB 3.41Å; S202-A205 PolarHBondContact O-N 2.76Å; C203-A205 PolarHBondContact O-N 2.97Å; A205-S207 VanDerWaalsContact C-N 3.31Å; A205-S207 PolarHBondContact O-N 2.84Å; A205-V208 PolarHBondContact O-N 3.39Å; A205-V208 VanDerWaalsContact O-N 3.13Å; A205-T209 WeakPolarHBondContact O-CG2 3.25Å; A205-T209 PolarHBondContact O-N 3.38Å; A205-T209 PolarHBondContact O-OG1 3.33Å; A205-T209 VanDerWaalsContact O-OG1 3.05Å; A205-E228 HydrophobicContact CB-CB 4.08Å; A205-E228 HydrophobicContact CB-CG 4.29Å; A205-L231 HydrophobicContact CB-CB 4.09Å; A205-L231 HydrophobicContact CB-CD1 3.94Å; A205-L232 HydrophobicContact CB-CD1 3.9Å
206	F	98.9	Very high	98.1	Very high	18 Å²	18	14.4 Å²	14.4	8%	0.079	8%	0.078	C	C	.	.	H	α-helix	trans	-59.5	-37.4	177.6	-76.7	-85.7	0	0	0	113.6	K195 Q197 S202 C203 T209 G210 E228 Y267	K195-F206 HydrophobicContact CB-CD1 3.95Å; K195-F206 HydrophobicContact CB-CE1 3.48Å; K195-F206 VanDerWaalsContact CB-CE1 3.48Å; K195-F206 HydrophobicContact CD-CD1 4.12Å; K195-F206 HydrophobicContact CD-CE1 3.7Å; K195-F206 HydrophobicContact CG-CE1 4.24Å; Q197-F206 HydrophobicContact CB-CD2 3.81Å; Q197-F206 HydrophobicContact CB-CE2 3.42Å; Q197-F206 VanDerWaalsContact CB-CE2 3.42Å; Q197-F206 HydrophobicContact CB-CZ 4.1Å; S202-F206 WeakPolarHBondContact O-CD2 3.23Å; S202-F206 PolarHBondContact O-N 3.26Å; S202-F206 WeakPolarHBondContact OG-CE2 3.33Å; C203-F206 PolarHBondContact O-N 2.68Å; F206-T209 WeakPolarHBondContact CA-OG1 3.31Å; F206-T209 PolarHBondContact O-OG1 2.84Å; F206-G210 PolarHBondContact O-N 2.88Å; F206-G210 VanDerWaalsContact O-N 3.08Å; F206-E228 HydrophobicContact CB-CG 4.31Å; F206-E228 VanDerWaalsContact CD1-CD 3.48Å; F206-E228 HydrophobicContact CD1-CG 3.6Å; F206-E228 HydrophobicContact CD2-CB 4.41Å; F206-E228 HydrophobicContact CD2-CG 3.89Å; F206-E228 HydrophobicContact CE1-CB 4.42Å; F206-E228 VanDerWaalsContact CE1-CD 3.41Å; F206-E228 HydrophobicContact CE1-CG 3.71Å; F206-E228 VanDerWaalsContact CE1-OE2 3.31Å; F206-E228 WeakPolarHBondContact CE1-OE2 3.2Å; F206-E228 HydrophobicContact CE2-CB 4.16Å; F206-E228 HydrophobicContact CE2-CG 3.99Å; F206-E228 HydrophobicContact CG-CG 3.69Å; F206-E228 HydrophobicContact CZ-CB 4.17Å; F206-E228 HydrophobicContact CZ-CG 3.91Å; F206-Y267 HydrophobicContact CE2-CD2 4.3Å; F206-Y267 HydrophobicContact CE2-CE1 4.26Å; F206-Y267 AromaticContact CE2-CE2 3.68Å; F206-Y267 HydrophobicContact CE2-CE2 3.68Å; F206-Y267 AromaticContact CE2-CZ 3.65Å; F206-Y267 HydrophobicContact CZ-CD1 4.18Å; F206-Y267 AromaticContact CZ-CD2 4Å; F206-Y267 HydrophobicContact CZ-CD2 4Å; F206-Y267 AromaticContact CZ-CE1 3.99Å; F206-Y267 HydrophobicContact CZ-CE1 3.99Å; F206-Y267 AromaticContact CZ-CE2 3.8Å; F206-Y267 HydrophobicContact CZ-CE2 3.8Å; F206-Y267 HydrophobicContact CZ-CG 4.17Å; F206-Y267 AromaticContact CZ-CZ 3.79Å
207	S	98.8	Very high	98.2	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-66.5	-40.6	177.4	-169.8	0	0	0	0	111.6	C203 A205 N211 S309 V341	C203-S207 WeakPolarHBondContact O-CB 3.46Å; C203-S207 PolarHBondContact O-N 3.25Å; A205-S207 VanDerWaalsContact C-N 3.31Å; A205-S207 PolarHBondContact O-N 2.84Å; S207-N211 PolarHBondContact O-N 3.47Å; S207-S309 PolarHBondContact OG-OG 2.88Å; S207-V341 VanDerWaalsContact OG-C 3.32Å; S207-V341 PolarHBondContact OG-N 3.34Å; S207-V341 PolarHBondContact OG-O 3.46Å
208	V	98.8	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-77	-48.2	-179.8	165	0	0	0	0	112.1	W204 A205 G210 N211 V212 L231 P246 A249 Y250 I253	W204-V208 PolarHBondContact O-N 3.39Å; W204-V208 VanDerWaalsContact O-N 3.15Å; A205-V208 PolarHBondContact O-N 3.39Å; A205-V208 VanDerWaalsContact O-N 3.13Å; V208-G210 VanDerWaalsContact C-N 3.29Å; V208-G210 PolarHBondContact O-N 2.93Å; V208-N211 WeakPolarHBondContact O-CB 3.27Å; V208-N211 PolarHBondContact O-N 2.87Å; V208-V212 HydrophobicContact CG1-CG2 4.38Å; V208-V212 WeakPolarHBondContact O-CG2 3.47Å; V208-V212 PolarHBondContact O-N 3.25Å; V208-L231 HydrophobicContact CG1-CD1 4.44Å; V208-P246 HydrophobicContact CG2-CB 3.65Å; V208-P246 HydrophobicContact CG2-CG 4.44Å; V208-A249 HydrophobicContact CB-CB 4.11Å; V208-A249 HydrophobicContact CG1-CB 3.95Å; V208-A249 HydrophobicContact CG2-CB 3.94Å; V208-Y250 HydrophobicContact CB-CE1 4.3Å; V208-Y250 HydrophobicContact CG1-CD1 3.66Å; V208-Y250 HydrophobicContact CG1-CE1 3.59Å; V208-Y250 HydrophobicContact CG1-CG 4.34Å; V208-Y250 HydrophobicContact CG2-CE1 4.15Å; V208-Y250 HydrophobicContact CG2-CE2 4.1Å; V208-I253 HydrophobicContact CG1-CD1 3.6Å
209	T	98.8	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.5	-47.1	175.6	54.3	0	0	0	0	110	A205 F206 N211 V212 E213 E228 L231 L259	A205-T209 WeakPolarHBondContact O-CG2 3.25Å; A205-T209 PolarHBondContact O-N 3.38Å; A205-T209 PolarHBondContact O-OG1 3.33Å; A205-T209 VanDerWaalsContact O-OG1 3.05Å; F206-T209 WeakPolarHBondContact CA-OG1 3.31Å; F206-T209 PolarHBondContact O-OG1 2.84Å; T209-N211 VanDerWaalsContact C-N 3.26Å; T209-N211 PolarHBondContact O-N 3.12Å; T209-V212 PolarHBondContact O-N 3.49Å; T209-E213 WeakPolarHBondContact O-CB 3.39Å; T209-E213 WeakPolarHBondContact O-CG 3.44Å; T209-E213 PolarHBondContact O-N 2.88Å; T209-E228 WeakPolarHBondContact CB-OE1 3.44Å; T209-E228 HydrophobicContact CG2-CB 4.49Å; T209-E228 HydrophobicContact CG2-CG 3.85Å; T209-E228 WeakPolarHBondContact OG1-CG 3.32Å; T209-E228 PolarHBondContact OG1-OE1 3.02Å; T209-L231 HydrophobicContact CG2-CD1 3.85Å; T209-L259 HydrophobicContact CG2-CD1 4.14Å
210	G	98.9	Very high	98.3	Very high	3 Å²	3	16 Å²	16	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-59.7	-31.9	176.4	0	0	0	0	0	114.5	F206 V208 G214 L342	F206-G210 PolarHBondContact O-N 2.88Å; F206-G210 VanDerWaalsContact O-N 3.08Å; V208-G210 VanDerWaalsContact C-N 3.29Å; V208-G210 PolarHBondContact O-N 2.93Å; G210-G214 PolarHBondContact O-N 3.08Å; G210-L342 WeakPolarHBondContact O-CD2 3.28Å
211	N	98.9	Very high	98.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.4	-46.5	171.9	169.4	-96.6	0	0	0	111.1	S207 V208 T209 E213 G214 Q215 Y250 P307 L342 S388 A389	S207-N211 PolarHBondContact O-N 3.47Å; V208-N211 WeakPolarHBondContact O-CB 3.27Å; V208-N211 PolarHBondContact O-N 2.87Å; T209-N211 VanDerWaalsContact C-N 3.26Å; T209-N211 PolarHBondContact O-N 3.12Å; N211-E213 PolarHBondContact O-N 2.88Å; N211-G214 PolarHBondContact O-N 2.77Å; N211-G214 VanDerWaalsContact O-N 3.14Å; N211-Q215 WeakPolarHBondContact O-CG 3.49Å; N211-Q215 PolarHBondContact O-N 2.97Å; N211-Y250 VanDerWaalsContact CG-OH 3.26Å; N211-Y250 WeakPolarHBondContact OD1-CE1 3.43Å; N211-Y250 PolarHBondContact OD1-OH 3.08Å; N211-P307 PolarHBondContact ND2-O 3.34Å; N211-L342 HydrophobicContact CB-CD1 3.9Å; N211-S388 PolarHBondContact ND2-OG 3.06Å; N211-A389 WeakPolarHBondContact OD1-CB 3.28Å; N211-A389 PolarHBondContact OD1-N 3.14Å
212	V	98.9	Very high	98.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-41.4	179.2	177.9	0	0	0	0	111.4	V208 T209 G214 Q215 W216 L226 Y250 I253 V283 I285 A389	V208-V212 HydrophobicContact CG1-CG2 4.38Å; V208-V212 WeakPolarHBondContact O-CG2 3.47Å; V208-V212 PolarHBondContact O-N 3.25Å; T209-V212 PolarHBondContact O-N 3.49Å; V212-G214 VanDerWaalsContact C-N 3.29Å; V212-G214 PolarHBondContact O-N 2.69Å; V212-Q215 PolarHBondContact O-N 3.23Å; V212-W216 WeakPolarHBondContact O-CB 3.46Å; V212-W216 PolarHBondContact O-N 3.22Å; V212-L226 HydrophobicContact CB-CD1 3.98Å; V212-L226 HydrophobicContact CG1-CD1 3.61Å; V212-Y250 HydrophobicContact CG2-CD1 4.38Å; V212-Y250 HydrophobicContact CG2-CE1 4.12Å; V212-I253 HydrophobicContact CG2-CD1 3.96Å; V212-V283 HydrophobicContact CG1-CG2 4.12Å; V212-I285 HydrophobicContact CG1-CG2 3.88Å; V212-I285 HydrophobicContact CG2-CG2 3.94Å; V212-A389 HydrophobicContact CG2-CB 3.94Å
213	E	98.9	Very high	98.2	Very high	3 Å²	3	25 Å²	25	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-53.3	-47.6	172	-70	175.8	160.3	0	0	111.1	T192 T209 N211 F217 L223 L224 S225 L226	T192-E213 WeakPolarHBondContact CB-OE2 3.46Å; T192-E213 HydrophobicContact CG2-CB 4.29Å; T192-E213 HydrophobicContact CG2-CG 4.16Å; T192-E213 WeakPolarHBondContact CG2-OE2 3.42Å; T192-E213 PolarHBondContact OG1-OE2 3.19Å; T209-E213 WeakPolarHBondContact O-CB 3.39Å; T209-E213 WeakPolarHBondContact O-CG 3.44Å; T209-E213 PolarHBondContact O-N 2.88Å; N211-E213 PolarHBondContact O-N 2.88Å; E213-F217 WeakPolarHBondContact O-CB 3.44Å; E213-F217 PolarHBondContact O-N 2.85Å; E213-L223 HydrophobicContact CB-CD1 4.44Å; E213-L224 VanDerWaalsContact CG-O 3.27Å; E213-L224 WeakPolarHBondContact CG-O 3.49Å; E213-S225 VanDerWaalsContact OE1-CA 3.26Å; E213-S225 WeakPolarHBondContact OE1-CA 3.24Å; E213-S225 PolarHBondContact OE1-OG 3.5Å; E213-L226 HydrophobicContact CG-CB 4.11Å; E213-L226 HydrophobicContact CG-CD1 3.75Å; E213-L226 HydrophobicContact CG-CG 3.71Å; E213-L226 PolarHBondContact OE1-N 3.5Å
214	G	98.8	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.9	-50.4	177.2	0	0	0	0	0	112.5	A190 G210 N211 V212 W216 F217 L218	A190-G214 WeakPolarHBondContact O-CA 3.48Å; G210-G214 PolarHBondContact O-N 3.08Å; N211-G214 PolarHBondContact O-N 2.77Å; N211-G214 VanDerWaalsContact O-N 3.14Å; V212-G214 VanDerWaalsContact C-N 3.29Å; V212-G214 PolarHBondContact O-N 2.69Å; G214-W216 VanDerWaalsContact C-N 3.32Å; G214-W216 PolarHBondContact O-N 2.82Å; G214-F217 PolarHBondContact O-N 3.48Å; G214-L218 WeakPolarHBondContact O-CD1 3.21Å; G214-L218 PolarHBondContact O-N 2.93Å
215	Q	98.8	Very high	98.2	Very high	19 Å²	19	29.2 Å²	29.2	9%	0.089	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-42.1	179.6	-65.4	-51.8	-61.7	0	0	111.9	N211 V212 L218 N219 R305 S388 A389 V391	N211-Q215 WeakPolarHBondContact O-CG 3.49Å; N211-Q215 PolarHBondContact O-N 2.97Å; V212-Q215 PolarHBondContact O-N 3.23Å; Q215-L218 PolarHBondContact O-N 3.31Å; Q215-N219 PolarHBondContact O-N 2.88Å; Q215-N219 VanDerWaalsContact O-N 3.09Å; Q215-R305 PolarHBondContact NE2-O 3.13Å; Q215-R305 PolarHBondContact OE1-O 3.19Å; Q215-R305 VanDerWaalsContact OE1-O 3.13Å; Q215-S388 PolarHBondContact NE2-OG 3.2Å; Q215-A389 HydrophobicContact CG-CB 4.14Å; Q215-V391 HydrophobicContact CB-CG2 3.82Å
216	W	98.5	Very high	98.2	Very high	23 Å²	23	29.2 Å²	29.2	9%	0.087	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-45.3	176.5	-170.1	-98.8	0	0	0	111.7	V212 G214 L218 N219 Q220 K282 V283 Y284 V391	V212-W216 WeakPolarHBondContact O-CB 3.46Å; V212-W216 PolarHBondContact O-N 3.22Å; G214-W216 VanDerWaalsContact C-N 3.32Å; G214-W216 PolarHBondContact O-N 2.82Å; W216-L218 VanDerWaalsContact C-N 3.33Å; W216-L218 PolarHBondContact O-N 2.89Å; W216-N219 PolarHBondContact O-N 2.86Å; W216-Q220 HydrophobicContact CD2-CB 4.42Å; W216-Q220 HydrophobicContact CD2-CG 3.85Å; W216-Q220 HydrophobicContact CE3-CG 4.17Å; W216-Q220 HydrophobicContact CG-CG 4.44Å; W216-Q220 HydrophobicContact CH2-CG 4.04Å; W216-Q220 HydrophobicContact CZ2-CB 4.42Å; W216-Q220 HydrophobicContact CZ2-CG 3.72Å; W216-Q220 HydrophobicContact CZ3-CG 4.25Å; W216-Q220 WeakPolarHBondContact O-CB 3.36Å; W216-Q220 PolarHBondContact O-N 3.23Å; W216-K282 VanDerWaalsContact CZ2-O 3.28Å; W216-K282 WeakPolarHBondContact CZ2-O 3.44Å; W216-V283 HydrophobicContact CB-CG1 4.36Å; W216-V283 HydrophobicContact CD2-CB 3.77Å; W216-V283 HydrophobicContact CD2-CG1 3.53Å; W216-V283 HydrophobicContact CE3-CB 3.76Å; W216-V283 HydrophobicContact CE3-CG1 4.08Å; W216-V283 HydrophobicContact CG-CB 4.24Å; W216-V283 HydrophobicContact CG-CG1 3.64Å; W216-V283 HydrophobicContact CH2-CB 4.42Å; W216-V283 HydrophobicContact CZ2-CB 4.41Å; W216-V283 HydrophobicContact CZ2-CG1 4.21Å; W216-V283 HydrophobicContact CZ3-CB 4.11Å; W216-Y284 AromaticContact CH2-CD1 3.76Å; W216-Y284 HydrophobicContact CH2-CD1 3.76Å; W216-Y284 AromaticContact CH2-CE1 3.64Å; W216-Y284 HydrophobicContact CH2-CE1 3.64Å; W216-Y284 AromaticContact CZ3-CD1 3.7Å; W216-Y284 HydrophobicContact CZ3-CD1 3.7Å; W216-Y284 AromaticContact CZ3-CE1 3.71Å; W216-Y284 HydrophobicContact CZ3-CE1 3.71Å; W216-Y284 HydrophobicContact CZ3-CG 4.15Å; W216-V391 HydrophobicContact CE3-CG1 3.77Å; W216-V391 HydrophobicContact CZ3-CG1 3.96Å
217	F	98.6	Very high	98.2	Very high	47 Å²	47	28.3 Å²	28.3	21%	0.206	16%	0.163	C	C	.	.	H	α-helix	trans	-58.3	-44.1	174.7	171.9	-96.6	0	0	0	112.2	K188 G189 A190 E213 G214 N219 G221 L223	K188-F217 WeakPolarHBondContact O-CE1 3.33Å; K188-F217 VanDerWaalsContact O-CZ 3.3Å; K188-F217 WeakPolarHBondContact O-CZ 3.42Å; G189-F217 WeakPolarHBondContact O-CD2 3.41Å; G189-F217 WeakPolarHBondContact O-CE2 3.33Å; A190-F217 HydrophobicContact CB-CD1 3.4Å; A190-F217 VanDerWaalsContact CB-CD1 3.4Å; A190-F217 HydrophobicContact CB-CE1 3.92Å; A190-F217 HydrophobicContact CB-CG 4.23Å; E213-F217 WeakPolarHBondContact O-CB 3.44Å; E213-F217 PolarHBondContact O-N 2.85Å; G214-F217 PolarHBondContact O-N 3.48Å; F217-N219 VanDerWaalsContact C-N 3.29Å; F217-N219 PolarHBondContact O-N 3.01Å; F217-G221 WeakPolarHBondContact O-CA 3.47Å; F217-G221 PolarHBondContact O-N 2.85Å; F217-L223 HydrophobicContact CB-CB 4.37Å; F217-L223 HydrophobicContact CB-CD1 3.95Å; F217-L223 HydrophobicContact CD2-CB 3.72Å; F217-L223 HydrophobicContact CE2-CB 4.44Å; F217-L223 HydrophobicContact CG-CB 4.33Å; F217-L223 HydrophobicContact CG-CD1 4.39Å
218	L	97.9	Very high	98.2	Very high	62 Å²	62	28.4 Å²	28.4	33%	0.325	16%	0.163	S	C	.	.	H	α-helix	trans	-63.8	-33.9	178.9	-87.8	89.8	0	0	0	112.7	W185 A190 G214 Q215 W216	W185-L218 HydrophobicContact CE3-CD1 4.33Å; W185-L218 HydrophobicContact CH2-CD1 4Å; W185-L218 HydrophobicContact CH2-CD2 3.65Å; W185-L218 HydrophobicContact CH2-CG 3.94Å; W185-L218 HydrophobicContact CZ2-CD1 4.31Å; W185-L218 HydrophobicContact CZ2-CD2 3.87Å; W185-L218 HydrophobicContact CZ2-CG 4.48Å; W185-L218 HydrophobicContact CZ3-CD1 4.01Å; W185-L218 HydrophobicContact CZ3-CD2 4.41Å; W185-L218 HydrophobicContact CZ3-CG 4.21Å; A190-L218 HydrophobicContact CB-CD1 3.74Å; G214-L218 WeakPolarHBondContact O-CD1 3.21Å; G214-L218 PolarHBondContact O-N 2.93Å; Q215-L218 PolarHBondContact O-N 3.31Å; W216-L218 VanDerWaalsContact C-N 3.33Å; W216-L218 PolarHBondContact O-N 2.89Å
219	N	97.5	Very high	98.2	Very high	63 Å²	63	28.4 Å²	28.4	34%	0.337	16%	0.163	S	C	.	.	H	α-helix	trans	-88.2	-41.3	-177.2	-163.6	44.3	0	0	0	113.3	Q215 W216 F217 V391 D392	Q215-N219 PolarHBondContact O-N 2.88Å; Q215-N219 VanDerWaalsContact O-N 3.09Å; W216-N219 PolarHBondContact O-N 2.86Å; F217-N219 VanDerWaalsContact C-N 3.29Å; F217-N219 PolarHBondContact O-N 3.01Å; N219-V391 HydrophobicContact CB-CB 4.36Å; N219-V391 HydrophobicContact CB-CG1 4.09Å; N219-D392 PolarHBondContact ND2-O 2.93Å; N219-D392 PolarHBondContact ND2-OXT 3.44Å; N219-D392 VanDerWaalsContact ND2-OXT 3.12Å
220	Q	96.5	Very high	98.2	Very high	92 Å²	92	28.4 Å²	28.4	43%	0.43	16%	0.163	S	C	.	.	H	α-helix	trans	-107.5	-8.4	-170.5	-59.9	-65	-41.8	0	0	113.2	W216 T222	W216-Q220 HydrophobicContact CD2-CB 4.42Å; W216-Q220 HydrophobicContact CD2-CG 3.85Å; W216-Q220 HydrophobicContact CE3-CG 4.17Å; W216-Q220 HydrophobicContact CG-CG 4.44Å; W216-Q220 HydrophobicContact CH2-CG 4.04Å; W216-Q220 HydrophobicContact CZ2-CB 4.42Å; W216-Q220 HydrophobicContact CZ2-CG 3.72Å; W216-Q220 HydrophobicContact CZ3-CG 4.25Å; W216-Q220 WeakPolarHBondContact O-CB 3.36Å; W216-Q220 PolarHBondContact O-N 3.23Å; Q220-T222 PolarHBondContact O-N 3Å
221	G	96.1	Very high	98.1	Very high	54 Å²	54	28.2 Å²	28.2	56%	0.557	16%	0.162	S	C	*	.	S	Bend	trans	75	-0.4	178.5	0	0	0	0	0	115.3	F217	F217-G221 WeakPolarHBondContact O-CA 3.47Å; F217-G221 PolarHBondContact O-N 2.85Å
222	T	95.9	Very high	98.1	Very high	78 Å²	78	28.4 Å²	28.4	48%	0.479	16%	0.162	S	C	.	.			trans	-115.6	123.4	-179	-54.9	0	0	0	0	110.4	Q220 L224	Q220-T222 PolarHBondContact O-N 3Å; T222-L224 HydrophobicContact CG2-CD2 3.87Å; T222-L224 HydrophobicContact CG2-CG 4.24Å
223	L	98.3	Very high	98.1	Very high	59 Å²	59	29.2 Å²	29.2	31%	0.309	17%	0.167	S	C	.	.			trans	-87.7	117.1	175.2	-175.4	73.1	0	0	0	108.5	G189 T192 E213 F217	G189-L223 WeakPolarHBondContact O-CD2 3.49Å; T192-L223 HydrophobicContact CG2-CD1 3.93Å; T192-L223 HydrophobicContact CG2-CD2 3.89Å; T192-L223 HydrophobicContact CG2-CG 3.84Å; E213-L223 HydrophobicContact CB-CD1 4.44Å; F217-L223 HydrophobicContact CB-CB 4.37Å; F217-L223 HydrophobicContact CB-CD1 3.95Å; F217-L223 HydrophobicContact CD2-CB 3.72Å; F217-L223 HydrophobicContact CE2-CB 4.44Å; F217-L223 HydrophobicContact CG-CB 4.33Å; F217-L223 HydrophobicContact CG-CD1 4.39Å
224	L	98.3	Very high	98	Very high	45 Å²	45	29.5 Å²	29.5	24%	0.236	17%	0.169	C	C	.	.			trans	-109.7	149.6	174.9	-60.1	177.4	0	0	0	109.1	T192 E213 T222 L226 K282 V283	T192-L224 WeakPolarHBondContact CG2-O 3.41Å; E213-L224 VanDerWaalsContact CG-O 3.27Å; E213-L224 WeakPolarHBondContact CG-O 3.49Å; T222-L224 HydrophobicContact CG2-CD2 3.87Å; T222-L224 HydrophobicContact CG2-CG 4.24Å; L224-L226 HydrophobicContact CB-CD2 4.27Å; L224-K282 HydrophobicContact CD1-CB 3.9Å; L224-V283 HydrophobicContact CD1-CG1 3.9Å
225	S	98.6	Very high	97.8	Very high	45 Å²	45	30.1 Å²	30.1	32%	0.315	17%	0.172	S	C	.	.			trans	-94.1	126	165.9	-157.5	0	0	0	0	109.1	K195 E213 T261 E262	K195-S225 WeakPolarHBondContact CE-OG 3.23Å; K195-S225 PolarHBondContact NZ-OG 3.01Å; E213-S225 VanDerWaalsContact OE1-CA 3.26Å; E213-S225 WeakPolarHBondContact OE1-CA 3.24Å; E213-S225 PolarHBondContact OE1-OG 3.5Å; S225-T261 CarbonylContact O-C 3.55Å; S225-T261 VanDerWaalsContact O-CA 3.26Å; S225-T261 WeakPolarHBondContact O-CA 3.38Å; S225-T261 WeakPolarHBondContact O-CB 3.49Å; S225-E262 PolarHBondContact O-N 2.72Å
226	L	98.7	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-104.8	153.8	-171.1	-60.1	175.4	0	0	0	111.7	K195 V212 E213 L224 E228 L259 V283	K195-L226 PolarHBondContact NZ-O 2.87Å; V212-L226 HydrophobicContact CB-CD1 3.98Å; V212-L226 HydrophobicContact CG1-CD1 3.61Å; E213-L226 HydrophobicContact CG-CB 4.11Å; E213-L226 HydrophobicContact CG-CD1 3.75Å; E213-L226 HydrophobicContact CG-CG 3.71Å; E213-L226 PolarHBondContact OE1-N 3.5Å; L224-L226 HydrophobicContact CB-CD2 4.27Å; L226-E228 PolarHBondContact O-N 2.69Å; L226-L259 HydrophobicContact CB-CD1 4.27Å; L226-L259 HydrophobicContact CD1-CD1 4.2Å; L226-V283 HydrophobicContact CD1-CG1 4.37Å; L226-V283 HydrophobicContact CD1-CG2 3.73Å; L226-V283 HydrophobicContact CD2-CB 4.34Å; L226-V283 HydrophobicContact CD2-CG1 3.66Å; L226-V283 HydrophobicContact CD2-CG2 3.66Å; L226-V283 HydrophobicContact CG-CG2 4.34Å
227	S	98.6	Very high	97.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.			trans	-73.9	118.2	-179	-178.1	0	0	0	0	112.3	Q229 E230 E260 Y265	S227-Q229 VanDerWaalsContact C-N 3.34Å; S227-Q229 PolarHBondContact OG-N 3.2Å; S227-E230 PolarHBondContact OG-N 3.35Å; S227-E260 PolarHBondContact N-O 3.17Å; S227-Y265 VanDerWaalsContact CB-O 3.22Å; S227-Y265 WeakPolarHBondContact CB-O 3.43Å; S227-Y265 PolarHBondContact OG-O 3.33Å
228	E	98.7	Very high	96.9	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-73.1	-31.2	162.3	-67	80.7	-156.5	0	0	111.8	K195 A205 F206 T209 L226 E230 L231 L232 Y267	K195-E228 WeakPolarHBondContact CD-OE2 3.11Å; K195-E228 IonicContact NZ-OE1 3.6Å; K195-E228 PolarHBondContact NZ-OE1 3.1Å; K195-E228 IonicContact NZ-OE2 3.18Å; K195-E228 PolarHBondContact NZ-OE2 3.1Å; A205-E228 HydrophobicContact CB-CB 4.08Å; A205-E228 HydrophobicContact CB-CG 4.29Å; F206-E228 HydrophobicContact CB-CG 4.31Å; F206-E228 VanDerWaalsContact CD1-CD 3.48Å; F206-E228 HydrophobicContact CD1-CG 3.6Å; F206-E228 HydrophobicContact CD2-CB 4.41Å; F206-E228 HydrophobicContact CD2-CG 3.89Å; F206-E228 HydrophobicContact CE1-CB 4.42Å; F206-E228 VanDerWaalsContact CE1-CD 3.41Å; F206-E228 HydrophobicContact CE1-CG 3.71Å; F206-E228 VanDerWaalsContact CE1-OE2 3.31Å; F206-E228 WeakPolarHBondContact CE1-OE2 3.2Å; F206-E228 HydrophobicContact CE2-CB 4.16Å; F206-E228 HydrophobicContact CE2-CG 3.99Å; F206-E228 HydrophobicContact CG-CG 3.69Å; F206-E228 HydrophobicContact CZ-CB 4.17Å; F206-E228 HydrophobicContact CZ-CG 3.91Å; T209-E228 WeakPolarHBondContact CB-OE1 3.44Å; T209-E228 HydrophobicContact CG2-CB 4.49Å; T209-E228 HydrophobicContact CG2-CG 3.85Å; T209-E228 WeakPolarHBondContact OG1-CG 3.32Å; T209-E228 PolarHBondContact OG1-OE1 3.02Å; L226-E228 PolarHBondContact O-N 2.69Å; E228-E230 VanDerWaalsContact C-N 3.26Å; E228-E230 PolarHBondContact O-N 3.21Å; E228-L231 WeakPolarHBondContact O-CB 3.49Å; E228-L231 PolarHBondContact O-N 2.84Å; E228-L232 WeakPolarHBondContact O-CD1 3.48Å; E228-L232 PolarHBondContact O-N 3.03Å; E228-Y267 HydrophobicContact CB-CD2 3.96Å; E228-Y267 HydrophobicContact CB-CE2 4.22Å
229	Q	98.6	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-37.3	-176.1	-167.5	58.5	49.2	0	0	112.3	S227 L231 L232 D233 Y265 Y267 Q268 H270	S227-Q229 VanDerWaalsContact C-N 3.34Å; S227-Q229 PolarHBondContact OG-N 3.2Å; Q229-L231 VanDerWaalsContact C-N 3.25Å; Q229-L231 PolarHBondContact O-N 2.86Å; Q229-L232 WeakPolarHBondContact O-CA 2.99Å; Q229-L232 WeakPolarHBondContact O-CB 3.03Å; Q229-L232 PolarHBondContact O-N 3.35Å; Q229-D233 VanDerWaalsContact NE2-CG 3.33Å; Q229-D233 PolarHBondContact NE2-OD1 3.05Å; Q229-D233 PolarHBondContact NE2-OD2 3.22Å; Q229-D233 VanDerWaalsContact O-CG 3.31Å; Q229-D233 PolarHBondContact O-N 2.84Å; Q229-Y265 HydrophobicContact CB-CD1 3.83Å; Q229-Y265 HydrophobicContact CB-CE1 3.97Å; Q229-Y265 HydrophobicContact CG-CD1 3.82Å; Q229-Y265 HydrophobicContact CG-CE1 3.5Å; Q229-Y267 HydrophobicContact CB-CD2 4.43Å; Q229-Q268 HydrophobicContact CG-CG 4.39Å; Q229-H270 PolarHBondContact NE2-O 3.28Å
230	E	97.9	Very high	96.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-40	175.4	-167.8	-177.5	132.3	0	0	111.5	S227 E228 D233 C234 L259 E260 Y265 F276	S227-E230 PolarHBondContact OG-N 3.35Å; E228-E230 VanDerWaalsContact C-N 3.26Å; E228-E230 PolarHBondContact O-N 3.21Å; E230-D233 PolarHBondContact O-N 3.3Å; E230-C234 WeakPolarHBondContact O-CA 3.34Å; E230-C234 WeakPolarHBondContact O-CB 3.45Å; E230-C234 PolarHBondContact O-N 3.43Å; E230-L259 HydrophobicContact CB-CD2 4.25Å; E230-L259 HydrophobicContact CG-CD2 4.22Å; E230-L259 VanDerWaalsContact OE1-CD2 3.31Å; E230-L259 WeakPolarHBondContact OE1-CD2 3.12Å; E230-E260 WeakPolarHBondContact OE2-CB 3.3Å; E230-E260 WeakPolarHBondContact OE2-CG 3.38Å; E230-E260 PolarHBondContact OE2-N 3.48Å; E230-Y265 HydrophobicContact CB-CD2 4.06Å; E230-Y265 HydrophobicContact CB-CE2 4.27Å; E230-Y265 HydrophobicContact CB-CG 4.45Å; E230-Y265 HydrophobicContact CG-CD2 4.17Å; E230-Y265 HydrophobicContact CG-CE2 4.22Å; E230-F276 HydrophobicContact CG-CB 4.3Å; E230-F276 HydrophobicContact CG-CD2 4.09Å; E230-F276 WeakPolarHBondContact OE1-CD2 3.37Å; E230-F276 VanDerWaalsContact OE1-CE2 3.22Å; E230-F276 WeakPolarHBondContact OE1-CE2 3.36Å
231	L	98.3	Very high	96.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-38.2	173.4	-65.4	178.3	0	0	0	112.3	W204 A205 V208 T209 E228 Q229 D233 D235 A249 A252 I253 L259	W204-L231 HydrophobicContact CH2-CB 3.87Å; W204-L231 HydrophobicContact CZ3-CB 3.95Å; W204-L231 HydrophobicContact CZ3-CD1 4.35Å; A205-L231 HydrophobicContact CB-CB 4.09Å; A205-L231 HydrophobicContact CB-CD1 3.94Å; V208-L231 HydrophobicContact CG1-CD1 4.44Å; T209-L231 HydrophobicContact CG2-CD1 3.85Å; E228-L231 WeakPolarHBondContact O-CB 3.49Å; E228-L231 PolarHBondContact O-N 2.84Å; Q229-L231 VanDerWaalsContact C-N 3.25Å; Q229-L231 PolarHBondContact O-N 2.86Å; L231-D233 VanDerWaalsContact C-N 3.28Å; L231-D233 PolarHBondContact O-N 3.25Å; L231-D235 WeakPolarHBondContact O-CB 3.17Å; L231-D235 PolarHBondContact O-N 2.85Å; L231-A249 HydrophobicContact CD1-CB 4.32Å; L231-A252 HydrophobicContact CD2-CB 4.49Å; L231-I253 HydrophobicContact CD1-CD1 4.48Å; L231-I253 HydrophobicContact CD2-CD1 4.26Å; L231-I253 HydrophobicContact CD2-CG1 3.68Å; L231-L259 HydrophobicContact CD2-CD2 4.15Å; L231-L259 HydrophobicContact CG-CD2 4.31Å
232	L	98.2	Very high	96.6	Very high	3 Å²	3	41 Å²	41	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-39.3	176.4	-85.8	67.8	0	0	0	111.6	A205 E228 Q229 A240 Y267	A205-L232 HydrophobicContact CB-CD1 3.9Å; E228-L232 WeakPolarHBondContact O-CD1 3.48Å; E228-L232 PolarHBondContact O-N 3.03Å; Q229-L232 WeakPolarHBondContact O-CA 2.99Å; Q229-L232 WeakPolarHBondContact O-CB 3.03Å; Q229-L232 PolarHBondContact O-N 3.35Å; L232-A240 HydrophobicContact CB-CB 4.21Å; L232-A240 HydrophobicContact CG-CB 4.23Å; L232-A240 WeakPolarHBondContact O-CB 3.47Å; L232-Y267 HydrophobicContact CD1-CE2 4.21Å; L232-Y267 HydrophobicContact CD2-CE2 3.86Å
233	D	98.2	Very high	96.5	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-91.6	-34.3	-170.8	-62.3	-15.1	0	0	0	112.6	Q229 E230 L231 Y265 Q272 C274	Q229-D233 VanDerWaalsContact NE2-CG 3.33Å; Q229-D233 PolarHBondContact NE2-OD1 3.05Å; Q229-D233 PolarHBondContact NE2-OD2 3.22Å; Q229-D233 VanDerWaalsContact O-CG 3.31Å; Q229-D233 PolarHBondContact O-N 2.84Å; E230-D233 PolarHBondContact O-N 3.3Å; L231-D233 VanDerWaalsContact C-N 3.28Å; L231-D233 PolarHBondContact O-N 3.25Å; D233-Y265 WeakPolarHBondContact CB-OH 3.28Å; D233-Y265 WeakPolarHBondContact OD2-CE1 3.43Å; D233-Y265 PolarHBondContact OD2-OH 3.39Å; D233-Q272 PolarHBondContact OD1-N 3.36Å; D233-C274 HydrophobicContact CB-CB 4.38Å; D233-C274 WeakPolarHBondContact O-CB 3.36Å
234	C	97.5	Very high	96.4	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-108.3	-18.1	-168.2	-57.2	0	0	0	0	114.5	E230 K236 L256 C274	E230-C234 WeakPolarHBondContact O-CA 3.34Å; E230-C234 WeakPolarHBondContact O-CB 3.45Å; E230-C234 PolarHBondContact O-N 3.43Å; C234-K236 PolarHBondContact O-N 3.11Å; C234-L256 HydrophobicContact CB-CD1 3.92Å; C234-L256 HydrophobicContact CB-CD2 4.07Å; C234-C274 HydrophobicContact CB-CB 3.93Å; C234-C274 WeakPolarHBondContact CB-SG 3.35Å; C234-C274 VanDerWaalsContact SG-CA 3.56Å; C234-C274 WeakPolarHBondContact SG-CB 3.45Å; C234-C274 CovalentContact SG-SG 2.04Å; C234-C274 PolarHBondContact SG-SG 3.47Å
235	D	95.3	Very high	96.3	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.07	16%	0.163	C	C	.	.			trans	-71.3	115.3	171.5	-171.5	-9.2	0	0	0	110.3	W204 L231 M237 D238 A252	W204-D235 HydrophobicContact CH2-CB 4.17Å; L231-D235 WeakPolarHBondContact O-CB 3.17Å; L231-D235 PolarHBondContact O-N 2.85Å; D235-M237 WeakPolarHBondContact OD1-CB 3.39Å; D235-M237 PolarHBondContact OD1-N 2.94Å; D235-D238 PolarHBondContact OD1-N 3.43Å; D235-D238 WeakPolarHBondContact OD2-CB 3.36Å; D235-A252 HydrophobicContact CB-CB 3.92Å
236	K	90.8	Very high	96.2	Very high	203 Å²	203	30.6 Å²	30.6	88%	0.883	15%	0.149	S	C	*	.	S	Bend	trans	-87.6	-6.2	-179.2	-59.7	-177.2	-178.2	177	0	113.6	C234	C234-K236 PolarHBondContact O-N 3.11Å
237	M	91.5	Very high	96.1	Very high	80 Å²	80	31.2 Å²	31.2	39%	0.394	15%	0.153	S	C	.	.	S	Bend	trans	-97.4	-42	-178.6	-63.9	175.4	-69.8	0	0	111.7	N167 D235 N248 A252	N167-M237 PolarHBondContact ND2-SD 3.02Å; D235-M237 WeakPolarHBondContact OD1-CB 3.39Å; D235-M237 PolarHBondContact OD1-N 2.94Å; M237-N248 HydrophobicContact CB-CB 4.19Å; M237-N248 HydrophobicContact CE-CB 4.05Å; M237-N248 WeakPolarHBondContact CE-O 3.46Å; M237-A252 HydrophobicContact CE-CB 4.28Å
238	D	93.8	Very high	96.1	Very high	17 Å²	17	32 Å²	32	9%	0.091	16%	0.157	C	C	.	.	S	Bend	trans	-84.5	175.5	179	-73.1	-25.6	0	0	0	112.1	W204 D235 G244 L245 N248	W204-D238 HydrophobicContact CH2-CB 3.78Å; W204-D238 HydrophobicContact CZ2-CB 3.87Å; W204-D238 HydrophobicContact CZ3-CB 4.19Å; W204-D238 WeakPolarHBondContact CZ3-OD2 3.43Å; D235-D238 PolarHBondContact OD1-N 3.43Å; D235-D238 WeakPolarHBondContact OD2-CB 3.36Å; D238-G244 VanDerWaalsContact OD1-CA 3.26Å; D238-G244 WeakPolarHBondContact OD1-CA 3.35Å; D238-G244 WeakPolarHBondContact OD2-CA 3.34Å; D238-L245 VanDerWaalsContact CG-N 3.28Å; D238-L245 PolarHBondContact OD1-N 2.78Å; D238-L245 PolarHBondContact OD2-N 3.21Å; D238-N248 WeakPolarHBondContact OD1-CB 3.35Å; D238-N248 PolarHBondContact OD1-ND2 2.99Å; D238-N248 WeakPolarHBondContact OD2-CB 3.21Å
239	K	95.1	Very high	96	Very high	102 Å²	102	31.9 Å²	31.9	44%	0.443	16%	0.157	S	C	.	.			trans	-118.9	32.9	-169.2	-56	-173.8	-177	172.4	0	112.3	L160 C241 M242 G243	L160-K239 HydrophobicContact CD1-CD 4.1Å; L160-K239 HydrophobicContact CD1-CG 4.31Å; K239-C241 PolarHBondContact O-N 3.46Å; K239-C241 VanDerWaalsContact O-N 3.1Å; K239-M242 HydrophobicContact CB-CB 3.82Å; K239-M242 HydrophobicContact CB-CE 4.26Å; K239-M242 WeakPolarHBondContact O-CB 3.39Å; K239-M242 PolarHBondContact O-N 3.02Å; K239-G243 CarbonylContact C-O 3.53Å; K239-G243 WeakPolarHBondContact CA-O 3.03Å; K239-G243 WeakPolarHBondContact CB-O 3.01Å; K239-G243 PolarHBondContact N-O 3.48Å
240	A	95.7	Very high	96	Very high	7 Å²	7	32 Å²	32	6%	0.058	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	48	-115.6	-179.8	0	0	0	0	0	111.9	W204 L232 M242 G243 M271	W204-A240 PolarHBondContact NE1-O 2.77Å; L232-A240 HydrophobicContact CB-CB 4.21Å; L232-A240 HydrophobicContact CG-CB 4.23Å; L232-A240 WeakPolarHBondContact O-CB 3.47Å; A240-M242 VanDerWaalsContact C-N 3.28Å; A240-M242 PolarHBondContact O-N 3.24Å; A240-G243 PolarHBondContact O-N 2.9Å; A240-M271 HydrophobicContact CB-CB 3.79Å; A240-M271 HydrophobicContact CB-CG 4Å; A240-M271 HydrophobicContact CB-SD 4.2Å
241	C	96.2	Very high	96	Very high	36 Å²	36	33.5 Å²	33.5	24%	0.243	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-71.7	-13.6	179.1	-62.7	0	0	0	0	115.1	C200 G201 K239	C200-C241 HydrophobicContact CB-CB 3.91Å; C200-C241 WeakPolarHBondContact CB-SG 3.35Å; C200-C241 WeakPolarHBondContact SG-CA 3.46Å; C200-C241 WeakPolarHBondContact SG-CB 3.18Å; C200-C241 CovalentContact SG-SG 2.03Å; C200-C241 PolarHBondContact SG-SG 2.96Å; G201-C241 WeakPolarHBondContact CA-O 2.99Å; G201-C241 PolarHBondContact N-O 3.32Å; K239-C241 PolarHBondContact O-N 3.46Å; K239-C241 VanDerWaalsContact O-N 3.1Å
242	M	93.6	Very high	95.9	Very high	144 Å²	144	33.8 Å²	33.8	71%	0.709	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-83.4	-0.9	172.9	-62.6	-175.6	-79.8	0	0	112.5	K239 A240	K239-M242 HydrophobicContact CB-CB 3.82Å; K239-M242 HydrophobicContact CB-CE 4.26Å; K239-M242 WeakPolarHBondContact O-CB 3.39Å; K239-M242 PolarHBondContact O-N 3.02Å; A240-M242 VanDerWaalsContact C-N 3.28Å; A240-M242 PolarHBondContact O-N 3.24Å
243	G	94.7	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.			trans	113	169.3	176.3	0	0	0	0	0	113.7	N158 K239 A240	N158-G243 WeakPolarHBondContact OD1-CA 3.41Å; K239-G243 CarbonylContact C-O 3.53Å; K239-G243 WeakPolarHBondContact CA-O 3.03Å; K239-G243 WeakPolarHBondContact CB-O 3.01Å; K239-G243 PolarHBondContact N-O 3.48Å; A240-G243 PolarHBondContact O-N 2.9Å
244	G	96.1	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.			trans	-165.2	179.2	-179	0	0	0	0	0	112.2	N158 D238	N158-G244 PolarHBondContact ND2-N 3.49Å; N158-G244 VanDerWaalsContact ND2-N 3.17Å; N158-G244 PolarHBondContact ND2-O 2.71Å; D238-G244 VanDerWaalsContact OD1-CA 3.26Å; D238-G244 WeakPolarHBondContact OD1-CA 3.35Å; D238-G244 WeakPolarHBondContact OD2-CA 3.34Å
245	L	96.8	Very high	95.8	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	22%	0.216	C	C	.	.			trans	-122.4	135.1	-178.2	-62.7	178.6	0	0	0	110.1	L161 E164 D238 S247 N248 A249	L161-L245 HydrophobicContact CD2-CD2 3.95Å; E164-L245 HydrophobicContact CB-CD1 3.95Å; D238-L245 VanDerWaalsContact CG-N 3.28Å; D238-L245 PolarHBondContact OD1-N 2.78Å; D238-L245 PolarHBondContact OD2-N 3.21Å; L245-S247 PolarHBondContact O-N 3.29Å; L245-S247 VanDerWaalsContact O-N 3.07Å; L245-N248 HydrophobicContact CB-CB 4.27Å; L245-N248 WeakPolarHBondContact O-CB 3.26Å; L245-N248 PolarHBondContact O-N 3.37Å; L245-A249 PolarHBondContact O-N 3.37Å
246	P	96.9	Very high	95.8	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.019	22%	0.223	C	C	.	.	H	α-helix	trans	-51.7	-37	177.8	-31.2	36.5	0	0	0	114.3	V208 A249 Y250	V208-P246 HydrophobicContact CG2-CB 3.65Å; V208-P246 HydrophobicContact CG2-CG 4.44Å; P246-A249 PolarHBondContact O-N 2.83Å; P246-Y250 HydrophobicContact CB-CE2 4.38Å; P246-Y250 WeakPolarHBondContact O-CD2 3.3Å; P246-Y250 PolarHBondContact O-N 2.84Å
247	S	96.8	Very high	96.1	Very high	12 Å²	12	37.4 Å²	37.4	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-70.7	-29.1	177.8	58.6	0	0	0	0	114.2	G166 N167 L245 S251	G166-S247 WeakPolarHBondContact CA-OG 3.5Å; N167-S247 PolarHBondContact N-OG 2.79Å; N167-S247 VanDerWaalsContact O-CB 3.29Å; N167-S247 WeakPolarHBondContact O-CB 3.37Å; N167-S247 PolarHBondContact O-OG 3.2Å; L245-S247 PolarHBondContact O-N 3.29Å; L245-S247 VanDerWaalsContact O-N 3.07Å; S247-S251 PolarHBondContact O-N 2.88Å; S247-S251 PolarHBondContact O-OG 2.7Å
248	N	97	Very high	96.3	Very high	18 Å²	18	33.6 Å²	33.6	10%	0.096	19%	0.186	C	C	.	.	H	α-helix	trans	-71.9	-47.5	173.3	-69.9	-3.4	0	0	0	109.9	N167 M237 D238 L245 Y250 S251 A252	N167-N248 PolarHBondContact N-OD1 3.14Å; N167-N248 PolarHBondContact ND2-OD1 2.88Å; M237-N248 HydrophobicContact CB-CB 4.19Å; M237-N248 HydrophobicContact CE-CB 4.05Å; M237-N248 WeakPolarHBondContact CE-O 3.46Å; D238-N248 WeakPolarHBondContact OD1-CB 3.35Å; D238-N248 PolarHBondContact OD1-ND2 2.99Å; D238-N248 WeakPolarHBondContact OD2-CB 3.21Å; L245-N248 HydrophobicContact CB-CB 4.27Å; L245-N248 WeakPolarHBondContact O-CB 3.26Å; L245-N248 PolarHBondContact O-N 3.37Å; N248-Y250 PolarHBondContact O-N 2.87Å; N248-S251 CarbonylContact O-C 2.97Å; N248-S251 WeakPolarHBondContact O-CA 3.47Å; N248-S251 WeakPolarHBondContact O-CB 3.29Å; N248-S251 PolarHBondContact O-N 2.65Å; N248-A252 PolarHBondContact O-N 2.94Å
249	A	97.9	Very high	96.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.7	-46.7	176.2	0	0	0	0	0	113.1	W204 V208 L231 L245 P246 S251 A252 I253	W204-A249 HydrophobicContact CE3-CB 3.67Å; W204-A249 HydrophobicContact CZ3-CB 3.57Å; V208-A249 HydrophobicContact CB-CB 4.11Å; V208-A249 HydrophobicContact CG1-CB 3.95Å; V208-A249 HydrophobicContact CG2-CB 3.94Å; L231-A249 HydrophobicContact CD1-CB 4.32Å; L245-A249 PolarHBondContact O-N 3.37Å; P246-A249 PolarHBondContact O-N 2.83Å; A249-S251 VanDerWaalsContact C-N 3.34Å; A249-S251 PolarHBondContact O-N 3.22Å; A249-A252 WeakPolarHBondContact O-CB 3.46Å; A249-A252 PolarHBondContact O-N 3.11Å; A249-A252 VanDerWaalsContact O-N 3.14Å; A249-I253 WeakPolarHBondContact O-CG1 3.06Å; A249-I253 PolarHBondContact O-N 2.69Å
250	Y	98.5	Very high	96.7	Very high	1 Å²	1	28 Å²	28	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-44.4	174.8	-68.8	-56	0	0	0	112	M169 V208 N211 V212 P246 N248 A252 I253 K254 I285 S309 S387 A389	M169-Y250 HydrophobicContact SD-CD2 4.11Å; M169-Y250 HydrophobicContact SD-CE2 4.47Å; V208-Y250 HydrophobicContact CB-CE1 4.3Å; V208-Y250 HydrophobicContact CG1-CD1 3.66Å; V208-Y250 HydrophobicContact CG1-CE1 3.59Å; V208-Y250 HydrophobicContact CG1-CG 4.34Å; V208-Y250 HydrophobicContact CG2-CE1 4.15Å; V208-Y250 HydrophobicContact CG2-CE2 4.1Å; N211-Y250 VanDerWaalsContact CG-OH 3.26Å; N211-Y250 WeakPolarHBondContact OD1-CE1 3.43Å; N211-Y250 PolarHBondContact OD1-OH 3.08Å; V212-Y250 HydrophobicContact CG2-CD1 4.38Å; V212-Y250 HydrophobicContact CG2-CE1 4.12Å; P246-Y250 HydrophobicContact CB-CE2 4.38Å; P246-Y250 WeakPolarHBondContact O-CD2 3.3Å; P246-Y250 PolarHBondContact O-N 2.84Å; N248-Y250 PolarHBondContact O-N 2.87Å; Y250-A252 VanDerWaalsContact C-N 3.28Å; Y250-A252 PolarHBondContact O-N 2.7Å; Y250-I253 PolarHBondContact O-N 3.48Å; Y250-K254 WeakPolarHBondContact O-CB 3.28Å; Y250-K254 PolarHBondContact O-N 3.03Å; Y250-I285 HydrophobicContact CD1-CD1 3.91Å; Y250-I285 HydrophobicContact CG-CD1 4.36Å; Y250-I285 WeakPolarHBondContact O-CD1 3.37Å; Y250-S309 WeakPolarHBondContact OH-CB 3.44Å; Y250-S387 WeakPolarHBondContact CE2-OG 3.31Å; Y250-A389 HydrophobicContact CD1-CB 4.02Å; Y250-A389 HydrophobicContact CE1-CB 3.75Å
251	S	97.4	Very high	96.9	Very high	32 Å²	32	28.6 Å²	28.6	22%	0.224	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-38	175.2	-72.6	0	0	0	0	112	N167 S247 N248 A249 K254 N255	N167-S251 WeakPolarHBondContact ND2-CB 3.37Å; N167-S251 PolarHBondContact ND2-OG 3.45Å; N167-S251 VanDerWaalsContact ND2-OG 3.14Å; S247-S251 PolarHBondContact O-N 2.88Å; S247-S251 PolarHBondContact O-OG 2.7Å; N248-S251 CarbonylContact O-C 2.97Å; N248-S251 WeakPolarHBondContact O-CA 3.47Å; N248-S251 WeakPolarHBondContact O-CB 3.29Å; N248-S251 PolarHBondContact O-N 2.65Å; A249-S251 VanDerWaalsContact C-N 3.34Å; A249-S251 PolarHBondContact O-N 3.22Å; S251-K254 PolarHBondContact O-N 2.65Å; S251-N255 WeakPolarHBondContact O-CB 3.26Å; S251-N255 PolarHBondContact O-N 3.27Å; S251-N255 PolarHBondContact O-ND2 3.18Å
252	A	96.9	Very high	97	Very high	7 Å²	7	28.5 Å²	28.5	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-49.5	175.9	0	0	0	0	0	111.4	L231 D235 M237 N248 A249 Y250 K254 N255 L256	L231-A252 HydrophobicContact CD2-CB 4.49Å; D235-A252 HydrophobicContact CB-CB 3.92Å; M237-A252 HydrophobicContact CE-CB 4.28Å; N248-A252 PolarHBondContact O-N 2.94Å; A249-A252 WeakPolarHBondContact O-CB 3.46Å; A249-A252 PolarHBondContact O-N 3.11Å; A249-A252 VanDerWaalsContact O-N 3.14Å; Y250-A252 VanDerWaalsContact C-N 3.28Å; Y250-A252 PolarHBondContact O-N 2.7Å; A252-K254 VanDerWaalsContact C-N 3.3Å; A252-K254 PolarHBondContact O-N 2.61Å; A252-N255 PolarHBondContact O-N 2.89Å; A252-N255 VanDerWaalsContact O-N 3.1Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 VanDerWaalsContact O-CG 3.31Å; A252-L256 WeakPolarHBondContact O-CG 3.39Å; A252-L256 PolarHBondContact O-N 2.87Å
253	I	98.1	Very high	97.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.2	-48	176.3	-63.9	169.7	0	0	0	110.7	V208 V212 L231 A249 Y250 N255 L256 G257 G258 L259 I285	V208-I253 HydrophobicContact CG1-CD1 3.6Å; V212-I253 HydrophobicContact CG2-CD1 3.96Å; L231-I253 HydrophobicContact CD1-CD1 4.48Å; L231-I253 HydrophobicContact CD2-CD1 4.26Å; L231-I253 HydrophobicContact CD2-CG1 3.68Å; A249-I253 WeakPolarHBondContact O-CG1 3.06Å; A249-I253 PolarHBondContact O-N 2.69Å; Y250-I253 PolarHBondContact O-N 3.48Å; I253-N255 VanDerWaalsContact C-N 3.32Å; I253-N255 PolarHBondContact O-N 3.4Å; I253-L256 PolarHBondContact O-N 3.11Å; I253-G257 PolarHBondContact O-N 3.16Å; I253-G258 PolarHBondContact O-N 2.9Å; I253-G258 VanDerWaalsContact O-N 3.16Å; I253-L259 HydrophobicContact CD1-CD1 3.69Å; I253-L259 HydrophobicContact CD1-CG 4.23Å; I253-L259 HydrophobicContact CG1-CD1 3.94Å; I253-L259 HydrophobicContact CG1-CD2 3.98Å; I253-L259 HydrophobicContact CG1-CG 3.92Å; I253-L259 HydrophobicContact CG2-CD1 4.49Å; I253-L259 HydrophobicContact CG2-CG 4.07Å; I253-I285 HydrophobicContact CB-CD1 4.13Å; I253-I285 HydrophobicContact CB-CG1 4.41Å; I253-I285 HydrophobicContact CG2-CD1 4.15Å; I253-I285 HydrophobicContact CG2-CG1 3.99Å; I253-I285 HydrophobicContact CG2-CG2 4.19Å
254	K	97	Very high	97.3	Very high	96 Å²	96	32.1 Å²	32.1	42%	0.417	18%	0.182	S	C	.	.	H	α-helix	trans	-60.8	-41.8	179	-175.5	179.3	177.1	166.4	0	112.1	Y250 S251 A252 G257 I285 N286 D287	Y250-K254 WeakPolarHBondContact O-CB 3.28Å; Y250-K254 PolarHBondContact O-N 3.03Å; S251-K254 PolarHBondContact O-N 2.65Å; A252-K254 VanDerWaalsContact C-N 3.3Å; A252-K254 PolarHBondContact O-N 2.61Å; K254-G257 PolarHBondContact O-N 2.96Å; K254-I285 HydrophobicContact CB-CG1 4.13Å; K254-N286 WeakPolarHBondContact CE-O 3.4Å; K254-N286 PolarHBondContact NZ-O 3.38Å; K254-D287 IonicContact NZ-OD1 3.21Å
255	N	95.8	Very high	97.4	Very high	132 Å²	132	33.2 Å²	33.2	71%	0.706	19%	0.187	S	C	*	.	H	α-helix	trans	-73.6	-33.9	-179.1	-70.5	-20.1	0	0	0	112.9	S251 A252 I253 G257	S251-N255 WeakPolarHBondContact O-CB 3.26Å; S251-N255 PolarHBondContact O-N 3.27Å; S251-N255 PolarHBondContact O-ND2 3.18Å; A252-N255 PolarHBondContact O-N 2.89Å; A252-N255 VanDerWaalsContact O-N 3.1Å; I253-N255 VanDerWaalsContact C-N 3.32Å; I253-N255 PolarHBondContact O-N 3.4Å; N255-G257 PolarHBondContact O-N 2.74Å
256	L	95.8	Very high	97.4	Very high	43 Å²	43	35.4 Å²	35.4	23%	0.225	20%	0.202	C	C	.	.	H	α-helix	trans	-67.7	-26.1	172	-69.9	169.4	0	0	0	111.4	C234 A252 I253 F276	C234-L256 HydrophobicContact CB-CD1 3.92Å; C234-L256 HydrophobicContact CB-CD2 4.07Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 VanDerWaalsContact O-CG 3.31Å; A252-L256 WeakPolarHBondContact O-CG 3.39Å; A252-L256 PolarHBondContact O-N 2.87Å; I253-L256 PolarHBondContact O-N 3.11Å; L256-F276 HydrophobicContact CB-CD1 4.47Å; L256-F276 HydrophobicContact CB-CE1 4.08Å; L256-F276 HydrophobicContact CB-CZ 4.16Å; L256-F276 HydrophobicContact CD2-CD1 3.92Å; L256-F276 HydrophobicContact CD2-CE1 4.3Å; L256-F276 HydrophobicContact CD2-CG 4.33Å; L256-F276 VanDerWaalsContact O-CE1 3.23Å; L256-F276 WeakPolarHBondContact O-CE1 3.5Å; L256-F276 WeakPolarHBondContact O-CZ 3.41Å
257	G	96.1	Very high	97.5	Very high	49 Å²	49	37.2 Å²	37.2	51%	0.505	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	6.6	-176.7	0	0	0	0	0	113	I253 K254 N255	I253-G257 PolarHBondContact O-N 3.16Å; K254-G257 PolarHBondContact O-N 2.96Å; N255-G257 PolarHBondContact O-N 2.74Å
258	G	97	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.			trans	160.3	-166.9	177.1	0	0	0	0	0	114.6	I253 V283	I253-G258 PolarHBondContact O-N 2.9Å; I253-G258 VanDerWaalsContact O-N 3.16Å; G258-V283 CarbonylContact C-O 3.52Å; G258-V283 WeakPolarHBondContact CA-O 3.26Å
259	L	98.4	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-135.7	146.6	168	-71	176.1	0	0	0	110.2	T209 L226 E230 L231 I253 A281 K282 V283	T209-L259 HydrophobicContact CG2-CD1 4.14Å; L226-L259 HydrophobicContact CB-CD1 4.27Å; L226-L259 HydrophobicContact CD1-CD1 4.2Å; E230-L259 HydrophobicContact CB-CD2 4.25Å; E230-L259 HydrophobicContact CG-CD2 4.22Å; E230-L259 VanDerWaalsContact OE1-CD2 3.31Å; E230-L259 WeakPolarHBondContact OE1-CD2 3.12Å; L231-L259 HydrophobicContact CD2-CD2 4.15Å; L231-L259 HydrophobicContact CG-CD2 4.31Å; I253-L259 HydrophobicContact CD1-CD1 3.69Å; I253-L259 HydrophobicContact CD1-CG 4.23Å; I253-L259 HydrophobicContact CG1-CD1 3.94Å; I253-L259 HydrophobicContact CG1-CD2 3.98Å; I253-L259 HydrophobicContact CG1-CG 3.92Å; I253-L259 HydrophobicContact CG2-CD1 4.49Å; I253-L259 HydrophobicContact CG2-CG 4.07Å; L259-A281 WeakPolarHBondContact O-CA 3.47Å; L259-K282 PolarHBondContact O-N 3.12Å; L259-V283 HydrophobicContact CB-CG2 3.83Å; L259-V283 PolarHBondContact N-O 2.8Å; L259-V283 PolarHBondContact O-N 2.86Å
260	E	98.6	Very high	97.4	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.014	25%	0.253	C	S	.	.			trans	-77	167.3	165.9	-62.7	-178.4	75.2	0	0	111.4	S227 E230 D264 F276 S277 K280	S227-E260 PolarHBondContact N-O 3.17Å; E230-E260 WeakPolarHBondContact OE2-CB 3.3Å; E230-E260 WeakPolarHBondContact OE2-CG 3.38Å; E230-E260 PolarHBondContact OE2-N 3.48Å; E260-D264 HydrophobicContact CB-CB 4.22Å; E260-F276 HydrophobicContact CG-CD2 4.26Å; E260-F276 HydrophobicContact CG-CE2 4.39Å; E260-F276 WeakPolarHBondContact OE2-CA 3.42Å; E260-S277 PolarHBondContact OE2-N 2.69Å; E260-K280 HydrophobicContact CG-CB 3.81Å; E260-K280 WeakPolarHBondContact OE1-CB 3.36Å; E260-K280 WeakPolarHBondContact OE1-CD 3.48Å
261	T	98.6	Very high	97.2	Very high	18 Å²	18	52.1 Å²	52.1	11%	0.11	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-76.7	160.5	174.1	68	0	0	0	0	111.3	S225 D263 D264 Y265 K282	S225-T261 CarbonylContact O-C 3.55Å; S225-T261 VanDerWaalsContact O-CA 3.26Å; S225-T261 WeakPolarHBondContact O-CA 3.38Å; S225-T261 WeakPolarHBondContact O-CB 3.49Å; T261-D263 PolarHBondContact O-N 2.82Å; T261-D263 PolarHBondContact OG1-N 3.01Å; T261-D264 PolarHBondContact O-N 2.77Å; T261-D264 VanDerWaalsContact OG1-CG 3.27Å; T261-D264 PolarHBondContact OG1-N 3.01Å; T261-D264 VanDerWaalsContact OG1-N 3.15Å; T261-D264 PolarHBondContact OG1-OD2 3.48Å; T261-Y265 PolarHBondContact O-N 3.49Å; T261-K282 HydrophobicContact CG2-CB 4.15Å; T261-K282 HydrophobicContact CG2-CG 3.58Å
262	E	98.3	Very high	97.2	Very high	35 Å²	35	54.3 Å²	54.3	16%	0.164	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.7	170.5	-176.3	63.2	-145.6	0	0	112.2	K195 S225 Y265 S266 Y267	K195-E262 IonicContact NZ-OE2 2.66Å; K195-E262 PolarHBondContact NZ-OE2 3.31Å; S225-E262 PolarHBondContact O-N 2.72Å; E262-Y265 CarbonylContact O-C 3.54Å; E262-S266 WeakPolarHBondContact O-CA 3.4Å; E262-S266 WeakPolarHBondContact O-CB 3.05Å; E262-S266 PolarHBondContact O-N 2.73Å; E262-S266 PolarHBondContact O-OG 3.05Å; E262-Y267 VanDerWaalsContact OE1-CB 3.32Å; E262-Y267 WeakPolarHBondContact OE1-CB 3.14Å; E262-Y267 PolarHBondContact OE1-N 2.94Å
263	D	97.3	Very high	97.2	Very high	146 Å²	146	59 Å²	59	78%	0.781	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.2	180	-66.5	-23.7	0	0	0	112	T261	T261-D263 PolarHBondContact O-N 2.82Å; T261-D263 PolarHBondContact OG1-N 3.01Å
264	D	97.6	Very high	97.1	Very high	73 Å²	73	62.3 Å²	62.3	39%	0.39	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-31.9	179.1	-68.2	-47.5	0	0	0	112.6	E260 T261	E260-D264 HydrophobicContact CB-CB 4.22Å; T261-D264 PolarHBondContact O-N 2.77Å; T261-D264 VanDerWaalsContact OG1-CG 3.27Å; T261-D264 PolarHBondContact OG1-N 3.01Å; T261-D264 VanDerWaalsContact OG1-N 3.15Å; T261-D264 PolarHBondContact OG1-OD2 3.48Å
265	Y	98.2	Very high	97.1	Very high	24 Å²	24	63.8 Å²	63.8	9%	0.094	36%	0.357	C	S	.	.	S	Bend	trans	-138.4	79	178.8	-158.4	-30.9	0	0	0	110.6	S227 Q229 E230 D233 T261 E262 N275	S227-Y265 VanDerWaalsContact CB-O 3.22Å; S227-Y265 WeakPolarHBondContact CB-O 3.43Å; S227-Y265 PolarHBondContact OG-O 3.33Å; Q229-Y265 HydrophobicContact CB-CD1 3.83Å; Q229-Y265 HydrophobicContact CB-CE1 3.97Å; Q229-Y265 HydrophobicContact CG-CD1 3.82Å; Q229-Y265 HydrophobicContact CG-CE1 3.5Å; E230-Y265 HydrophobicContact CB-CD2 4.06Å; E230-Y265 HydrophobicContact CB-CE2 4.27Å; E230-Y265 HydrophobicContact CB-CG 4.45Å; E230-Y265 HydrophobicContact CG-CD2 4.17Å; E230-Y265 HydrophobicContact CG-CE2 4.22Å; D233-Y265 WeakPolarHBondContact CB-OH 3.28Å; D233-Y265 WeakPolarHBondContact OD2-CE1 3.43Å; D233-Y265 PolarHBondContact OD2-OH 3.39Å; T261-Y265 PolarHBondContact O-N 3.49Å; E262-Y265 CarbonylContact O-C 3.54Å; Y265-N275 HydrophobicContact CE2-CB 4.33Å; Y265-N275 PolarHBondContact OH-N 3.31Å
266	S	98	Very high	97.2	Very high	51 Å²	51	59.6 Å²	59.6	36%	0.357	33%	0.333	S	S	.	.			trans	-73.9	146.9	-170.5	-49.8	0	0	0	0	115.4	E262 Q268	E262-S266 WeakPolarHBondContact O-CA 3.4Å; E262-S266 WeakPolarHBondContact O-CB 3.05Å; E262-S266 PolarHBondContact O-N 2.73Å; E262-S266 PolarHBondContact O-OG 3.05Å; S266-Q268 WeakPolarHBondContact O-CG 3.27Å; S266-Q268 PolarHBondContact O-NE2 3Å
267	Y	98.4	Very high	97.2	Very high	41 Å²	41	59.2 Å²	59.2	16%	0.161	33%	0.334	C	S	.	.			trans	-63.9	128.8	179.5	-168.5	-105.2	0	0	0	114.5	Q197 C200 S202 F206 E228 Q229 L232 E262 G269	Q197-Y267 PolarHBondContact O-OH 3.45Å; C200-Y267 WeakPolarHBondContact CB-OH 3.37Å; S202-Y267 PolarHBondContact OG-OH 3.32Å; F206-Y267 HydrophobicContact CE2-CD2 4.3Å; F206-Y267 HydrophobicContact CE2-CE1 4.26Å; F206-Y267 AromaticContact CE2-CE2 3.68Å; F206-Y267 HydrophobicContact CE2-CE2 3.68Å; F206-Y267 AromaticContact CE2-CZ 3.65Å; F206-Y267 HydrophobicContact CZ-CD1 4.18Å; F206-Y267 AromaticContact CZ-CD2 4Å; F206-Y267 HydrophobicContact CZ-CD2 4Å; F206-Y267 AromaticContact CZ-CE1 3.99Å; F206-Y267 HydrophobicContact CZ-CE1 3.99Å; F206-Y267 AromaticContact CZ-CE2 3.8Å; F206-Y267 HydrophobicContact CZ-CE2 3.8Å; F206-Y267 HydrophobicContact CZ-CG 4.17Å; F206-Y267 AromaticContact CZ-CZ 3.79Å; E228-Y267 HydrophobicContact CB-CD2 3.96Å; E228-Y267 HydrophobicContact CB-CE2 4.22Å; Q229-Y267 HydrophobicContact CB-CD2 4.43Å; L232-Y267 HydrophobicContact CD1-CE2 4.21Å; L232-Y267 HydrophobicContact CD2-CE2 3.86Å; E262-Y267 VanDerWaalsContact OE1-CB 3.32Å; E262-Y267 WeakPolarHBondContact OE1-CB 3.14Å; E262-Y267 PolarHBondContact OE1-N 2.94Å; Y267-G269 VanDerWaalsContact CE1-CA 3.48Å; Y267-G269 VanDerWaalsContact CZ-CA 3.48Å
268	Q	97.8	Very high	97.1	Very high	98 Å²	98	60.5 Å²	60.5	46%	0.458	34%	0.339	S	S	.	.			trans	-117.2	-12.4	-177.5	-54.4	-59.9	-43	0	0	112.7	Q229 S266 H270 Q272	Q229-Q268 HydrophobicContact CG-CG 4.39Å; S266-Q268 WeakPolarHBondContact O-CG 3.27Å; S266-Q268 PolarHBondContact O-NE2 3Å; Q268-H270 VanDerWaalsContact C-N 3.3Å; Q268-H270 PolarHBondContact O-CE1 3Å; Q268-H270 PolarHBondContact O-N 3.46Å; Q268-H270 PolarHBondContact O-ND1 3.28Å; Q268-Q272 VanDerWaalsContact CB-NE2 3.27Å; Q268-Q272 VanDerWaalsContact CG-NE2 3.28Å
269	G	95.4	Very high	97	Very high	19 Å²	19	69.2 Å²	69.2	20%	0.196	38%	0.38	C	S	.	.	S	Bend	trans	71	21.3	175.3	0	0	0	0	0	115	C200 Y267	C200-G269 WeakPolarHBondContact CB-O 3.47Å; Y267-G269 VanDerWaalsContact CE1-CA 3.48Å; Y267-G269 VanDerWaalsContact CZ-CA 3.48Å
270	H	95.4	Very high	96.9	Very high	96 Å²	96	73.8 Å²	73.8	44%	0.444	40%	0.4	S	S	.	.	S	Bend	trans	-159.3	157.3	172	58.7	-79.1	0	0	0	109.7	Q229 Q268 Q272	Q229-H270 PolarHBondContact NE2-O 3.28Å; Q268-H270 VanDerWaalsContact C-N 3.3Å; Q268-H270 PolarHBondContact O-CE1 3Å; Q268-H270 PolarHBondContact O-N 3.46Å; Q268-H270 PolarHBondContact O-ND1 3.28Å; H270-Q272 PolarHBondContact CE1-NE2 2.88Å; H270-Q272 PolarHBondContact NE2-NE2 3.4Å
271	M	95.1	Very high	96.9	Very high	131 Å²	131	75 Å²	75	65%	0.645	41%	0.41	S	S	*	.			trans	-68	134	178.3	-167.6	-178.2	96.2	0	0	110.7	A240	A240-M271 HydrophobicContact CB-CB 3.79Å; A240-M271 HydrophobicContact CB-CG 4Å; A240-M271 HydrophobicContact CB-SD 4.2Å
272	Q	96.6	Very high	96.8	Very high	78 Å²	78	79 Å²	79	36%	0.364	43%	0.426	S	S	.	.			trans	-123	-172	172.4	-53.2	-168.8	2	0	0	110.4	D233 Q268 H270	D233-Q272 PolarHBondContact OD1-N 3.36Å; Q268-Q272 VanDerWaalsContact CB-NE2 3.27Å; Q268-Q272 VanDerWaalsContact CG-NE2 3.28Å; H270-Q272 PolarHBondContact CE1-NE2 2.88Å; H270-Q272 PolarHBondContact NE2-NE2 3.4Å
273	S	96.9	Very high	96.8	Very high	107 Å²	107	77.5 Å²	77.5	75%	0.748	42%	0.419	S	S	*	.			trans	-77.8	130.1	171.8	-61.9	0	0	0	0	109.2	N275	S273-N275 PolarHBondContact O-N 2.87Å; S273-N275 VanDerWaalsContact O-N 3.12Å
274	C	97.7	Very high	96.8	Very high	68 Å²	68	75.1 Å²	75.1	46%	0.459	40%	0.4	S	S	.	.			trans	-55.1	116.8	175.6	178.3	0	0	0	0	111.5	D233 C234	D233-C274 HydrophobicContact CB-CB 4.38Å; D233-C274 WeakPolarHBondContact O-CB 3.36Å; C234-C274 HydrophobicContact CB-CB 3.93Å; C234-C274 WeakPolarHBondContact CB-SG 3.35Å; C234-C274 VanDerWaalsContact SG-CA 3.56Å; C234-C274 WeakPolarHBondContact SG-CB 3.45Å; C234-C274 CovalentContact SG-SG 2.04Å; C234-C274 PolarHBondContact SG-SG 3.47Å
275	N	96	Very high	96.8	Very high	127 Å²	127	72.1 Å²	72.1	68%	0.679	38%	0.384	S	S	*	.			trans	-117.4	26.1	177.7	-164.9	42.5	0	0	0	112.4	Y265 S273 S277	Y265-N275 HydrophobicContact CE2-CB 4.33Å; Y265-N275 PolarHBondContact OH-N 3.31Å; S273-N275 PolarHBondContact O-N 2.87Å; S273-N275 VanDerWaalsContact O-N 3.12Å; N275-S277 PolarHBondContact O-N 3.29Å
276	F	96.9	Very high	96.8	Very high	45 Å²	45	73.6 Å²	73.6	20%	0.197	39%	0.394	C	S	.	.			trans	-56.6	135.2	179.9	168.9	-110.4	0	0	0	111.9	E230 L256 E260 A278 A281	E230-F276 HydrophobicContact CG-CB 4.3Å; E230-F276 HydrophobicContact CG-CD2 4.09Å; E230-F276 WeakPolarHBondContact OE1-CD2 3.37Å; E230-F276 VanDerWaalsContact OE1-CE2 3.22Å; E230-F276 WeakPolarHBondContact OE1-CE2 3.36Å; L256-F276 HydrophobicContact CB-CD1 4.47Å; L256-F276 HydrophobicContact CB-CE1 4.08Å; L256-F276 HydrophobicContact CB-CZ 4.16Å; L256-F276 HydrophobicContact CD2-CD1 3.92Å; L256-F276 HydrophobicContact CD2-CE1 4.3Å; L256-F276 HydrophobicContact CD2-CG 4.33Å; L256-F276 VanDerWaalsContact O-CE1 3.23Å; L256-F276 WeakPolarHBondContact O-CE1 3.5Å; L256-F276 WeakPolarHBondContact O-CZ 3.41Å; E260-F276 HydrophobicContact CG-CD2 4.26Å; E260-F276 HydrophobicContact CG-CE2 4.39Å; E260-F276 WeakPolarHBondContact OE2-CA 3.42Å; F276-A278 HydrophobicContact CE1-CB 4.11Å; F276-A278 HydrophobicContact CZ-CB 4.29Å; F276-A281 HydrophobicContact CE2-CB 4.06Å; F276-A281 HydrophobicContact CZ-CB 4.17Å
277	S	96.2	Very high	96.8	Very high	35 Å²	35	73.2 Å²	73.2	25%	0.245	39%	0.387	C	S	.	.			trans	-119.4	116.2	171.9	-177.8	0	0	0	0	111.6	E260 N275 E279 K280 A281	E260-S277 PolarHBondContact OE2-N 2.69Å; N275-S277 PolarHBondContact O-N 3.29Å; S277-E279 PolarHBondContact O-N 3.23Å; S277-E279 VanDerWaalsContact O-N 3.12Å; S277-K280 PolarHBondContact O-N 2.86Å; S277-A281 PolarHBondContact O-N 3.34Å; S277-A281 VanDerWaalsContact O-N 3.17Å
278	A	94.7	Very high	96.7	Very high	75 Å²	75	71.5 Å²	71.5	62%	0.62	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.4	175.7	0	0	0	0	0	113.3	F276 K280	F276-A278 HydrophobicContact CE1-CB 4.11Å; F276-A278 HydrophobicContact CZ-CB 4.29Å; A278-K280 VanDerWaalsContact C-N 3.29Å
279	E	95.3	Very high	96.8	Very high	183 Å²	183	67.6 Å²	67.6	86%	0.855	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.7	176.5	-61.4	-177.3	-176.8	0	0	112.9	S277	S277-E279 PolarHBondContact O-N 3.23Å; S277-E279 VanDerWaalsContact O-N 3.12Å
280	K	96.6	Very high	96.9	Very high	97 Å²	97	69.5 Å²	69.5	42%	0.422	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-15.7	179.1	-68	-176.3	175.2	-174.4	0	113.3	E260 S277 A278 K282	E260-K280 HydrophobicContact CG-CB 3.81Å; E260-K280 WeakPolarHBondContact OE1-CB 3.36Å; E260-K280 WeakPolarHBondContact OE1-CD 3.48Å; S277-K280 PolarHBondContact O-N 2.86Å; A278-K280 VanDerWaalsContact C-N 3.29Å; K280-K282 WeakPolarHBondContact O-CD 3.08Å; K280-K282 WeakPolarHBondContact O-CE 3.19Å; K280-K282 WeakPolarHBondContact O-CG 3.43Å; K280-K282 PolarHBondContact O-N 2.84Å
281	A	97.4	Very high	97	Very high	27 Å²	27	65.2 Å²	65.2	22%	0.223	35%	0.348	C	S	.	.			trans	-50.7	126.7	174.6	0	0	0	0	0	110.9	L259 F276 S277	L259-A281 WeakPolarHBondContact O-CA 3.47Å; F276-A281 HydrophobicContact CE2-CB 4.06Å; F276-A281 HydrophobicContact CZ-CB 4.17Å; S277-A281 PolarHBondContact O-N 3.34Å; S277-A281 VanDerWaalsContact O-N 3.17Å
282	K	97.8	Very high	97	Very high	103 Å²	103	61.1 Å²	61.1	45%	0.448	33%	0.333	S	S	.	.			trans	-106.6	-17.1	-177.6	-62.1	-49.2	-177.9	-170.1	0	113.9	W216 L224 L259 T261 K280	W216-K282 VanDerWaalsContact CZ2-O 3.28Å; W216-K282 WeakPolarHBondContact CZ2-O 3.44Å; L224-K282 HydrophobicContact CD1-CB 3.9Å; L259-K282 PolarHBondContact O-N 3.12Å; T261-K282 HydrophobicContact CG2-CB 4.15Å; T261-K282 HydrophobicContact CG2-CG 3.58Å; K280-K282 WeakPolarHBondContact O-CD 3.08Å; K280-K282 WeakPolarHBondContact O-CE 3.19Å; K280-K282 WeakPolarHBondContact O-CG 3.43Å; K280-K282 PolarHBondContact O-N 2.84Å
283	V	97.7	Very high	97	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.018	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-136.5	161.2	-178.1	-54	0	0	0	0	110.2	V212 W216 L224 L226 G258 L259	V212-V283 HydrophobicContact CG1-CG2 4.12Å; W216-V283 HydrophobicContact CB-CG1 4.36Å; W216-V283 HydrophobicContact CD2-CB 3.77Å; W216-V283 HydrophobicContact CD2-CG1 3.53Å; W216-V283 HydrophobicContact CE3-CB 3.76Å; W216-V283 HydrophobicContact CE3-CG1 4.08Å; W216-V283 HydrophobicContact CG-CB 4.24Å; W216-V283 HydrophobicContact CG-CG1 3.64Å; W216-V283 HydrophobicContact CH2-CB 4.42Å; W216-V283 HydrophobicContact CZ2-CB 4.41Å; W216-V283 HydrophobicContact CZ2-CG1 4.21Å; W216-V283 HydrophobicContact CZ3-CB 4.11Å; L224-V283 HydrophobicContact CD1-CG1 3.9Å; L226-V283 HydrophobicContact CD1-CG1 4.37Å; L226-V283 HydrophobicContact CD1-CG2 3.73Å; L226-V283 HydrophobicContact CD2-CB 4.34Å; L226-V283 HydrophobicContact CD2-CG1 3.66Å; L226-V283 HydrophobicContact CD2-CG2 3.66Å; L226-V283 HydrophobicContact CG-CG2 4.34Å; G258-V283 CarbonylContact C-O 3.52Å; G258-V283 WeakPolarHBondContact CA-O 3.26Å; L259-V283 HydrophobicContact CB-CG2 3.83Å; L259-V283 PolarHBondContact N-O 2.8Å; L259-V283 PolarHBondContact O-N 2.86Å
284	Y	97.4	Very high	97	Very high	96 Å²	96	61 Å²	61	38%	0.376	32%	0.323	S	S	.	.			trans	-141.8	166.9	169.9	63.4	-94.3	0	0	0	110.3	W216 N286 D392	W216-Y284 AromaticContact CH2-CD1 3.76Å; W216-Y284 HydrophobicContact CH2-CD1 3.76Å; W216-Y284 AromaticContact CH2-CE1 3.64Å; W216-Y284 HydrophobicContact CH2-CE1 3.64Å; W216-Y284 AromaticContact CZ3-CD1 3.7Å; W216-Y284 HydrophobicContact CZ3-CD1 3.7Å; W216-Y284 AromaticContact CZ3-CE1 3.71Å; W216-Y284 HydrophobicContact CZ3-CE1 3.71Å; W216-Y284 HydrophobicContact CZ3-CG 4.15Å; Y284-N286 WeakPolarHBondContact CE2-OD1 3.44Å; Y284-D392 PolarHBondContact OH-O 3.39Å
285	I	98.1	Very high	97	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.051	31%	0.305	C	S	.	.			trans	-128.3	143.7	168.4	74.2	176.4	0	0	0	110	V212 Y250 I253 K254 A389 V391	V212-I285 HydrophobicContact CG1-CG2 3.88Å; V212-I285 HydrophobicContact CG2-CG2 3.94Å; Y250-I285 HydrophobicContact CD1-CD1 3.91Å; Y250-I285 HydrophobicContact CG-CD1 4.36Å; Y250-I285 WeakPolarHBondContact O-CD1 3.37Å; I253-I285 HydrophobicContact CB-CD1 4.13Å; I253-I285 HydrophobicContact CB-CG1 4.41Å; I253-I285 HydrophobicContact CG2-CD1 4.15Å; I253-I285 HydrophobicContact CG2-CG1 3.99Å; I253-I285 HydrophobicContact CG2-CG2 4.19Å; K254-I285 HydrophobicContact CB-CG1 4.13Å; I285-A389 HydrophobicContact CB-CB 4.26Å; I285-A389 HydrophobicContact CD1-CB 4.33Å; I285-A389 HydrophobicContact CG2-CB 3.78Å; I285-V391 HydrophobicContact CG2-CG2 4.29Å
286	N	97.3	Very high	97	Very high	56 Å²	56	58.7 Å²	58.7	30%	0.299	30%	0.301	S	S	.	.	S	Bend	trans	-83.1	-40.6	179.3	-61.9	63.4	0	0	0	110.8	K254 Y284 V390 D392	K254-N286 WeakPolarHBondContact CE-O 3.4Å; K254-N286 PolarHBondContact NZ-O 3.38Å; Y284-N286 WeakPolarHBondContact CE2-OD1 3.44Å; N286-V390 PolarHBondContact N-O 2.02Å; N286-D392 WeakPolarHBondContact ND2-CB 3.49Å; N286-D392 PolarHBondContact ND2-OD2 2.98Å; N286-D392 PolarHBondContact OD1-N 3.13Å
287	D	97.3	Very high	97	Very high	42 Å²	42	60.4 Å²	60.4	23%	0.225	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	-176	179.5	-146.5	-15.3	0	0	0	110.6	K170 K254 V390	K170-D287 IonicContact NZ-OD2 2.84Å; K170-D287 PolarHBondContact NZ-OD2 3.31Å; K254-D287 IonicContact NZ-OD1 3.21Å; D287-V390 HydrophobicContact CB-CB 4.31Å; D287-V390 PolarHBondContact N-O 3.07Å; D287-V390 PolarHBondContact O-N 3.04Å
288	S	98.1	Very high	97.1	Very high	6 Å²	6	58.8 Å²	58.8	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154	165.8	58.3	0	0	0	0	111	S388	S288-S388 CarbonylContact C-O 3.48Å; S288-S388 WeakPolarHBondContact CA-O 3.05Å
289	V	98.2	Very high	97.3	Very high	16 Å²	16	55.3 Å²	55.3	10%	0.097	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144	-178.1	-67	0	0	0	0	111.7	K170 A172 L291 W301 S387 S388 V390	K170-V289 CarbonylContact O-C 3.58Å; K170-V289 VanDerWaalsContact O-CA 3.23Å; K170-V289 WeakPolarHBondContact O-CA 3.47Å; K170-V289 WeakPolarHBondContact O-CB 3.29Å; A172-V289 HydrophobicContact CB-CB 3.92Å; A172-V289 HydrophobicContact CB-CG2 3.83Å; V289-L291 HydrophobicContact CG2-CD2 3.95Å; V289-W301 HydrophobicContact CG2-CH2 4.21Å; V289-W301 HydrophobicContact CG2-CZ2 4.06Å; V289-S387 VanDerWaalsContact O-CA 3.24Å; V289-S387 WeakPolarHBondContact O-CA 3.21Å; V289-S387 WeakPolarHBondContact O-CB 3Å; V289-S388 PolarHBondContact N-O 3.2Å; V289-S388 PolarHBondContact O-N 3.47Å; V289-V390 HydrophobicContact CG1-CG2 3.84Å; V289-V390 HydrophobicContact CG2-CG2 4.16Å
290	E	97.6	Very high	97.4	Very high	58 Å²	58	46.6 Å²	46.6	27%	0.271	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.7	165.4	-167.8	176.4	-171.5	0	0	109.3	M169 K170 Q171 A172	M169-E290 HydrophobicContact CB-CB 4.14Å; M169-E290 HydrophobicContact CE-CB 4.11Å; M169-E290 HydrophobicContact CE-CG 4.47Å; K170-E290 PolarHBondContact O-N 3.28Å; Q171-E290 PolarHBondContact NE2-OE2 3.02Å; Q171-E290 PolarHBondContact OE1-O 3.45Å; A172-E290 WeakPolarHBondContact CB-O 3.4Å; A172-E290 PolarHBondContact N-O 3.09Å
291	L	97.6	Very high	97.5	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-101	163.1	-177.1	-54.2	-173.1	0	0	0	111.8	A172 V289 Q293 L298 W301 I308 A386	A172-L291 HydrophobicContact CB-CD2 3.53Å; V289-L291 HydrophobicContact CG2-CD2 3.95Å; L291-Q293 PolarHBondContact O-N 2.96Å; L291-L298 HydrophobicContact CB-CD1 4.01Å; L291-L298 HydrophobicContact CD1-CD1 3.86Å; L291-W301 HydrophobicContact CD1-CD2 4.27Å; L291-W301 HydrophobicContact CD1-CG 3.86Å; L291-W301 HydrophobicContact CD2-CD2 3.69Å; L291-W301 VanDerWaalsContact CD2-CE2 3.48Å; L291-W301 HydrophobicContact CD2-CE3 4.13Å; L291-W301 HydrophobicContact CD2-CG 4.15Å; L291-W301 HydrophobicContact CD2-CH2 4.21Å; L291-W301 HydrophobicContact CD2-CZ2 3.76Å; L291-W301 HydrophobicContact CD2-CZ3 4.38Å; L291-I308 HydrophobicContact CD1-CB 4.3Å; L291-I308 HydrophobicContact CD1-CD1 3.67Å; L291-I308 HydrophobicContact CD1-CG1 3.86Å; L291-I308 HydrophobicContact CD1-CG2 3.48Å; L291-I308 VanDerWaalsContact CD1-CG2 3.48Å; L291-A386 HydrophobicContact CB-CB 3.98Å; L291-A386 HydrophobicContact CD1-CB 4.46Å; L291-A386 PolarHBondContact N-O 3.42Å
292	S	95.8	Very high	97.5	Very high	46 Å²	46	42.1 Å²	42.1	32%	0.322	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-61.5	137.6	177.4	-171.6	0	0	0	0	111.9	N294	S292-N294 PolarHBondContact O-N 3.22Å; S292-N294 PolarHBondContact OG-N 2.86Å
293	Q	95.9	Very high	97.6	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	18%	0.184	S	C	.	.	S	Bend	trans	-73	-2.1	169.8	-55.4	-171	-24.8	0	0	113.2	L291 E295 N383 T384	L291-Q293 PolarHBondContact O-N 2.96Å; Q293-E295 PolarHBondContact O-N 3.08Å; Q293-N383 VanDerWaalsContact CA-O 3.31Å; Q293-N383 WeakPolarHBondContact CA-O 3.1Å; Q293-N383 WeakPolarHBondContact CB-O 3.18Å; Q293-N383 WeakPolarHBondContact CG-O 3.26Å; Q293-N383 PolarHBondContact O-ND2 2.97Å; Q293-T384 PolarHBondContact NE2-O 3.44Å
294	N	96.7	Very high	97.5	Very high	70 Å²	70	42 Å²	42	37%	0.374	20%	0.203	S	C	.	.			trans	-81.2	117	172.8	-178.6	-55.6	0	0	0	109.8	S292 Q296 K297 L298	S292-N294 PolarHBondContact O-N 3.22Å; S292-N294 PolarHBondContact OG-N 2.86Å; N294-Q296 VanDerWaalsContact C-N 3.26Å; N294-Q296 PolarHBondContact O-N 2.84Å; N294-Q296 WeakPolarHBondContact OD1-CA 3.34Å; N294-Q296 VanDerWaalsContact OD1-CB 3.29Å; N294-Q296 WeakPolarHBondContact OD1-CB 3.49Å; N294-Q296 PolarHBondContact OD1-N 3.12Å; N294-K297 HydrophobicContact CB-CB 4.19Å; N294-K297 HydrophobicContact CB-CD 4.15Å; N294-K297 HydrophobicContact CB-CG 4.15Å; N294-K297 WeakPolarHBondContact O-CB 3.46Å; N294-K297 PolarHBondContact O-N 3.42Å; N294-K297 VanDerWaalsContact O-N 3.08Å; N294-K297 PolarHBondContact OD1-N 2.94Å; N294-L298 PolarHBondContact O-N 3.47Å
295	E	97.7	Very high	97.5	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-26.6	-176.9	-75.7	-171.7	-100.4	0	0	114.7	Q293 L298 A299 W355 G376 S377 G378 N383	Q293-E295 PolarHBondContact O-N 3.08Å; E295-L298 PolarHBondContact O-N 2.85Å; E295-A299 WeakPolarHBondContact O-CB 3.21Å; E295-A299 PolarHBondContact O-N 3.01Å; E295-W355 HydrophobicContact CB-CZ2 4.07Å; E295-W355 HydrophobicContact CG-CZ2 4.23Å; E295-W355 PolarHBondContact OE2-NE1 3.09Å; E295-G376 VanDerWaalsContact CD-N 3.28Å; E295-G376 VanDerWaalsContact OE1-CA 3.26Å; E295-G376 WeakPolarHBondContact OE1-CA 3.4Å; E295-G376 PolarHBondContact OE1-N 3.06Å; E295-G376 PolarHBondContact OE2-N 2.93Å; E295-S377 PolarHBondContact OE1-N 3Å; E295-G378 WeakPolarHBondContact OE1-CA 3.42Å; E295-G378 PolarHBondContact OE1-N 3.01Å; E295-N383 HydrophobicContact CG-CB 3.93Å
296	Q	96.6	Very high	97.5	Very high	130 Å²	130	43.2 Å²	43.2	61%	0.607	21%	0.206	S	C	*	.	H	α-helix	trans	-69.9	-43.9	174	-61.6	176	-7.4	0	0	110.5	N294 L298 A299 A300	N294-Q296 VanDerWaalsContact C-N 3.26Å; N294-Q296 PolarHBondContact O-N 2.84Å; N294-Q296 WeakPolarHBondContact OD1-CA 3.34Å; N294-Q296 VanDerWaalsContact OD1-CB 3.29Å; N294-Q296 WeakPolarHBondContact OD1-CB 3.49Å; N294-Q296 PolarHBondContact OD1-N 3.12Å; Q296-L298 VanDerWaalsContact C-N 3.29Å; Q296-L298 PolarHBondContact O-N 2.99Å; Q296-A299 PolarHBondContact O-N 3.43Å; Q296-A300 PolarHBondContact O-N 2.94Å
297	K	97.4	Very high	97.6	Very high	81 Å²	81	40.6 Å²	40.6	35%	0.352	19%	0.192	S	C	.	.	H	α-helix	trans	-64.1	-36.4	173.2	-67.7	-175.6	177.1	-179.4	0	111.8	D177 N294 A300 W301	D177-K297 WeakPolarHBondContact OD1-CE 3.5Å; D177-K297 VanDerWaalsContact OD1-CG 3.3Å; D177-K297 WeakPolarHBondContact OD1-CG 3.47Å; N294-K297 HydrophobicContact CB-CB 4.19Å; N294-K297 HydrophobicContact CB-CD 4.15Å; N294-K297 HydrophobicContact CB-CG 4.15Å; N294-K297 WeakPolarHBondContact O-CB 3.46Å; N294-K297 PolarHBondContact O-N 3.42Å; N294-K297 VanDerWaalsContact O-N 3.08Å; N294-K297 PolarHBondContact OD1-N 2.94Å; K297-A300 PolarHBondContact O-N 2.02Å; K297-W301 WeakPolarHBondContact O-CB 3.26Å; K297-W301 PolarHBondContact O-N 3.33Å
298	L	97.8	Very high	97.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-41.1	175.4	-163.5	68.3	0	0	0	111.5	L291 N294 E295 Q296 W301 L302 I308 L343 W355 N383 A386	L291-L298 HydrophobicContact CB-CD1 4.01Å; L291-L298 HydrophobicContact CD1-CD1 3.86Å; N294-L298 PolarHBondContact O-N 3.47Å; E295-L298 PolarHBondContact O-N 2.85Å; Q296-L298 VanDerWaalsContact C-N 3.29Å; Q296-L298 PolarHBondContact O-N 2.99Å; L298-W301 PolarHBondContact O-N 3.36Å; L298-L302 WeakPolarHBondContact O-CB 3.5Å; L298-L302 PolarHBondContact O-N 3.1Å; L298-I308 HydrophobicContact CD1-CD1 3.59Å; L298-I308 HydrophobicContact CD1-CG2 4.33Å; L298-I308 HydrophobicContact CG-CD1 3.92Å; L298-L343 HydrophobicContact CD2-CD2 3.94Å; L298-L343 HydrophobicContact CG-CD2 4.26Å; L298-W355 HydrophobicContact CB-CH2 4.33Å; L298-W355 HydrophobicContact CD2-CH2 4.44Å; L298-W355 HydrophobicContact CD2-CZ2 4.24Å; L298-W355 HydrophobicContact CG-CH2 4.44Å; L298-N383 HydrophobicContact CD2-CB 4.46Å; L298-A386 HydrophobicContact CD1-CB 3.6Å; L298-A386 HydrophobicContact CD2-CB 4.45Å
299	A	98.4	Very high	97.7	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-43.3	174.5	0	0	0	0	0	111.5	A179 E295 Q296 L302 A303 Y346 W355	A179-A299 HydrophobicContact CB-CB 3.97Å; E295-A299 WeakPolarHBondContact O-CB 3.21Å; E295-A299 PolarHBondContact O-N 3.01Å; Q296-A299 PolarHBondContact O-N 3.43Å; A299-L302 PolarHBondContact O-N 3.14Å; A299-A303 WeakPolarHBondContact O-CB 3.46Å; A299-A303 PolarHBondContact O-N 3.24Å; A299-Y346 HydrophobicContact CB-CD1 4.1Å; A299-Y346 HydrophobicContact CB-CE1 3.83Å; A299-Y346 HydrophobicContact CB-CE2 4.49Å; A299-Y346 WeakPolarHBondContact O-CE1 3.49Å; A299-W355 HydrophobicContact CB-CH2 3.73Å; A299-W355 HydrophobicContact CB-CZ3 4.27Å
300	A	98.1	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-41.2	176.8	0	0	0	0	0	111.9	V175 G176 A179 Q296 K297 K304	V175-A300 HydrophobicContact CG2-CB 4.29Å; G176-A300 VanDerWaalsContact O-CB 3.23Å; G176-A300 WeakPolarHBondContact O-CB 3.45Å; A179-A300 HydrophobicContact CB-CB 4.04Å; Q296-A300 PolarHBondContact O-N 2.94Å; K297-A300 PolarHBondContact O-N 2.02Å; A300-K304 WeakPolarHBondContact O-CB 3.26Å; A300-K304 VanDerWaalsContact O-CG 3.31Å; A300-K304 WeakPolarHBondContact O-CG 3.48Å; A300-K304 PolarHBondContact O-N 3.29Å; A300-K304 VanDerWaalsContact O-N 3.14Å
301	W	98.3	Very high	97.8	Very high	30 Å²	30	34.8 Å²	34.8	11%	0.114	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-52.3	171.7	-173.7	-80.8	0	0	0	110.9	A172 K173 V175 V289 L291 K297 L298 A303 K304 R305 I308	A172-W301 HydrophobicContact CB-CE3 4.25Å; A172-W301 HydrophobicContact CB-CH2 3.72Å; A172-W301 HydrophobicContact CB-CZ2 4.45Å; A172-W301 HydrophobicContact CB-CZ3 3.62Å; K173-W301 WeakPolarHBondContact O-CZ3 3.23Å; V175-W301 HydrophobicContact CG1-CE3 3.61Å; V175-W301 HydrophobicContact CG1-CZ3 3.7Å; V175-W301 HydrophobicContact CG2-CB 4.26Å; V175-W301 HydrophobicContact CG2-CE3 4.12Å; V289-W301 HydrophobicContact CG2-CH2 4.21Å; V289-W301 HydrophobicContact CG2-CZ2 4.06Å; L291-W301 HydrophobicContact CD1-CD2 4.27Å; L291-W301 HydrophobicContact CD1-CG 3.86Å; L291-W301 HydrophobicContact CD2-CD2 3.69Å; L291-W301 VanDerWaalsContact CD2-CE2 3.48Å; L291-W301 HydrophobicContact CD2-CE3 4.13Å; L291-W301 HydrophobicContact CD2-CG 4.15Å; L291-W301 HydrophobicContact CD2-CH2 4.21Å; L291-W301 HydrophobicContact CD2-CZ2 3.76Å; L291-W301 HydrophobicContact CD2-CZ3 4.38Å; K297-W301 WeakPolarHBondContact O-CB 3.26Å; K297-W301 PolarHBondContact O-N 3.33Å; L298-W301 PolarHBondContact O-N 3.36Å; W301-A303 VanDerWaalsContact C-N 3.31Å; W301-A303 PolarHBondContact O-N 3Å; W301-K304 PolarHBondContact O-N 2.81Å; W301-K304 VanDerWaalsContact O-N 3.13Å; W301-R305 HydrophobicContact CD2-CB 4Å; W301-R305 HydrophobicContact CD2-CG 3.95Å; W301-R305 HydrophobicContact CE3-CG 4.16Å; W301-R305 HydrophobicContact CG-CB 4.18Å; W301-R305 HydrophobicContact CG-CG 4.45Å; W301-R305 HydrophobicContact CH2-CG 4.29Å; W301-R305 HydrophobicContact CZ2-CB 4.07Å; W301-R305 HydrophobicContact CZ2-CG 4.08Å; W301-R305 HydrophobicContact CZ3-CG 4.3Å; W301-R305 WeakPolarHBondContact O-CA 3.36Å; W301-R305 VanDerWaalsContact O-CB 3.32Å; W301-R305 WeakPolarHBondContact O-CB 3.44Å; W301-R305 PolarHBondContact O-N 2.96Å; W301-I308 HydrophobicContact CB-CD1 4.37Å; W301-I308 HydrophobicContact CG-CD1 4.35Å
302	L	98.6	Very high	97.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-54.9	-49.6	-178.4	-172.2	146.9	0	0	0	110.9	W183 W185 L298 A299 K304 G306 I308 L343 Y346 W355	W183-L302 HydrophobicContact CB-CD2 4.47Å; W183-L302 HydrophobicContact CG-CD2 4.4Å; W185-L302 PolarHBondContact NE1-O 3.39Å; L298-L302 WeakPolarHBondContact O-CB 3.5Å; L298-L302 PolarHBondContact O-N 3.1Å; A299-L302 PolarHBondContact O-N 3.14Å; L302-K304 VanDerWaalsContact C-N 3.33Å; L302-K304 PolarHBondContact O-N 3.47Å; L302-G306 WeakPolarHBondContact CA-O 3.42Å; L302-G306 PolarHBondContact O-N 2.76Å; L302-I308 HydrophobicContact CB-CD1 3.75Å; L302-I308 HydrophobicContact CB-CG1 4.36Å; L302-I308 HydrophobicContact CD1-CD1 4.34Å; L302-I308 HydrophobicContact CG-CD1 4.43Å; L302-L343 HydrophobicContact CD1-CB 4.09Å; L302-L343 HydrophobicContact CD1-CD2 3.77Å; L302-L343 HydrophobicContact CD1-CG 3.56Å; L302-L343 WeakPolarHBondContact CD1-O 3.3Å; L302-Y346 HydrophobicContact CD2-CD1 3.99Å; L302-Y346 HydrophobicContact CD2-CE1 4.08Å; L302-W355 HydrophobicContact CD1-CZ3 4.44Å
303	A	98.3	Very high	97.8	Very high	7 Å²	7	32.5 Å²	32.5	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-36	-178.5	0	0	0	0	0	113.4	P180 W183 A299 W301 Y346	P180-A303 HydrophobicContact CG-CB 4.42Å; W183-A303 HydrophobicContact CB-CB 4.24Å; W183-A303 HydrophobicContact CD2-CB 3.87Å; W183-A303 HydrophobicContact CE3-CB 4.25Å; W183-A303 HydrophobicContact CG-CB 3.89Å; W183-A303 WeakPolarHBondContact CZ2-O 3.13Å; A299-A303 WeakPolarHBondContact O-CB 3.46Å; A299-A303 PolarHBondContact O-N 3.24Å; W301-A303 VanDerWaalsContact C-N 3.31Å; W301-A303 PolarHBondContact O-N 3Å; A303-Y346 HydrophobicContact CB-CE1 4.35Å
304	K	97.1	Very high	97.8	Very high	96 Å²	96	27.3 Å²	27.3	42%	0.417	12%	0.122	S	C	.	.	H	α-helix	trans	-94.3	-25.2	-173.7	-66	177.6	-172.7	178.8	0	114.4	V175 L178 A300 W301 L302	V175-K304 HydrophobicContact CB-CD 4.07Å; V175-K304 HydrophobicContact CG2-CD 4.12Å; V175-K304 PolarHBondContact O-NZ 2.83Å; L178-K304 VanDerWaalsContact O-CE 3.25Å; L178-K304 WeakPolarHBondContact O-CE 3.36Å; L178-K304 PolarHBondContact O-NZ 3.37Å; A300-K304 WeakPolarHBondContact O-CB 3.26Å; A300-K304 VanDerWaalsContact O-CG 3.31Å; A300-K304 WeakPolarHBondContact O-CG 3.48Å; A300-K304 PolarHBondContact O-N 3.29Å; A300-K304 VanDerWaalsContact O-N 3.14Å; W301-K304 PolarHBondContact O-N 2.81Å; W301-K304 VanDerWaalsContact O-N 3.13Å; L302-K304 VanDerWaalsContact C-N 3.33Å; L302-K304 PolarHBondContact O-N 3.47Å
305	R	97.6	Very high	97.3	Very high	132 Å²	132	26.2 Å²	26.2	50%	0.498	11%	0.114	S	C	.	.	H	α-helix	trans	-127.3	-2.5	-167.4	-62.4	-63.5	-171.6	178.2	0.1	114	V175 Q215 W301	V175-R305 HydrophobicContact CG1-CG 4Å; Q215-R305 PolarHBondContact NE2-O 3.13Å; Q215-R305 PolarHBondContact OE1-O 3.19Å; Q215-R305 VanDerWaalsContact OE1-O 3.13Å; W301-R305 HydrophobicContact CD2-CB 4Å; W301-R305 HydrophobicContact CD2-CG 3.95Å; W301-R305 HydrophobicContact CE3-CG 4.16Å; W301-R305 HydrophobicContact CG-CB 4.18Å; W301-R305 HydrophobicContact CG-CG 4.45Å; W301-R305 HydrophobicContact CH2-CG 4.29Å; W301-R305 HydrophobicContact CZ2-CB 4.07Å; W301-R305 HydrophobicContact CZ2-CG 4.08Å; W301-R305 HydrophobicContact CZ3-CG 4.3Å; W301-R305 WeakPolarHBondContact O-CA 3.36Å; W301-R305 VanDerWaalsContact O-CB 3.32Å; W301-R305 WeakPolarHBondContact O-CB 3.44Å; W301-R305 PolarHBondContact O-N 2.96Å
306	G	98.3	Very high	96.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.112	C	C	.	.			trans	107.4	-178.2	173.7	0	0	0	0	0	114.7	W185 L302	W185-G306 VanDerWaalsContact CE2-CA 3.47Å; W185-G306 VanDerWaalsContact NE1-CA 3.29Å; L302-G306 WeakPolarHBondContact CA-O 3.42Å; L302-G306 PolarHBondContact O-N 2.76Å
307	P	98.8	Very high	96.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	8%	0.083	C	C	.	.			trans	-56.7	152.5	175	-24.8	35	0	0	0	113.2	W185 A190 V191 N211 L342 L343 V344	W185-P307 HydrophobicContact CB-CG 4.03Å; W185-P307 HydrophobicContact CG-CG 4.01Å; A190-P307 HydrophobicContact CB-CG 4.41Å; A190-P307 WeakPolarHBondContact O-CG 3.35Å; V191-P307 HydrophobicContact CG2-CG 4.16Å; N211-P307 PolarHBondContact ND2-O 3.34Å; P307-L342 HydrophobicContact CB-CD1 3.82Å; P307-L342 HydrophobicContact CB-CD2 4.06Å; P307-L342 HydrophobicContact CB-CG 3.99Å; P307-L343 CarbonylContact C-O 3.6Å; P307-L343 VanDerWaalsContact CA-O 3.27Å; P307-L343 WeakPolarHBondContact CA-O 3.1Å; P307-V344 HydrophobicContact CB-CG1 4.41Å
308	I	98.9	Very high	96.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.1	-173.5	-57.5	172.7	0	0	0	110.1	L291 L298 W301 L302 V310 L343 A386 S387	L291-I308 HydrophobicContact CD1-CB 4.3Å; L291-I308 HydrophobicContact CD1-CD1 3.67Å; L291-I308 HydrophobicContact CD1-CG1 3.86Å; L291-I308 HydrophobicContact CD1-CG2 3.48Å; L291-I308 VanDerWaalsContact CD1-CG2 3.48Å; L298-I308 HydrophobicContact CD1-CD1 3.59Å; L298-I308 HydrophobicContact CD1-CG2 4.33Å; L298-I308 HydrophobicContact CG-CD1 3.92Å; W301-I308 HydrophobicContact CB-CD1 4.37Å; W301-I308 HydrophobicContact CG-CD1 4.35Å; L302-I308 HydrophobicContact CB-CD1 3.75Å; L302-I308 HydrophobicContact CB-CG1 4.36Å; L302-I308 HydrophobicContact CD1-CD1 4.34Å; L302-I308 HydrophobicContact CG-CD1 4.43Å; I308-V310 HydrophobicContact CB-CG1 4.42Å; I308-V310 HydrophobicContact CG2-CG1 3.75Å; I308-V310 PolarHBondContact O-N 2.99Å; I308-L343 HydrophobicContact CB-CB 4.16Å; I308-L343 HydrophobicContact CD1-CD2 4.41Å; I308-L343 PolarHBondContact N-O 3.29Å; I308-L343 WeakPolarHBondContact O-CB 3.45Å; I308-L343 PolarHBondContact O-N 3.43Å; I308-A386 HydrophobicContact CG2-CB 4.1Å; I308-S387 WeakPolarHBondContact CG2-O 3.28Å
309	S	98.8	Very high	96.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.6	169.4	-178.7	0	0	0	0	109.1	S207 Y250 A386 S387	S207-S309 PolarHBondContact OG-OG 2.88Å; Y250-S309 WeakPolarHBondContact OH-CB 3.44Å; S309-A386 WeakPolarHBondContact O-CA 3.48Å; S309-S387 PolarHBondContact N-O 3.15Å; S309-S387 PolarHBondContact O-N 3.25Å; S309-S387 PolarHBondContact O-OG 3.17Å
310	V	98.6	Very high	96.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155	179.7	-58.3	0	0	0	0	111.2	I308 A340 V341 L343 V382 M385 A386	I308-V310 HydrophobicContact CB-CG1 4.42Å; I308-V310 HydrophobicContact CG2-CG1 3.75Å; I308-V310 PolarHBondContact O-N 2.99Å; V310-A340 WeakPolarHBondContact O-CA 3.36Å; V310-V341 HydrophobicContact CG2-CG2 3.62Å; V310-V341 WeakPolarHBondContact CG2-O 3.42Å; V310-V341 PolarHBondContact N-O 2.91Å; V310-V341 PolarHBondContact O-N 3.32Å; V310-L343 HydrophobicContact CG1-CB 4.11Å; V310-L343 HydrophobicContact CG1-CD2 4.32Å; V310-L343 HydrophobicContact CG2-CB 4.26Å; V310-V382 HydrophobicContact CG2-CG2 4.03Å; V310-M385 WeakPolarHBondContact CA-O 3.21Å; V310-A386 HydrophobicContact CG1-CB 4.02Å
311	A	97.6	Very high	96.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	145	165.6	0	0	0	0	0	111	L161 I337 H339 M385	L161-A311 HydrophobicContact CD1-CB 4.27Å; L161-A311 HydrophobicContact CD2-CB 4.31Å; A311-I337 HydrophobicContact CB-CB 4.31Å; A311-I337 HydrophobicContact CB-CD1 4.06Å; A311-H339 CarbonylContact C-O 3.42Å; A311-H339 VanDerWaalsContact CA-O 3.28Å; A311-H339 WeakPolarHBondContact CA-O 3.36Å; A311-M385 HydrophobicContact CB-CB 3.94Å; A311-M385 HydrophobicContact CB-CG 4.3Å; A311-M385 HydrophobicContact CB-SD 3.81Å; A311-M385 PolarHBondContact N-O 3.22Å
312	I	97.7	Very high	96.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.6	175.9	57	174.9	0	0	0	110.5	M317 D338 H339 V341 Y371 L373 C380 V382	I312-M317 HydrophobicContact CD1-CE 4.11Å; I312-M317 HydrophobicContact CD1-SD 3.4Å; I312-M317 WeakPolarHBondContact CD1-SD 3.34Å; I312-M317 HydrophobicContact CG1-SD 4.35Å; I312-D338 PolarHBondContact O-N 2.92Å; I312-H339 HydrophobicContact CG1-CB 4.38Å; I312-H339 PolarHBondContact N-O 3.37Å; I312-H339 PolarHBondContact O-N 3.06Å; I312-V341 HydrophobicContact CD1-CG1 4.28Å; I312-V341 HydrophobicContact CD1-CG2 3.91Å; I312-V341 HydrophobicContact CG1-CG2 3.99Å; I312-V341 HydrophobicContact CG2-CG2 4.44Å; I312-Y371 HydrophobicContact CD1-CD1 4.3Å; I312-Y371 HydrophobicContact CD1-CE1 4.27Å; I312-L373 HydrophobicContact CG2-CD2 4.48Å; I312-C380 WeakPolarHBondContact CA-O 3.43Å; I312-C380 HydrophobicContact CB-CB 4.24Å; I312-V382 HydrophobicContact CG2-CB 3.76Å; I312-V382 HydrophobicContact CG2-CG2 3.88Å
313	N	96.8	Very high	96.9	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	9%	0.094	C	C	.	.			trans	-75.7	116.8	158.6	179.4	-22.7	0	0	0	108.1	F315 C332 S333 L336 C380	N313-F315 PolarHBondContact O-N 3.01Å; N313-F315 WeakPolarHBondContact OD1-CB 3.22Å; N313-F315 PolarHBondContact OD1-N 3.37Å; N313-C332 PolarHBondContact O-SG 3.23Å; N313-S333 PolarHBondContact ND2-N 2.88Å; N313-S333 VanDerWaalsContact ND2-N 3.14Å; N313-S333 PolarHBondContact ND2-O 3.47Å; N313-S333 VanDerWaalsContact ND2-O 3.15Å; N313-L336 WeakPolarHBondContact CB-O 3.44Å; N313-L336 VanDerWaalsContact CG-O 3.29Å; N313-L336 WeakPolarHBondContact ND2-CB 3.4Å; N313-L336 PolarHBondContact ND2-O 3.14Å; N313-C380 HydrophobicContact CB-CB 4.35Å; N313-C380 PolarHBondContact N-O 3.16Å
314	A	95.4	Very high	96.9	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	9%	0.091	C	C	.	.			trans	-83.4	18.3	-178	0	0	0	0	0	113.6	L157 G316 M317 D338 H339 W361	L157-A314 HydrophobicContact CD1-CB 4.38Å; L157-A314 HydrophobicContact CD2-CB 3.85Å; A314-G316 PolarHBondContact O-N 3.29Å; A314-G316 VanDerWaalsContact O-N 3.15Å; A314-M317 HydrophobicContact CB-CB 4.28Å; A314-M317 HydrophobicContact CB-CG 4.26Å; A314-M317 HydrophobicContact CB-SD 3.64Å; A314-M317 WeakPolarHBondContact O-CB 3.41Å; A314-M317 PolarHBondContact O-N 3.46Å; A314-D338 PolarHBondContact N-OD1 3.15Å; A314-H339 HydrophobicContact CB-CB 3.6Å; A314-W361 HydrophobicContact CB-CH2 4.39Å
315	F	86.4	Confident	97	Very high	48 Å²	48	16.7 Å²	16.7	21%	0.211	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	123.2	177.1	-177	-89.4	0	0	0	111.2	I129 N313 M317 L331	I129-F315 HydrophobicContact CD1-CE1 4.38Å; I129-F315 HydrophobicContact CG1-CE1 4.1Å; I129-F315 HydrophobicContact CG1-CZ 4.43Å; N313-F315 PolarHBondContact O-N 3.01Å; N313-F315 WeakPolarHBondContact OD1-CB 3.22Å; N313-F315 PolarHBondContact OD1-N 3.37Å; F315-M317 PolarHBondContact O-N 2.78Å; F315-L331 VanDerWaalsContact CB-O 3.3Å; F315-L331 WeakPolarHBondContact CB-O 3.34Å; F315-L331 HydrophobicContact CD1-CB 3.86Å; F315-L331 WeakPolarHBondContact CD1-O 3.32Å; F315-L331 HydrophobicContact CE1-CB 3.64Å; F315-L331 HydrophobicContact CE1-CD1 4.35Å; F315-L331 HydrophobicContact CE1-CD2 3.97Å; F315-L331 HydrophobicContact CE1-CG 4.19Å; F315-L331 WeakPolarHBondContact CG-O 3.4Å; F315-L331 HydrophobicContact CZ-CB 4.34Å; F315-L331 HydrophobicContact CZ-CD2 3.92Å
316	G	88.6	Confident	96.9	Very high	4 Å²	4	14.2 Å²	14.2	4%	0.041	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-10.9	-179.9	0	0	0	0	0	115.4	A314 Q318 F319 Y320	A314-G316 PolarHBondContact O-N 3.29Å; A314-G316 VanDerWaalsContact O-N 3.15Å; G316-Q318 PolarHBondContact O-N 3.01Å; G316-F319 PolarHBondContact O-N 2.95Å; G316-F319 VanDerWaalsContact O-N 3.14Å; G316-Y320 PolarHBondContact O-N 3.36Å
317	M	97.2	Very high	96.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.6	173.7	-69.4	-177.9	69.1	0	0	112.2	I312 A314 F315 F319 Y320 W361 W365 Y371	I312-M317 HydrophobicContact CD1-CE 4.11Å; I312-M317 HydrophobicContact CD1-SD 3.4Å; I312-M317 WeakPolarHBondContact CD1-SD 3.34Å; I312-M317 HydrophobicContact CG1-SD 4.35Å; A314-M317 HydrophobicContact CB-CB 4.28Å; A314-M317 HydrophobicContact CB-CG 4.26Å; A314-M317 HydrophobicContact CB-SD 3.64Å; A314-M317 WeakPolarHBondContact O-CB 3.41Å; A314-M317 PolarHBondContact O-N 3.46Å; F315-M317 PolarHBondContact O-N 2.78Å; M317-F319 PolarHBondContact O-N 2.89Å; M317-Y320 PolarHBondContact O-N 3.34Å; M317-W361 HydrophobicContact CB-CH2 3.89Å; M317-W361 HydrophobicContact CB-CZ3 3.78Å; M317-W361 HydrophobicContact CE-CH2 4.15Å; M317-W361 HydrophobicContact CE-CZ3 4.15Å; M317-W365 HydrophobicContact CB-CZ2 3.94Å; M317-W365 HydrophobicContact CE-CH2 3.5Å; M317-W365 HydrophobicContact CE-CZ2 3.94Å; M317-W365 HydrophobicContact CE-CZ3 4.4Å; M317-W365 WeakPolarHBondContact O-CZ2 3.4Å; M317-W365 PolarHBondContact O-NE1 2.94Å; M317-Y371 HydrophobicContact CE-CD1 4Å; M317-Y371 HydrophobicContact CE-CE1 4.49Å; M317-Y371 HydrophobicContact CE-CG 4.11Å; M317-Y371 HydrophobicContact CG-CE1 4.14Å; M317-Y371 HydrophobicContact CG-CE2 4.29Å; M317-Y371 HydrophobicContact SD-CD1 4.21Å; M317-Y371 HydrophobicContact SD-CE1 4.12Å
318	Q	97.3	Very high	96.5	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.023	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-49.3	-33.8	173.7	-170.6	178.9	-1.5	0	0	112.2	T142 F144 L147 F152 G316	T142-Q318 WeakPolarHBondContact CB-O 3.21Å; T142-Q318 VanDerWaalsContact CG2-O 3.28Å; T142-Q318 WeakPolarHBondContact CG2-O 3.25Å; T142-Q318 PolarHBondContact OG1-O 3.37Å; F144-Q318 HydrophobicContact CB-CG 3.68Å; F144-Q318 PolarHBondContact O-NE2 3.05Å; L147-Q318 PolarHBondContact O-NE2 2.87Å; L147-Q318 VanDerWaalsContact O-NE2 3.13Å; F152-Q318 HydrophobicContact CD1-CB 4.13Å; F152-Q318 HydrophobicContact CD1-CG 4.21Å; F152-Q318 HydrophobicContact CD2-CB 4.41Å; F152-Q318 HydrophobicContact CD2-CG 3.84Å; F152-Q318 HydrophobicContact CE1-CB 3.84Å; F152-Q318 HydrophobicContact CE1-CG 4.29Å; F152-Q318 HydrophobicContact CE2-CB 4.15Å; F152-Q318 HydrophobicContact CE2-CG 3.94Å; F152-Q318 HydrophobicContact CG-CB 4.4Å; F152-Q318 HydrophobicContact CG-CG 3.97Å; F152-Q318 HydrophobicContact CZ-CB 3.84Å; F152-Q318 HydrophobicContact CZ-CG 4.15Å; G316-Q318 PolarHBondContact O-N 3.01Å
319	F	98.3	Very high	96.1	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-113	1.4	-175	-47.5	-60.5	0	0	0	114.1	N122 R125 A126 I129 Y139 G140 G316 M317 R321	N122-F319 HydrophobicContact CB-CE1 3.63Å; N122-F319 HydrophobicContact CB-CZ 3.83Å; R125-F319 HydrophobicContact CB-CE2 4.27Å; R125-F319 HydrophobicContact CG-CE2 3.88Å; A126-F319 HydrophobicContact CB-CB 3.78Å; A126-F319 HydrophobicContact CB-CD1 4.29Å; A126-F319 HydrophobicContact CB-CD2 4.09Å; A126-F319 HydrophobicContact CB-CG 3.77Å; I129-F319 HydrophobicContact CD1-CD2 3.78Å; I129-F319 HydrophobicContact CD1-CE2 4.17Å; Y139-F319 CarbonylContact C-O 3.58Å; Y139-F319 WeakPolarHBondContact CA-O 3.19Å; Y139-F319 HydrophobicContact CD1-CB 4.28Å; G140-F319 PolarHBondContact N-O 3.05Å; G316-F319 PolarHBondContact O-N 2.95Å; G316-F319 VanDerWaalsContact O-N 3.14Å; M317-F319 PolarHBondContact O-N 2.89Å; F319-R321 PolarHBondContact O-N 3.45Å
320	Y	98.6	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134.1	-176.3	174.4	-95.6	0	0	0	111.9	A137 Y139 G316 M317 H322 G323 W365 E367 Y370 Y371 Y372	A137-Y320 HydrophobicContact CB-CD2 4.31Å; A137-Y320 HydrophobicContact CB-CE2 4.15Å; Y139-Y320 HydrophobicContact CE1-CD2 4.46Å; G316-Y320 PolarHBondContact O-N 3.36Å; M317-Y320 PolarHBondContact O-N 3.34Å; Y320-H322 WeakPolarHBondContact CE2-O 3.39Å; Y320-G323 VanDerWaalsContact CE2-O 3.26Å; Y320-G323 WeakPolarHBondContact CE2-O 3.41Å; Y320-G323 PolarHBondContact OH-N 3.38Å; Y320-G323 PolarHBondContact OH-O 2.94Å; Y320-W365 AromaticContact CD1-CH2 3.85Å; Y320-W365 HydrophobicContact CD1-CH2 3.85Å; Y320-W365 AromaticContact CD1-CZ2 3.96Å; Y320-W365 HydrophobicContact CD1-CZ2 3.96Å; Y320-W365 HydrophobicContact CD1-CZ3 4.43Å; Y320-W365 HydrophobicContact CG-CZ2 4.38Å; Y320-E367 PolarHBondContact OH-OE1 2.92Å; Y320-Y370 WeakPolarHBondContact CE1-O 3.45Å; Y320-Y371 AromaticContact CD1-CD2 3.67Å; Y320-Y371 HydrophobicContact CD1-CD2 3.67Å; Y320-Y371 HydrophobicContact CD1-CE2 4.3Å; Y320-Y371 AromaticContact CD2-CD2 3.75Å; Y320-Y371 HydrophobicContact CD2-CD2 3.75Å; Y320-Y371 AromaticContact CD2-CE2 3.58Å; Y320-Y371 HydrophobicContact CD2-CE2 3.58Å; Y320-Y371 AromaticContact CE1-CD2 3.69Å; Y320-Y371 HydrophobicContact CE1-CD2 3.69Å; Y320-Y371 AromaticContact CE2-CD2 3.75Å; Y320-Y371 HydrophobicContact CE2-CD2 3.75Å; Y320-Y371 AromaticContact CE2-CE2 3.8Å; Y320-Y371 HydrophobicContact CE2-CE2 3.8Å; Y320-Y371 AromaticContact CG-CD2 3.68Å; Y320-Y371 HydrophobicContact CG-CD2 3.68Å; Y320-Y371 AromaticContact CG-CE2 3.82Å; Y320-Y371 HydrophobicContact CG-CE2 3.82Å; Y320-Y371 AromaticContact CZ-CD2 3.7Å; Y320-Y372 PolarHBondContact OH-N 2.78Å
321	R	98.4	Very high	95	Very high	79 Å²	79	34.3 Å²	34.3	30%	0.298	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-54.7	176.2	-59.4	-58.1	-65.4	162.2	0.7	112.2	Q138 V141 F319 D364 G366 E367	Q138-R321 WeakPolarHBondContact O-CB 3.31Å; Q138-R321 PolarHBondContact O-N 2.88Å; V141-R321 WeakPolarHBondContact O-CD 3.28Å; V141-R321 PolarHBondContact O-NE 2.84Å; V141-R321 PolarHBondContact O-NH1 2.83Å; F319-R321 PolarHBondContact O-N 3.45Å; R321-D364 PolarHBondContact NH1-O 3.18Å; R321-G366 CarbonylContact O-C 3.19Å; R321-G366 VanDerWaalsContact O-CA 3.3Å; R321-G366 WeakPolarHBondContact O-CA 3.47Å; R321-E367 PolarHBondContact O-N 3.24Å
322	H	98.1	Very high	94.7	Very high	67 Å²	67	34.4 Å²	34.4	31%	0.31	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	179.5	178.1	65.6	92.7	0	0	0	111.9	A137 Q138 Y320 E367	A137-H322 CarbonylContact C-O 3.57Å; A137-H322 VanDerWaalsContact CA-O 3.23Å; A137-H322 WeakPolarHBondContact CA-O 3.39Å; Q138-H322 PolarHBondContact N-O 3.01Å; Q138-H322 PolarHBondContact NE2-CE1 3.1Å; Q138-H322 PolarHBondContact OE1-CE1 3.38Å; Q138-H322 PolarHBondContact OE1-NE2 3.02Å; Y320-H322 WeakPolarHBondContact CE2-O 3.39Å; H322-E367 HydrophobicContact CB-CG 3.38Å
323	G	98.3	Very high	94.4	Very high	7 Å²	7	35.4 Å²	35.4	7%	0.072	17%	0.171	C	C	.	.	S	Bend	trans	84.7	178.7	-179	0	0	0	0	0	112.6	Y320 E367	Y320-G323 VanDerWaalsContact CE2-O 3.26Å; Y320-G323 WeakPolarHBondContact CE2-O 3.41Å; Y320-G323 PolarHBondContact OH-N 3.38Å; Y320-G323 PolarHBondContact OH-O 2.94Å; G323-E367 PolarHBondContact N-OE1 3.38Å
324	I	98.6	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.7	-176.7	-59.8	165.5	0	0	0	109	G135 T136 A137 R349 V352 F354 H374	G135-I324 CarbonylContact C-O 3.51Å; G135-I324 VanDerWaalsContact CA-O 3.27Å; G135-I324 WeakPolarHBondContact CA-O 3.22Å; T136-I324 PolarHBondContact N-O 2.74Å; T136-I324 PolarHBondContact OG1-N 2.76Å; A137-I324 PolarHBondContact N-O 3.26Å; A137-I324 VanDerWaalsContact N-O 3.12Å; I324-R349 HydrophobicContact CD1-CB 3.81Å; I324-R349 HydrophobicContact CD1-CG 4.24Å; I324-V352 HydrophobicContact CB-CG1 4.18Å; I324-V352 HydrophobicContact CD1-CB 3.76Å; I324-V352 HydrophobicContact CD1-CG1 3.77Å; I324-V352 WeakPolarHBondContact CD1-O 3.4Å; I324-V352 HydrophobicContact CG2-CG1 3.87Å; I324-F354 HydrophobicContact CD1-CB 3.88Å; I324-F354 HydrophobicContact CD1-CD1 3.89Å; I324-F354 HydrophobicContact CD1-CG 4.26Å; I324-F354 HydrophobicContact CG1-CB 3.92Å; I324-F354 HydrophobicContact CG1-CD1 4.48Å; I324-F354 HydrophobicContact CG1-CG 4.46Å; I324-F354 HydrophobicContact CG2-CB 4.06Å; I324-H374 HydrophobicContact CG2-CB 4.29Å
325	S	97.9	Very high	93.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.5	176.7	-179.3	0	0	0	0	110.4	Y139 P327 Y371 Y372 H374	Y139-S325 PolarHBondContact OH-OG 2.73Å; S325-P327 WeakPolarHBondContact OG-CD 3.41Å; S325-Y371 WeakPolarHBondContact CB-OH 3.2Å; S325-Y371 PolarHBondContact OG-OH 3.47Å; S325-Y372 WeakPolarHBondContact CB-O 3.45Å; S325-Y372 PolarHBondContact N-O 2.89Å; S325-H374 WeakPolarHBondContact O-CB 3.26Å; S325-H374 PolarHBondContact O-N 2.88Å
326	R	96.7	Very high	93.9	Very high	81 Å²	81	46.3 Å²	46.3	31%	0.306	22%	0.217	S	C	.	.			trans	-138.5	69.9	175.4	-167.8	-176.6	-172.8	-170.8	6.6	109.5	D133 R134 H374	D133-R326 PolarHBondContact OD1-N 3.16Å; D133-R326 VanDerWaalsContact OD1-N 3.12Å; D133-R326 PolarHBondContact OD2-N 2.9Å; R134-R326 HydrophobicContact CB-CB 4.28Å; R134-R326 HydrophobicContact CB-CG 4.17Å; R134-R326 PolarHBondContact N-O 3.44Å; R326-H374 HydrophobicContact CB-CB 3.85Å; R326-H374 HydrophobicContact CG-CB 3.69Å; R326-H374 PolarHBondContact NE-CD2 2.74Å; R326-H374 PolarHBondContact NE-NE2 3.46Å
327	P	95.1	Very high	94.2	Very high	20 Å²	20	46.8 Å²	46.8	13%	0.13	22%	0.219	C	C	.	.			trans	-70.8	152.9	-175.7	28.2	-34.2	0	0	0	110.8	D133 S325 C332 C380	D133-P327 VanDerWaalsContact OD2-N 3.13Å; S325-P327 WeakPolarHBondContact OG-CD 3.41Å; P327-C332 HydrophobicContact CB-CB 3.87Å; P327-C332 HydrophobicContact CG-CB 3.48Å; P327-C332 VanDerWaalsContact CG-CB 3.48Å; P327-C380 VanDerWaalsContact CG-SG 3.54Å
328	L	92.8	Very high	94.2	Very high	63 Å²	63	46.9 Å²	46.9	33%	0.33	22%	0.219	S	C	.	.			trans	-62	140.6	171	-66.3	173.2	0	0	0	110.3	L132 R134 P330 L331 C332	L132-L328 HydrophobicContact CD2-CD1 4.38Å; R134-L328 HydrophobicContact CG-CD2 4.3Å; L328-P330 VanDerWaalsContact C-CD 3.46Å; L328-P330 VanDerWaalsContact C-N 3.33Å; L328-L331 HydrophobicContact CB-CD1 4.21Å; L328-L331 HydrophobicContact CB-CG 4.39Å; L328-L331 WeakPolarHBondContact O-CB 3.4Å; L328-L331 PolarHBondContact O-N 3.48Å; L328-C332 PolarHBondContact O-N 2.74Å
329	R	89.9	Confident	94.2	Very high	171 Å²	171	46.7 Å²	46.7	65%	0.645	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-37.9	-177.4	-168.5	175.3	-177.8	154.2	1.2	114.3	L331 C332 S333	R329-L331 VanDerWaalsContact C-N 3.31Å; R329-L331 PolarHBondContact O-N 3.04Å; R329-C332 CarbonylContact O-C 3.21Å; R329-S333 WeakPolarHBondContact O-CA 3.27Å; R329-S333 PolarHBondContact O-N 2.69Å; R329-S333 VanDerWaalsContact O-N 3.07Å
330	P	89.1	Confident	94.2	Very high	116 Å²	116	46.6 Å²	46.6	75%	0.753	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-31.2	175.1	-24	36	0	0	0	114	L328	L328-P330 VanDerWaalsContact C-CD 3.46Å; L328-P330 VanDerWaalsContact C-N 3.33Å
331	L	87.1	Confident	94.2	Very high	52 Å²	52	46.7 Å²	46.7	27%	0.272	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-41.8	177.8	-66	175.9	0	0	0	111.1	L132 F315 L328 R329	L132-L331 HydrophobicContact CB-CD1 4.03Å; L132-L331 HydrophobicContact CD1-CD1 3.85Å; F315-L331 VanDerWaalsContact CB-O 3.3Å; F315-L331 WeakPolarHBondContact CB-O 3.34Å; F315-L331 HydrophobicContact CD1-CB 3.86Å; F315-L331 WeakPolarHBondContact CD1-O 3.32Å; F315-L331 HydrophobicContact CE1-CB 3.64Å; F315-L331 HydrophobicContact CE1-CD1 4.35Å; F315-L331 HydrophobicContact CE1-CD2 3.97Å; F315-L331 HydrophobicContact CE1-CG 4.19Å; F315-L331 WeakPolarHBondContact CG-O 3.4Å; F315-L331 HydrophobicContact CZ-CB 4.34Å; F315-L331 HydrophobicContact CZ-CD2 3.92Å; L328-L331 HydrophobicContact CB-CD1 4.21Å; L328-L331 HydrophobicContact CB-CG 4.39Å; L328-L331 WeakPolarHBondContact O-CB 3.4Å; L328-L331 PolarHBondContact O-N 3.48Å; R329-L331 VanDerWaalsContact C-N 3.31Å; R329-L331 PolarHBondContact O-N 3.04Å
332	C	91.1	Very high	94.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	63.5	178	-143.4	0	0	0	0	110.8	N313 P327 L328 R329 P334 C380	N313-C332 PolarHBondContact O-SG 3.23Å; P327-C332 HydrophobicContact CB-CB 3.87Å; P327-C332 HydrophobicContact CG-CB 3.48Å; P327-C332 VanDerWaalsContact CG-CB 3.48Å; L328-C332 PolarHBondContact O-N 2.74Å; R329-C332 CarbonylContact O-C 3.21Å; C332-P334 WeakPolarHBondContact O-CD 3.33Å; C332-C380 HydrophobicContact CB-CB 4.07Å; C332-C380 WeakPolarHBondContact CB-SG 3.33Å; C332-C380 WeakPolarHBondContact O-CA 3.41Å; C332-C380 WeakPolarHBondContact SG-CA 3.3Å; C332-C380 WeakPolarHBondContact SG-CB 3.25Å; C332-C380 CovalentContact SG-SG 2.02Å; C332-C380 PolarHBondContact SG-SG 2.89Å
333	S	91.8	Very high	94.3	Very high	21 Å²	21	40 Å²	40	15%	0.147	19%	0.191	C	C	.	.			trans	-62.9	128.5	-176.1	178.2	0	0	0	0	111.2	N313 R329 W335 L336	N313-S333 PolarHBondContact ND2-N 2.88Å; N313-S333 VanDerWaalsContact ND2-N 3.14Å; N313-S333 PolarHBondContact ND2-O 3.47Å; N313-S333 VanDerWaalsContact ND2-O 3.15Å; R329-S333 WeakPolarHBondContact O-CA 3.27Å; R329-S333 PolarHBondContact O-N 2.69Å; R329-S333 VanDerWaalsContact O-N 3.07Å; S333-W335 PolarHBondContact O-N 3.09Å; S333-W335 VanDerWaalsContact O-N 3.1Å; S333-W335 PolarHBondContact OG-N 3.46Å; S333-L336 PolarHBondContact O-N 3.25Å
334	P	89.4	Confident	94.3	Very high	16 Å²	16	39.6 Å²	39.6	10%	0.104	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.7	174.2	-26.5	35.9	0	0	0	114.6	C332 L336 T384	C332-P334 WeakPolarHBondContact O-CD 3.33Å; P334-L336 VanDerWaalsContact C-N 3.34Å; P334-T384 HydrophobicContact CB-CG2 4.29Å
335	W	86.2	Confident	94.3	Very high	199 Å²	199	39.6 Å²	39.6	75%	0.754	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.1	178.4	-53.2	103.5	0	0	0	113.1	R162 S333	R162-W335 WeakPolarHBondContact CD-O 3.37Å; R162-W335 WeakPolarHBondContact CG-O 3.42Å; S333-W335 PolarHBondContact O-N 3.09Å; S333-W335 VanDerWaalsContact O-N 3.1Å; S333-W335 PolarHBondContact OG-N 3.46Å
336	L	92.1	Very high	94.4	Very high	68 Å²	68	39.9 Å²	39.9	36%	0.356	19%	0.188	S	C	.	.			trans	-113	37.8	-175.3	-59.9	-176.7	0	0	0	111.6	N313 S333 P334 D338	N313-L336 WeakPolarHBondContact CB-O 3.44Å; N313-L336 VanDerWaalsContact CG-O 3.29Å; N313-L336 WeakPolarHBondContact ND2-CB 3.4Å; N313-L336 PolarHBondContact ND2-O 3.14Å; S333-L336 PolarHBondContact O-N 3.25Å; P334-L336 VanDerWaalsContact C-N 3.34Å; L336-D338 PolarHBondContact O-N 3.29Å
337	I	94.3	Very high	94.4	Very high	13 Å²	13	36 Å²	36	7%	0.067	17%	0.174	C	C	.	.			trans	-61.8	133	174.8	57.9	174.7	0	0	0	110.6	L161 A311 M385	L161-I337 HydrophobicContact CB-CD1 4.34Å; L161-I337 HydrophobicContact CB-CG1 4.24Å; A311-I337 HydrophobicContact CB-CB 4.31Å; A311-I337 HydrophobicContact CB-CD1 4.06Å; I337-M385 HydrophobicContact CD1-CB 4.34Å; I337-M385 HydrophobicContact CD1-CE 3.45Å; I337-M385 VanDerWaalsContact CD1-CE 3.45Å; I337-M385 HydrophobicContact CD1-SD 4.19Å
338	D	96.5	Very high	94.6	Very high	3 Å²	3	39 Å²	39	2%	0.016	19%	0.189	C	C	.	.			trans	-148.5	8.5	-176.4	55.8	12	0	0	0	113.2	R153 L157 N158 I312 A314 L336	R153-D338 IonicContact CZ-OD2 3.5Å; R153-D338 IonicContact NH1-OD2 2.87Å; R153-D338 PolarHBondContact NH1-OD2 2.69Å; R153-D338 IonicContact NH2-OD2 2.83Å; R153-D338 PolarHBondContact NH2-OD2 3.38Å; L157-D338 WeakPolarHBondContact CB-O 3.22Å; L157-D338 HydrophobicContact CD1-CB 4.49Å; N158-D338 PolarHBondContact N-O 2.89Å; N158-D338 CarbonylContact O-C 3.48Å; N158-D338 WeakPolarHBondContact O-CA 3.49Å; I312-D338 PolarHBondContact O-N 2.92Å; A314-D338 PolarHBondContact N-OD1 3.15Å; L336-D338 PolarHBondContact O-N 3.29Å
339	H	98.2	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	133.6	178.3	-165.6	45	0	0	0	111.8	L157 C203 A311 I312 A314 V341 N359 W361	L157-H339 HydrophobicContact CD2-CB 4.18Å; C203-H339 WeakPolarHBondContact CB-CE1 3.43Å; C203-H339 WeakPolarHBondContact CB-ND1 3.38Å; A311-H339 CarbonylContact C-O 3.42Å; A311-H339 VanDerWaalsContact CA-O 3.28Å; A311-H339 WeakPolarHBondContact CA-O 3.36Å; I312-H339 HydrophobicContact CG1-CB 4.38Å; I312-H339 PolarHBondContact N-O 3.37Å; I312-H339 PolarHBondContact O-N 3.06Å; A314-H339 HydrophobicContact CB-CB 3.6Å; H339-V341 WeakPolarHBondContact CD2-CG1 3.32Å; H339-V341 WeakPolarHBondContact NE2-CG1 3.44Å; H339-N359 PolarHBondContact NE2-OD1 3.39Å; H339-W361 AromaticContact CD2-CZ2 3.78Å; H339-W361 AromaticContact CE1-CE2 3.67Å; H339-W361 AromaticContact CE1-CZ2 3.5Å; H339-W361 VanDerWaalsContact CE1-CZ2 3.5Å; H339-W361 WeakPolarHBondContact CE1-CZ2 3.07Å; H339-W361 AromaticContact CE1-NE1 3.53Å; H339-W361 AromaticContact ND1-CZ2 3.96Å; H339-W361 AromaticContact NE2-CE2 3.65Å; H339-W361 AromaticContact NE2-CZ2 3.37Å; H339-W361 WeakPolarHBondContact NE2-CZ2 3.47Å; H339-W361 AromaticContact NE2-NE1 3.88Å
340	A	98.5	Very high	94.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.7	175.3	0	0	0	0	0	110.2	L161 C203 V310	L161-A340 HydrophobicContact CD1-CB 4.25Å; C203-A340 HydrophobicContact CB-CB 4.48Å; C203-A340 PolarHBondContact SG-N 3.5Å; V310-A340 WeakPolarHBondContact O-CA 3.36Å
341	V	98.8	Very high	94.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	161.4	-172.8	-65.8	0	0	0	0	110.6	S207 V310 I312 H339 I357	S207-V341 VanDerWaalsContact OG-C 3.32Å; S207-V341 PolarHBondContact OG-N 3.34Å; S207-V341 PolarHBondContact OG-O 3.46Å; V310-V341 HydrophobicContact CG2-CG2 3.62Å; V310-V341 WeakPolarHBondContact CG2-O 3.42Å; V310-V341 PolarHBondContact N-O 2.91Å; V310-V341 PolarHBondContact O-N 3.32Å; I312-V341 HydrophobicContact CD1-CG1 4.28Å; I312-V341 HydrophobicContact CD1-CG2 3.91Å; I312-V341 HydrophobicContact CG1-CG2 3.99Å; I312-V341 HydrophobicContact CG2-CG2 4.44Å; H339-V341 WeakPolarHBondContact CD2-CG1 3.32Å; H339-V341 WeakPolarHBondContact NE2-CG1 3.44Å; V341-I357 HydrophobicContact CB-CG2 3.47Å; V341-I357 VanDerWaalsContact CB-CG2 3.47Å; V341-I357 HydrophobicContact CG1-CG2 4.11Å; V341-I357 HydrophobicContact CG2-CG2 3.37Å
342	L	98.9	Very high	95.4	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.9	-178.9	-175.8	75.9	0	0	0	111.3	G210 N211 P307 V344 I357 K358	G210-L342 WeakPolarHBondContact O-CD2 3.28Å; N211-L342 HydrophobicContact CB-CD1 3.9Å; P307-L342 HydrophobicContact CB-CD1 3.82Å; P307-L342 HydrophobicContact CB-CD2 4.06Å; P307-L342 HydrophobicContact CB-CG 3.99Å; L342-V344 HydrophobicContact CB-CG1 4.47Å; L342-V344 HydrophobicContact CD2-CG1 3.62Å; L342-V344 HydrophobicContact CG-CG1 3.8Å; L342-V344 PolarHBondContact O-N 2.85Å; L342-I357 CarbonylContact O-C 3.54Å; L342-I357 WeakPolarHBondContact O-CA 3.47Å; L342-K358 HydrophobicContact CB-CB 4.2Å; L342-K358 HydrophobicContact CD2-CD 4.1Å; L342-K358 PolarHBondContact N-O 2.97Å; L342-K358 PolarHBondContact O-N 3.2Å
343	L	98.9	Very high	95.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.2	171.7	-163.3	68.8	0	0	0	109.3	L298 L302 P307 I308 V310 W355 I357 V382	L298-L343 HydrophobicContact CD2-CD2 3.94Å; L298-L343 HydrophobicContact CG-CD2 4.26Å; L302-L343 HydrophobicContact CD1-CB 4.09Å; L302-L343 HydrophobicContact CD1-CD2 3.77Å; L302-L343 HydrophobicContact CD1-CG 3.56Å; L302-L343 WeakPolarHBondContact CD1-O 3.3Å; P307-L343 CarbonylContact C-O 3.6Å; P307-L343 VanDerWaalsContact CA-O 3.27Å; P307-L343 WeakPolarHBondContact CA-O 3.1Å; I308-L343 HydrophobicContact CB-CB 4.16Å; I308-L343 HydrophobicContact CD1-CD2 4.41Å; I308-L343 PolarHBondContact N-O 3.29Å; I308-L343 WeakPolarHBondContact O-CB 3.45Å; I308-L343 PolarHBondContact O-N 3.43Å; V310-L343 HydrophobicContact CG1-CB 4.11Å; V310-L343 HydrophobicContact CG1-CD2 4.32Å; V310-L343 HydrophobicContact CG2-CB 4.26Å; L343-W355 HydrophobicContact CD1-CB 3.59Å; L343-W355 HydrophobicContact CD1-CD2 3.76Å; L343-W355 HydrophobicContact CD1-CE3 3.65Å; L343-W355 HydrophobicContact CD1-CG 3.76Å; L343-W355 HydrophobicContact CD2-CD2 4.07Å; L343-W355 HydrophobicContact CD2-CE3 3.63Å; L343-W355 HydrophobicContact CD2-CH2 4.27Å; L343-W355 HydrophobicContact CD2-CZ3 3.76Å; L343-W355 HydrophobicContact CG-CD2 4.37Å; L343-W355 HydrophobicContact CG-CE3 3.85Å; L343-W355 HydrophobicContact CG-CZ3 4.35Å; L343-I357 HydrophobicContact CD1-CD1 4.42Å; L343-I357 HydrophobicContact CD1-CG1 3.69Å; L343-V382 HydrophobicContact CD1-CG2 4.44Å
344	V	98.9	Very high	96.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-13.3	-171.3	-64.8	0	0	0	0	113.9	W185 R186 V191 P307 L342 A356 K358 Y370	W185-V344 WeakPolarHBondContact CB-O 2.95Å; W185-V344 PolarHBondContact N-O 3.38Å; R186-V344 HydrophobicContact CG-CG2 4.24Å; V191-V344 HydrophobicContact CG1-CG1 3.95Å; V191-V344 HydrophobicContact CG2-CB 3.92Å; V191-V344 HydrophobicContact CG2-CG1 3.72Å; P307-V344 HydrophobicContact CB-CG1 4.41Å; L342-V344 HydrophobicContact CB-CG1 4.47Å; L342-V344 HydrophobicContact CD2-CG1 3.62Å; L342-V344 HydrophobicContact CG-CG1 3.8Å; L342-V344 PolarHBondContact O-N 2.85Å; V344-A356 HydrophobicContact CG2-CB 4.11Å; V344-A356 WeakPolarHBondContact CG2-O 3.48Å; V344-A356 PolarHBondContact N-O 3.2Å; V344-K358 HydrophobicContact CG1-CB 3.91Å; V344-Y370 HydrophobicContact CG2-CD1 4.26Å; V344-Y370 HydrophobicContact CG2-CE1 4.02Å
345	G	98.8	Very high	96.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	178.7	-178	0	0	0	0	0	113	W183 A356	W183-G345 CarbonylContact O-C 3.48Å; W183-G345 WeakPolarHBondContact O-CA 3.47Å; G345-A356 PolarHBondContact N-O 3.5Å; G345-A356 PolarHBondContact O-N 3.47Å
346	Y	98.8	Very high	97.1	Very high	6 Å²	6	29.3 Å²	29.3	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	160.9	173	62.2	-93.6	0	0	0	109.8	A179 P180 E182 W183 A299 L302 A303 F354 W355	A179-Y346 WeakPolarHBondContact CB-OH 3.34Å; P180-Y346 WeakPolarHBondContact CD-OH 3.4Å; P180-Y346 WeakPolarHBondContact O-CE2 3.12Å; P180-Y346 PolarHBondContact O-OH 3.48Å; E182-Y346 WeakPolarHBondContact CA-O 3.47Å; W183-Y346 HydrophobicContact CB-CD1 4.23Å; W183-Y346 HydrophobicContact CB-CE1 3.61Å; W183-Y346 HydrophobicContact CB-CE2 4.39Å; W183-Y346 PolarHBondContact N-O 3.41Å; W183-Y346 PolarHBondContact O-N 2.94Å; W183-Y346 VanDerWaalsContact O-O 3.1Å; A299-Y346 HydrophobicContact CB-CD1 4.1Å; A299-Y346 HydrophobicContact CB-CE1 3.83Å; A299-Y346 HydrophobicContact CB-CE2 4.49Å; A299-Y346 WeakPolarHBondContact O-CE1 3.49Å; L302-Y346 HydrophobicContact CD2-CD1 3.99Å; L302-Y346 HydrophobicContact CD2-CE1 4.08Å; A303-Y346 HydrophobicContact CB-CE1 4.35Å; Y346-F354 WeakPolarHBondContact CA-O 3.38Å; Y346-F354 WeakPolarHBondContact CB-O 3.44Å; Y346-W355 HydrophobicContact CD1-CE3 4.39Å; Y346-W355 AromaticContact CD1-CZ3 3.72Å; Y346-W355 HydrophobicContact CD1-CZ3 3.72Å; Y346-W355 HydrophobicContact CG-CE3 4.36Å; Y346-W355 AromaticContact CG-CZ3 3.98Å; Y346-W355 HydrophobicContact CG-CZ3 3.98Å
347	G	98.3	Very high	97.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	-151.2	177.3	0	0	0	0	0	111.2	P353 F354	G347-P353 WeakPolarHBondContact O-CA 3.32Å; G347-F354 PolarHBondContact N-O 3.36Å; G347-F354 VanDerWaalsContact N-O 3.09Å; G347-F354 PolarHBondContact O-N 3.19Å
348	N	97.3	Very high	97.7	Very high	82 Å²	82	26.3 Å²	26.3	44%	0.439	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.6	179.2	-164.2	-16.7	0	0	0	109.9	D351 V352 F354	N348-D351 WeakPolarHBondContact OD1-CA 3.45Å; N348-D351 PolarHBondContact OD1-N 3.04Å; N348-D351 VanDerWaalsContact OD1-N 3.09Å; N348-V352 PolarHBondContact OD1-N 3.3Å; N348-V352 PolarHBondContact OD1-O 2.87Å; N348-V352 VanDerWaalsContact OD1-O 3.11Å; N348-F354 VanDerWaalsContact N-CE1 3.28Å
349	R	96.3	Very high	97.8	Very high	83 Å²	83	26.4 Å²	26.4	31%	0.313	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.9	168	-62.9	175.8	179.3	176.9	-7.5	107.8	I324 D351 V352 F354 E367 Y372	I324-R349 HydrophobicContact CD1-CB 3.81Å; I324-R349 HydrophobicContact CD1-CG 4.24Å; R349-D351 VanDerWaalsContact C-N 3.32Å; R349-D351 PolarHBondContact O-N 3.08Å; R349-V352 PolarHBondContact N-O 3.45Å; R349-V352 WeakPolarHBondContact O-CB 3.3Å; R349-V352 PolarHBondContact O-N 3.26Å; R349-F354 HydrophobicContact CG-CD1 3.97Å; R349-F354 HydrophobicContact CG-CE1 3.65Å; R349-E367 IonicContact CZ-OE1 2.84Å; R349-E367 IonicContact CZ-OE2 3.94Å; R349-E367 IonicContact NH1-OE1 3.9Å; R349-E367 PolarHBondContact NH1-OE1 3.32Å; R349-E367 IonicContact NH1-OE2 2.76Å; R349-E367 PolarHBondContact NH1-OE2 3.31Å; R349-E367 VanDerWaalsContact NH1-OE2 3.1Å; R349-E367 IonicContact NH2-OE1 3.8Å; R349-E367 IonicContact NH2-OE2 3.3Å; R349-E367 PolarHBondContact NH2-OE2 3.46Å; R349-Y372 PolarHBondContact NH2-OH 3.49Å
350	S	92.1	Very high	97.8	Very high	120 Å²	120	26.7 Å²	26.7	84%	0.839	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	52.2	-179.8	-51.6	0	0	0	0	112.7	V352	S350-V352 PolarHBondContact O-N 3.27Å; S350-V352 VanDerWaalsContact O-N 3.11Å
351	D	91.7	Very high	97.8	Very high	145 Å²	145	26.7 Å²	26.7	78%	0.775	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	7.4	-178.4	-57.1	-49.1	0	0	0	116.7	N348 R349 P353	N348-D351 WeakPolarHBondContact OD1-CA 3.45Å; N348-D351 PolarHBondContact OD1-N 3.04Å; N348-D351 VanDerWaalsContact OD1-N 3.09Å; R349-D351 VanDerWaalsContact C-N 3.32Å; R349-D351 PolarHBondContact O-N 3.08Å; D351-P353 WeakPolarHBondContact O-CD 3.38Å
352	V	96.5	Very high	97.8	Very high	32 Å²	32	27 Å²	27	19%	0.194	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.9	170.4	-171.2	0	0	0	0	110.6	I324 N348 R349 S350	I324-V352 HydrophobicContact CB-CG1 4.18Å; I324-V352 HydrophobicContact CD1-CB 3.76Å; I324-V352 HydrophobicContact CD1-CG1 3.77Å; I324-V352 WeakPolarHBondContact CD1-O 3.4Å; I324-V352 HydrophobicContact CG2-CG1 3.87Å; N348-V352 PolarHBondContact OD1-N 3.3Å; N348-V352 PolarHBondContact OD1-O 2.87Å; N348-V352 VanDerWaalsContact OD1-O 3.11Å; R349-V352 PolarHBondContact N-O 3.45Å; R349-V352 WeakPolarHBondContact O-CB 3.3Å; R349-V352 PolarHBondContact O-N 3.26Å; S350-V352 PolarHBondContact O-N 3.27Å; S350-V352 VanDerWaalsContact O-N 3.11Å
353	P	98	Very high	97.8	Very high	35 Å²	35	31.2 Å²	31.2	23%	0.227	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	139.2	177.3	30.3	-35.2	0	0	0	111.2	G347 D351 H374 R375	G347-P353 WeakPolarHBondContact O-CA 3.32Å; D351-P353 WeakPolarHBondContact O-CD 3.38Å; P353-H374 WeakPolarHBondContact O-CA 3.45Å; P353-R375 HydrophobicContact CB-CB 4.37Å; P353-R375 WeakPolarHBondContact CG-O 3.28Å; P353-R375 PolarHBondContact O-N 3.45Å
354	F	98.8	Very high	97.7	Very high	21 Å²	21	34.4 Å²	34.4	9%	0.092	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	158	-178.5	69.2	-96.3	0	0	0	113.1	I324 Y346 G347 N348 R349 A356 Y372 L373	I324-F354 HydrophobicContact CD1-CB 3.88Å; I324-F354 HydrophobicContact CD1-CD1 3.89Å; I324-F354 HydrophobicContact CD1-CG 4.26Å; I324-F354 HydrophobicContact CG1-CB 3.92Å; I324-F354 HydrophobicContact CG1-CD1 4.48Å; I324-F354 HydrophobicContact CG1-CG 4.46Å; I324-F354 HydrophobicContact CG2-CB 4.06Å; Y346-F354 WeakPolarHBondContact CA-O 3.38Å; Y346-F354 WeakPolarHBondContact CB-O 3.44Å; G347-F354 PolarHBondContact N-O 3.36Å; G347-F354 VanDerWaalsContact N-O 3.09Å; G347-F354 PolarHBondContact O-N 3.19Å; N348-F354 VanDerWaalsContact N-CE1 3.28Å; R349-F354 HydrophobicContact CG-CD1 3.97Å; R349-F354 HydrophobicContact CG-CE1 3.65Å; F354-A356 HydrophobicContact CD2-CB 4.4Å; F354-A356 HydrophobicContact CE2-CB 4.07Å; F354-Y372 AromaticContact CD2-CD1 3.43Å; F354-Y372 HydrophobicContact CD2-CD1 3.43Å; F354-Y372 VanDerWaalsContact CD2-CD1 3.43Å; F354-Y372 AromaticContact CD2-CE1 3.98Å; F354-Y372 HydrophobicContact CD2-CE1 3.98Å; F354-Y372 AromaticContact CE2-CD1 3.64Å; F354-Y372 HydrophobicContact CE2-CD1 3.64Å; F354-Y372 AromaticContact CE2-CE1 3.68Å; F354-Y372 HydrophobicContact CE2-CE1 3.68Å; F354-Y372 HydrophobicContact CG-CD1 4.04Å; F354-Y372 HydrophobicContact CZ-CD1 4.4Å; F354-Y372 HydrophobicContact CZ-CE1 4.3Å; F354-L373 CarbonylContact C-O 3.53Å; F354-L373 VanDerWaalsContact CA-O 3.26Å; F354-L373 WeakPolarHBondContact CA-O 3.17Å
355	W	98.9	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.3	156.9	-72	121.1	0	0	0	109.6	E295 L298 A299 L302 L343 Y346 I357 Y372 L373 R375	E295-W355 HydrophobicContact CB-CZ2 4.07Å; E295-W355 HydrophobicContact CG-CZ2 4.23Å; E295-W355 PolarHBondContact OE2-NE1 3.09Å; L298-W355 HydrophobicContact CB-CH2 4.33Å; L298-W355 HydrophobicContact CD2-CH2 4.44Å; L298-W355 HydrophobicContact CD2-CZ2 4.24Å; L298-W355 HydrophobicContact CG-CH2 4.44Å; A299-W355 HydrophobicContact CB-CH2 3.73Å; A299-W355 HydrophobicContact CB-CZ3 4.27Å; L302-W355 HydrophobicContact CD1-CZ3 4.44Å; L343-W355 HydrophobicContact CD1-CB 3.59Å; L343-W355 HydrophobicContact CD1-CD2 3.76Å; L343-W355 HydrophobicContact CD1-CE3 3.65Å; L343-W355 HydrophobicContact CD1-CG 3.76Å; L343-W355 HydrophobicContact CD2-CD2 4.07Å; L343-W355 HydrophobicContact CD2-CE3 3.63Å; L343-W355 HydrophobicContact CD2-CH2 4.27Å; L343-W355 HydrophobicContact CD2-CZ3 3.76Å; L343-W355 HydrophobicContact CG-CD2 4.37Å; L343-W355 HydrophobicContact CG-CE3 3.85Å; L343-W355 HydrophobicContact CG-CZ3 4.35Å; Y346-W355 HydrophobicContact CD1-CE3 4.39Å; Y346-W355 AromaticContact CD1-CZ3 3.72Å; Y346-W355 HydrophobicContact CD1-CZ3 3.72Å; Y346-W355 HydrophobicContact CG-CE3 4.36Å; Y346-W355 AromaticContact CG-CZ3 3.98Å; Y346-W355 HydrophobicContact CG-CZ3 3.98Å; W355-I357 HydrophobicContact CB-CD1 4.33Å; W355-I357 HydrophobicContact CB-CG1 4.26Å; W355-Y372 WeakPolarHBondContact O-CA 3.33Å; W355-L373 PolarHBondContact N-O 2.98Å; W355-L373 PolarHBondContact O-N 3.39Å; W355-L373 VanDerWaalsContact O-N 3.11Å; W355-R375 HydrophobicContact CD2-CB 4.17Å; W355-R375 HydrophobicContact CD2-CG 3.99Å; W355-R375 VanDerWaalsContact CE2-CD 3.42Å; W355-R375 HydrophobicContact CG-CB 4.04Å; W355-R375 HydrophobicContact CG-CG 4.37Å; W355-R375 HydrophobicContact CH2-CG 4.33Å; W355-R375 VanDerWaalsContact CZ2-CD 3.4Å; W355-R375 HydrophobicContact CZ2-CG 3.6Å
356	A	98.9	Very high	97.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.6	168.4	0	0	0	0	0	108.7	V344 G345 F354 Y372	V344-A356 HydrophobicContact CG2-CB 4.11Å; V344-A356 WeakPolarHBondContact CG2-O 3.48Å; V344-A356 PolarHBondContact N-O 3.2Å; G345-A356 PolarHBondContact N-O 3.5Å; G345-A356 PolarHBondContact O-N 3.47Å; F354-A356 HydrophobicContact CD2-CB 4.4Å; F354-A356 HydrophobicContact CE2-CB 4.07Å; A356-Y372 HydrophobicContact CB-CD1 4.21Å; A356-Y372 HydrophobicContact CB-CE1 3.79Å
357	I	98.9	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.7	-172.6	-64.7	168.1	0	0	0	108.4	V341 L342 L343 W355 Y370 Y371 L373 V382	V341-I357 HydrophobicContact CB-CG2 3.47Å; V341-I357 VanDerWaalsContact CB-CG2 3.47Å; V341-I357 HydrophobicContact CG1-CG2 4.11Å; V341-I357 HydrophobicContact CG2-CG2 3.37Å; L342-I357 CarbonylContact O-C 3.54Å; L342-I357 WeakPolarHBondContact O-CA 3.47Å; L343-I357 HydrophobicContact CD1-CD1 4.42Å; L343-I357 HydrophobicContact CD1-CG1 3.69Å; W355-I357 HydrophobicContact CB-CD1 4.33Å; W355-I357 HydrophobicContact CB-CG1 4.26Å; I357-Y370 CarbonylContact O-C 3.49Å; I357-Y370 VanDerWaalsContact O-CA 3.25Å; I357-Y370 WeakPolarHBondContact O-CA 3.24Å; I357-Y370 WeakPolarHBondContact O-CD1 3.46Å; I357-Y371 WeakPolarHBondContact CB-O 3.45Å; I357-Y371 HydrophobicContact CD1-CD1 3.93Å; I357-Y371 PolarHBondContact N-O 3.21Å; I357-Y371 PolarHBondContact O-N 3.36Å; I357-L373 HydrophobicContact CD1-CB 3.83Å; I357-L373 HydrophobicContact CD1-CD2 4.05Å; I357-V382 HydrophobicContact CD1-CG2 4.38Å
358	K	98.9	Very high	97.6	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.078	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.7	170.2	-175.3	-173.2	178.7	-178.9	0	108.4	V191 T192 K193 V194 L342 V344 Y370	V191-K358 HydrophobicContact CG1-CD 3.79Å; T192-K358 WeakPolarHBondContact O-CE 3.2Å; T192-K358 PolarHBondContact O-NZ 3.02Å; T192-K358 PolarHBondContact OG1-NZ 3.49Å; K193-K358 WeakPolarHBondContact O-CE 3.39Å; K193-K358 PolarHBondContact O-NZ 3.32Å; V194-K358 HydrophobicContact CG2-CG 4.09Å; L342-K358 HydrophobicContact CB-CB 4.2Å; L342-K358 HydrophobicContact CD2-CD 4.1Å; L342-K358 PolarHBondContact N-O 2.97Å; L342-K358 PolarHBondContact O-N 3.2Å; V344-K358 HydrophobicContact CG1-CB 3.91Å; K358-Y370 HydrophobicContact CB-CD1 4.04Å; K358-Y370 HydrophobicContact CB-CE1 3.62Å; K358-Y370 HydrophobicContact CG-CE1 3.88Å
359	N	98.8	Very high	97.7	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.027	22%	0.221	C	C	.	.			trans	-97.3	169.4	175.5	-158.7	5.8	0	0	0	111	H339 W361 W365 G369	H339-N359 PolarHBondContact NE2-OD1 3.39Å; N359-W361 WeakPolarHBondContact ND2-CZ3 3.22Å; N359-W365 HydrophobicContact CB-CE3 3.99Å; N359-W365 HydrophobicContact CB-CH2 4.42Å; N359-W365 HydrophobicContact CB-CZ3 3.6Å; N359-W365 VanDerWaalsContact ND2-CE3 3.32Å; N359-W365 VanDerWaalsContact ND2-CH2 3.28Å; N359-W365 WeakPolarHBondContact ND2-CH2 3.38Å; N359-W365 WeakPolarHBondContact ND2-CZ3 3.3Å; N359-G369 VanDerWaalsContact CB-O 3.31Å; N359-G369 WeakPolarHBondContact CB-O 3.47Å; N359-G369 PolarHBondContact N-O 3.45Å
360	S	98.7	Very high	97.8	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.042	21%	0.212	C	C	.	.	S	Bend	trans	-112.9	29.4	-178.9	49.5	0	0	0	0	112.4	K195 D196 Q197	K195-S360 CarbonylContact O-C 3.55Å; D196-S360 CarbonylContact C-O 3.4Å; D196-S360 WeakPolarHBondContact CA-O 3.06Å; Q197-S360 WeakPolarHBondContact CG-O 3.42Å; Q197-S360 PolarHBondContact N-O 2.9Å; Q197-S360 PolarHBondContact OE1-OG 2.81Å
361	W	98.7	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-114.3	31.1	-177	-63	-16.3	0	0	0	112.4	K143 F144 F152 L157 Q197 A314 M317 H339 N359 W365	K143-W361 WeakPolarHBondContact CE-O 3.37Å; K143-W361 PolarHBondContact NZ-O 2.82Å; F144-W361 HydrophobicContact CD2-CE3 4.43Å; F144-W361 HydrophobicContact CE2-CB 4.18Å; F144-W361 AromaticContact CE2-CD2 3.89Å; F144-W361 HydrophobicContact CE2-CD2 3.89Å; F144-W361 AromaticContact CE2-CE3 3.54Å; F144-W361 HydrophobicContact CE2-CE3 3.54Å; F144-W361 HydrophobicContact CE2-CG 4.17Å; F144-W361 HydrophobicContact CE2-CZ3 4.3Å; F144-W361 HydrophobicContact CZ-CB 3.91Å; F144-W361 AromaticContact CZ-CD2 3.98Å; F144-W361 HydrophobicContact CZ-CD2 3.98Å; F144-W361 HydrophobicContact CZ-CE3 4.13Å; F144-W361 AromaticContact CZ-CG 3.88Å; F144-W361 HydrophobicContact CZ-CG 3.88Å; F152-W361 HydrophobicContact CE1-CH2 4.31Å; F152-W361 HydrophobicContact CE2-CH2 4.4Å; F152-W361 HydrophobicContact CE2-CZ3 4.49Å; F152-W361 AromaticContact CZ-CH2 3.52Å; F152-W361 HydrophobicContact CZ-CH2 3.52Å; F152-W361 AromaticContact CZ-CZ2 3.95Å; F152-W361 HydrophobicContact CZ-CZ2 3.95Å; F152-W361 AromaticContact CZ-CZ3 3.86Å; F152-W361 HydrophobicContact CZ-CZ3 3.86Å; L157-W361 HydrophobicContact CD2-CH2 4.2Å; L157-W361 HydrophobicContact CD2-CZ2 3.71Å; Q197-W361 VanDerWaalsContact OE1-CD1 3.31Å; Q197-W361 VanDerWaalsContact OE1-NE1 3.12Å; A314-W361 HydrophobicContact CB-CH2 4.39Å; M317-W361 HydrophobicContact CB-CH2 3.89Å; M317-W361 HydrophobicContact CB-CZ3 3.78Å; M317-W361 HydrophobicContact CE-CH2 4.15Å; M317-W361 HydrophobicContact CE-CZ3 4.15Å; H339-W361 AromaticContact CD2-CZ2 3.78Å; H339-W361 AromaticContact CE1-CE2 3.67Å; H339-W361 AromaticContact CE1-CZ2 3.5Å; H339-W361 VanDerWaalsContact CE1-CZ2 3.5Å; H339-W361 WeakPolarHBondContact CE1-CZ2 3.07Å; H339-W361 AromaticContact CE1-NE1 3.53Å; H339-W361 AromaticContact ND1-CZ2 3.96Å; H339-W361 AromaticContact NE2-CE2 3.65Å; H339-W361 AromaticContact NE2-CZ2 3.37Å; H339-W361 WeakPolarHBondContact NE2-CZ2 3.47Å; H339-W361 AromaticContact NE2-NE1 3.88Å; N359-W361 WeakPolarHBondContact ND2-CZ3 3.22Å; W361-W365 HydrophobicContact CB-CB 4.24Å; W361-W365 HydrophobicContact CB-CD2 4.49Å; W361-W365 HydrophobicContact CB-CG 4.27Å; W361-W365 AromaticContact CE3-CD1 3.96Å; W361-W365 AromaticContact CE3-CD2 3.73Å; W361-W365 HydrophobicContact CE3-CD2 3.73Å; W361-W365 AromaticContact CE3-CE2 3.45Å; W361-W365 VanDerWaalsContact CE3-CE2 3.45Å; W361-W365 HydrophobicContact CE3-CE3 4.34Å; W361-W365 HydrophobicContact CE3-CG 4.06Å; W361-W365 HydrophobicContact CE3-CH2 4.46Å; W361-W365 AromaticContact CE3-CZ2 3.85Å; W361-W365 HydrophobicContact CE3-CZ2 3.85Å; W361-W365 AromaticContact CE3-NE1 3.58Å; W361-W365 HydrophobicContact CZ3-CD2 4.38Å; W361-W365 AromaticContact CZ3-CE2 3.66Å; W361-W365 HydrophobicContact CZ3-CH2 4.39Å; W361-W365 AromaticContact CZ3-CZ2 3.66Å; W361-W365 HydrophobicContact CZ3-CZ2 3.66Å; W361-W365 AromaticContact CZ3-NE1 3.79Å
362	G	98.5	Very high	98.5	Very high	7 Å²	7	26.2 Å²	26.2	7%	0.072	14%	0.137	C	C	.	.			trans	73.2	168.8	180	0	0	0	0	0	114.1	K195 D364 G369	K195-G362 WeakPolarHBondContact O-CA 3.44Å; K195-G362 PolarHBondContact O-N 2.95Å; G362-D364 VanDerWaalsContact C-N 3.3Å; G362-G369 WeakPolarHBondContact O-CA 3.42Å
363	T	98.4	Very high	98.6	Very high	93 Å²	93	24.7 Å²	24.7	57%	0.571	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12	-177.3	54.4	0	0	0	0	113.5	V194 W365 K368	V194-T363 HydrophobicContact CB-CG2 3.84Å; V194-T363 HydrophobicContact CG1-CG2 4.19Å; T363-W365 VanDerWaalsContact C-N 3.28Å; T363-K368 WeakPolarHBondContact O-CA 3.43Å
364	D	97	Very high	98.6	Very high	67 Å²	67	23.7 Å²	23.7	36%	0.358	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.6	179.2	68.6	-42.5	0	0	0	113.4	K143 R321 G362	K143-D364 WeakPolarHBondContact CD-OD2 3.4Å; K143-D364 IonicContact NZ-OD1 2.83Å; K143-D364 PolarHBondContact NZ-OD1 3.03Å; K143-D364 IonicContact NZ-OD2 3.93Å; R321-D364 PolarHBondContact NH1-O 3.18Å; G362-D364 VanDerWaalsContact C-N 3.3Å
365	W	98.5	Very high	98.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-104.2	144.8	173	-179.9	89.7	0	0	0	111.9	F144 M317 Y320 N359 W361 T363 G369 Y371	F144-W365 AromaticContact CD2-CD1 3.81Å; F144-W365 AromaticContact CE2-CD1 3.46Å; F144-W365 VanDerWaalsContact CE2-CD1 3.46Å; F144-W365 HydrophobicContact CE2-CG 4.14Å; F144-W365 AromaticContact CE2-NE1 3.97Å; M317-W365 HydrophobicContact CB-CZ2 3.94Å; M317-W365 HydrophobicContact CE-CH2 3.5Å; M317-W365 HydrophobicContact CE-CZ2 3.94Å; M317-W365 HydrophobicContact CE-CZ3 4.4Å; M317-W365 WeakPolarHBondContact O-CZ2 3.4Å; M317-W365 PolarHBondContact O-NE1 2.94Å; Y320-W365 AromaticContact CD1-CH2 3.85Å; Y320-W365 HydrophobicContact CD1-CH2 3.85Å; Y320-W365 AromaticContact CD1-CZ2 3.96Å; Y320-W365 HydrophobicContact CD1-CZ2 3.96Å; Y320-W365 HydrophobicContact CD1-CZ3 4.43Å; Y320-W365 HydrophobicContact CG-CZ2 4.38Å; N359-W365 HydrophobicContact CB-CE3 3.99Å; N359-W365 HydrophobicContact CB-CH2 4.42Å; N359-W365 HydrophobicContact CB-CZ3 3.6Å; N359-W365 VanDerWaalsContact ND2-CE3 3.32Å; N359-W365 VanDerWaalsContact ND2-CH2 3.28Å; N359-W365 WeakPolarHBondContact ND2-CH2 3.38Å; N359-W365 WeakPolarHBondContact ND2-CZ3 3.3Å; W361-W365 HydrophobicContact CB-CB 4.24Å; W361-W365 HydrophobicContact CB-CD2 4.49Å; W361-W365 HydrophobicContact CB-CG 4.27Å; W361-W365 AromaticContact CE3-CD1 3.96Å; W361-W365 AromaticContact CE3-CD2 3.73Å; W361-W365 HydrophobicContact CE3-CD2 3.73Å; W361-W365 AromaticContact CE3-CE2 3.45Å; W361-W365 VanDerWaalsContact CE3-CE2 3.45Å; W361-W365 HydrophobicContact CE3-CE3 4.34Å; W361-W365 HydrophobicContact CE3-CG 4.06Å; W361-W365 HydrophobicContact CE3-CH2 4.46Å; W361-W365 AromaticContact CE3-CZ2 3.85Å; W361-W365 HydrophobicContact CE3-CZ2 3.85Å; W361-W365 AromaticContact CE3-NE1 3.58Å; W361-W365 HydrophobicContact CZ3-CD2 4.38Å; W361-W365 AromaticContact CZ3-CE2 3.66Å; W361-W365 HydrophobicContact CZ3-CH2 4.39Å; W361-W365 AromaticContact CZ3-CZ2 3.66Å; W361-W365 HydrophobicContact CZ3-CZ2 3.66Å; W361-W365 AromaticContact CZ3-NE1 3.79Å; T363-W365 VanDerWaalsContact C-N 3.28Å; W365-G369 WeakPolarHBondContact O-CA 3.39Å; W365-G369 PolarHBondContact O-N 3.06Å; W365-Y371 HydrophobicContact CH2-CD2 4.24Å; W365-Y371 HydrophobicContact CH2-CG 4.25Å
366	G	98.5	Very high	98.4	Very high	11 Å²	11	28 Å²	28	11%	0.113	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-151.4	177.3	0	0	0	0	0	114.4	R321 K368	R321-G366 CarbonylContact O-C 3.19Å; R321-G366 VanDerWaalsContact O-CA 3.3Å; R321-G366 WeakPolarHBondContact O-CA 3.47Å; G366-K368 VanDerWaalsContact C-N 3.34Å; G366-K368 PolarHBondContact O-N 3.27Å
367	E	98.5	Very high	98.2	Very high	41 Å²	41	30.8 Å²	30.8	19%	0.192	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-83	79.3	175.9	-71.3	-171.3	-145.7	0	0	109.8	Y320 R321 H322 G323 R349 G369 Y370 Y372	Y320-E367 PolarHBondContact OH-OE1 2.92Å; R321-E367 PolarHBondContact O-N 3.24Å; H322-E367 HydrophobicContact CB-CG 3.38Å; G323-E367 PolarHBondContact N-OE1 3.38Å; R349-E367 IonicContact CZ-OE1 2.84Å; R349-E367 IonicContact CZ-OE2 3.94Å; R349-E367 IonicContact NH1-OE1 3.9Å; R349-E367 PolarHBondContact NH1-OE1 3.32Å; R349-E367 IonicContact NH1-OE2 2.76Å; R349-E367 PolarHBondContact NH1-OE2 3.31Å; R349-E367 VanDerWaalsContact NH1-OE2 3.1Å; R349-E367 IonicContact NH2-OE1 3.8Å; R349-E367 IonicContact NH2-OE2 3.3Å; R349-E367 PolarHBondContact NH2-OE2 3.46Å; E367-G369 VanDerWaalsContact C-N 3.28Å; E367-G369 PolarHBondContact O-N 2.97Å; E367-Y370 PolarHBondContact N-O 2.82Å; E367-Y370 WeakPolarHBondContact O-CB 3.36Å; E367-Y370 WeakPolarHBondContact O-CD2 3.32Å; E367-Y370 PolarHBondContact O-N 3.14Å; E367-Y370 VanDerWaalsContact O-N 3.13Å; E367-Y372 HydrophobicContact CB-CD2 4.24Å; E367-Y372 HydrophobicContact CB-CE2 3.73Å; E367-Y372 HydrophobicContact CG-CD2 4.12Å; E367-Y372 HydrophobicContact CG-CE2 3.99Å; E367-Y372 WeakPolarHBondContact OE1-CD2 3.4Å; E367-Y372 WeakPolarHBondContact OE2-CE2 3.33Å
368	K	98.4	Very high	98.1	Very high	172 Å²	172	31.4 Å²	31.4	75%	0.748	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	40.4	-176.7	-56	-179.6	179.8	179	0	112.6	T363 G366 Y370	T363-K368 WeakPolarHBondContact O-CA 3.43Å; G366-K368 VanDerWaalsContact C-N 3.34Å; G366-K368 PolarHBondContact O-N 3.27Å; K368-Y370 WeakPolarHBondContact O-CD2 3.34Å
369	G	98.7	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	1.8	-177.4	0	0	0	0	0	115.3	N359 G362 W365 E367	N359-G369 VanDerWaalsContact CB-O 3.31Å; N359-G369 WeakPolarHBondContact CB-O 3.47Å; N359-G369 PolarHBondContact N-O 3.45Å; G362-G369 WeakPolarHBondContact O-CA 3.42Å; W365-G369 WeakPolarHBondContact O-CA 3.39Å; W365-G369 PolarHBondContact O-N 3.06Å; E367-G369 VanDerWaalsContact C-N 3.28Å; E367-G369 PolarHBondContact O-N 2.97Å
370	Y	98.9	Very high	97.9	Very high	30 Å²	30	30.9 Å²	30.9	12%	0.118	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147.3	178.3	-64	-89.6	0	0	0	112.3	R186 V194 Y320 V344 I357 K358 E367 K368	R186-Y370 VanDerWaalsContact CD-CZ 3.41Å; R186-Y370 WeakPolarHBondContact CD-OH 3.46Å; R186-Y370 HydrophobicContact CG-CE1 4.22Å; V194-Y370 HydrophobicContact CG2-CD2 4.3Å; V194-Y370 HydrophobicContact CG2-CE2 3.71Å; Y320-Y370 WeakPolarHBondContact CE1-O 3.45Å; V344-Y370 HydrophobicContact CG2-CD1 4.26Å; V344-Y370 HydrophobicContact CG2-CE1 4.02Å; I357-Y370 CarbonylContact O-C 3.49Å; I357-Y370 VanDerWaalsContact O-CA 3.25Å; I357-Y370 WeakPolarHBondContact O-CA 3.24Å; I357-Y370 WeakPolarHBondContact O-CD1 3.46Å; K358-Y370 HydrophobicContact CB-CD1 4.04Å; K358-Y370 HydrophobicContact CB-CE1 3.62Å; K358-Y370 HydrophobicContact CG-CE1 3.88Å; E367-Y370 PolarHBondContact N-O 2.82Å; E367-Y370 WeakPolarHBondContact O-CB 3.36Å; E367-Y370 WeakPolarHBondContact O-CD2 3.32Å; E367-Y370 PolarHBondContact O-N 3.14Å; E367-Y370 VanDerWaalsContact O-N 3.13Å; K368-Y370 WeakPolarHBondContact O-CD2 3.34Å
371	Y	98.8	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.4	172.8	-177.7	-131.3	0	0	0	109.6	I312 M317 Y320 S325 I357 W365 L373	I312-Y371 HydrophobicContact CD1-CD1 4.3Å; I312-Y371 HydrophobicContact CD1-CE1 4.27Å; M317-Y371 HydrophobicContact CE-CD1 4Å; M317-Y371 HydrophobicContact CE-CE1 4.49Å; M317-Y371 HydrophobicContact CE-CG 4.11Å; M317-Y371 HydrophobicContact CG-CE1 4.14Å; M317-Y371 HydrophobicContact CG-CE2 4.29Å; M317-Y371 HydrophobicContact SD-CD1 4.21Å; M317-Y371 HydrophobicContact SD-CE1 4.12Å; Y320-Y371 AromaticContact CD1-CD2 3.67Å; Y320-Y371 HydrophobicContact CD1-CD2 3.67Å; Y320-Y371 HydrophobicContact CD1-CE2 4.3Å; Y320-Y371 AromaticContact CD2-CD2 3.75Å; Y320-Y371 HydrophobicContact CD2-CD2 3.75Å; Y320-Y371 AromaticContact CD2-CE2 3.58Å; Y320-Y371 HydrophobicContact CD2-CE2 3.58Å; Y320-Y371 AromaticContact CE1-CD2 3.69Å; Y320-Y371 HydrophobicContact CE1-CD2 3.69Å; Y320-Y371 AromaticContact CE2-CD2 3.75Å; Y320-Y371 HydrophobicContact CE2-CD2 3.75Å; Y320-Y371 AromaticContact CE2-CE2 3.8Å; Y320-Y371 HydrophobicContact CE2-CE2 3.8Å; Y320-Y371 AromaticContact CG-CD2 3.68Å; Y320-Y371 HydrophobicContact CG-CD2 3.68Å; Y320-Y371 AromaticContact CG-CE2 3.82Å; Y320-Y371 HydrophobicContact CG-CE2 3.82Å; Y320-Y371 AromaticContact CZ-CD2 3.7Å; S325-Y371 WeakPolarHBondContact CB-OH 3.2Å; S325-Y371 PolarHBondContact OG-OH 3.47Å; I357-Y371 WeakPolarHBondContact CB-O 3.45Å; I357-Y371 HydrophobicContact CD1-CD1 3.93Å; I357-Y371 PolarHBondContact N-O 3.21Å; I357-Y371 PolarHBondContact O-N 3.36Å; W365-Y371 HydrophobicContact CH2-CD2 4.24Å; W365-Y371 HydrophobicContact CH2-CG 4.25Å; Y371-L373 HydrophobicContact CD1-CB 4.22Å; Y371-L373 HydrophobicContact CE1-CB 3.85Å; Y371-L373 HydrophobicContact CE1-CD1 3.96Å; Y371-L373 HydrophobicContact CE1-CD2 4.38Å; Y371-L373 HydrophobicContact CE1-CG 4.29Å
372	Y	98.7	Very high	97.7	Very high	12 Å²	12	30.6 Å²	30.6	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.5	175.5	-65	-91.3	0	0	0	109.4	R186 Y320 S325 R349 F354 W355 A356 E367	R186-Y372 PolarHBondContact NH1-OH 3.12Å; R186-Y372 PolarHBondContact NH2-OH 2.83Å; R186-Y372 VanDerWaalsContact NH2-OH 3.15Å; Y320-Y372 PolarHBondContact OH-N 2.78Å; S325-Y372 WeakPolarHBondContact CB-O 3.45Å; S325-Y372 PolarHBondContact N-O 2.89Å; R349-Y372 PolarHBondContact NH2-OH 3.49Å; F354-Y372 AromaticContact CD2-CD1 3.43Å; F354-Y372 HydrophobicContact CD2-CD1 3.43Å; F354-Y372 VanDerWaalsContact CD2-CD1 3.43Å; F354-Y372 AromaticContact CD2-CE1 3.98Å; F354-Y372 HydrophobicContact CD2-CE1 3.98Å; F354-Y372 AromaticContact CE2-CD1 3.64Å; F354-Y372 HydrophobicContact CE2-CD1 3.64Å; F354-Y372 AromaticContact CE2-CE1 3.68Å; F354-Y372 HydrophobicContact CE2-CE1 3.68Å; F354-Y372 HydrophobicContact CG-CD1 4.04Å; F354-Y372 HydrophobicContact CZ-CD1 4.4Å; F354-Y372 HydrophobicContact CZ-CE1 4.3Å; W355-Y372 WeakPolarHBondContact O-CA 3.33Å; A356-Y372 HydrophobicContact CB-CD1 4.21Å; A356-Y372 HydrophobicContact CB-CE1 3.79Å; E367-Y372 HydrophobicContact CB-CD2 4.24Å; E367-Y372 HydrophobicContact CB-CE2 3.73Å; E367-Y372 HydrophobicContact CG-CD2 4.12Å; E367-Y372 HydrophobicContact CG-CE2 3.99Å; E367-Y372 WeakPolarHBondContact OE1-CD2 3.4Å; E367-Y372 WeakPolarHBondContact OE2-CE2 3.33Å
373	L	98.5	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.3	-174.5	-178.9	65.7	0	0	0	109.7	I312 F354 W355 I357 Y371 R375 A379 C380 V382	I312-L373 HydrophobicContact CG2-CD2 4.48Å; F354-L373 CarbonylContact C-O 3.53Å; F354-L373 VanDerWaalsContact CA-O 3.26Å; F354-L373 WeakPolarHBondContact CA-O 3.17Å; W355-L373 PolarHBondContact N-O 2.98Å; W355-L373 PolarHBondContact O-N 3.39Å; W355-L373 VanDerWaalsContact O-N 3.11Å; I357-L373 HydrophobicContact CD1-CB 3.83Å; I357-L373 HydrophobicContact CD1-CD2 4.05Å; Y371-L373 HydrophobicContact CD1-CB 4.22Å; Y371-L373 HydrophobicContact CE1-CB 3.85Å; Y371-L373 HydrophobicContact CE1-CD1 3.96Å; Y371-L373 HydrophobicContact CE1-CD2 4.38Å; Y371-L373 HydrophobicContact CE1-CG 4.29Å; L373-R375 PolarHBondContact O-N 3.07Å; L373-A379 HydrophobicContact CD1-CB 3.81Å; L373-A379 HydrophobicContact CD2-CB 4.24Å; L373-A379 HydrophobicContact CG-CB 3.95Å; L373-C380 HydrophobicContact CD2-CB 4.24Å; L373-V382 HydrophobicContact CD2-CB 3.94Å; L373-V382 HydrophobicContact CD2-CG1 4.3Å; L373-V382 HydrophobicContact CD2-CG2 4.27Å
374	H	98.1	Very high	97.5	Very high	13 Å²	13	28.9 Å²	28.9	6%	0.06	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	128.3	177.7	176.3	-82	0	0	0	112	I324 S325 R326 P353 S377	I324-H374 HydrophobicContact CG2-CB 4.29Å; S325-H374 WeakPolarHBondContact O-CB 3.26Å; S325-H374 PolarHBondContact O-N 2.88Å; R326-H374 HydrophobicContact CB-CB 3.85Å; R326-H374 HydrophobicContact CG-CB 3.69Å; R326-H374 PolarHBondContact NE-CD2 2.74Å; R326-H374 PolarHBondContact NE-NE2 3.46Å; P353-H374 WeakPolarHBondContact O-CA 3.45Å; H374-S377 PolarHBondContact ND1-OG 3.44Å
375	R	97.9	Very high	97.4	Very high	53 Å²	53	28 Å²	28	20%	0.2	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	139.3	178.6	175.4	170.7	69.4	85	0.9	111.5	P353 W355 L373	P353-R375 HydrophobicContact CB-CB 4.37Å; P353-R375 WeakPolarHBondContact CG-O 3.28Å; P353-R375 PolarHBondContact O-N 3.45Å; W355-R375 HydrophobicContact CD2-CB 4.17Å; W355-R375 HydrophobicContact CD2-CG 3.99Å; W355-R375 VanDerWaalsContact CE2-CD 3.42Å; W355-R375 HydrophobicContact CG-CB 4.04Å; W355-R375 HydrophobicContact CG-CG 4.37Å; W355-R375 HydrophobicContact CH2-CG 4.33Å; W355-R375 VanDerWaalsContact CZ2-CD 3.4Å; W355-R375 HydrophobicContact CZ2-CG 3.6Å; L373-R375 PolarHBondContact O-N 3.07Å
376	G	96.1	Very high	97.4	Very high	58 Å²	58	28 Å²	28	60%	0.598	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	103.3	8	173.7	0	0	0	0	0	115.3	E295	E295-G376 VanDerWaalsContact CD-N 3.28Å; E295-G376 VanDerWaalsContact OE1-CA 3.26Å; E295-G376 WeakPolarHBondContact OE1-CA 3.4Å; E295-G376 PolarHBondContact OE1-N 3.06Å; E295-G376 PolarHBondContact OE2-N 2.93Å
377	S	94.9	Very high	97.4	Very high	61 Å²	61	27.6 Å²	27.6	43%	0.427	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	6.3	-179.7	64.3	0	0	0	0	114.7	E295 H374 A379	E295-S377 PolarHBondContact OE1-N 3Å; H374-S377 PolarHBondContact ND1-OG 3.44Å; S377-A379 PolarHBondContact O-N 3.45Å
378	G	96.2	Very high	97.4	Very high	12 Å²	12	25.6 Å²	25.6	12%	0.124	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	34	-169.7	0	0	0	0	0	112.1	E295 C380 G381 N383	E295-G378 WeakPolarHBondContact OE1-CA 3.42Å; E295-G378 PolarHBondContact OE1-N 3.01Å; G378-C380 PolarHBondContact O-N 3.46Å; G378-G381 PolarHBondContact O-N 3.29Å; G378-G381 VanDerWaalsContact O-N 3.1Å; G378-N383 WeakPolarHBondContact CA-OD1 3.41Å
379	A	96.4	Very high	97.4	Very high	10 Å²	10	17.5 Å²	17.5	8%	0.083	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-55.9	132.7	-174	0	0	0	0	0	109.9	L373 S377 G381 V382	L373-A379 HydrophobicContact CD1-CB 3.81Å; L373-A379 HydrophobicContact CD2-CB 4.24Å; L373-A379 HydrophobicContact CG-CB 3.95Å; S377-A379 PolarHBondContact O-N 3.45Å; A379-G381 PolarHBondContact O-N 3.1Å; A379-V382 PolarHBondContact O-N 3.36Å; A379-V382 VanDerWaalsContact O-N 3.11Å
380	C	96.8	Very high	97.3	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.014	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	55.7	15	-180	-58.9	0	0	0	0	115.8	I312 N313 P327 C332 L373 G378 V382	I312-C380 WeakPolarHBondContact CA-O 3.43Å; I312-C380 HydrophobicContact CB-CB 4.24Å; N313-C380 HydrophobicContact CB-CB 4.35Å; N313-C380 PolarHBondContact N-O 3.16Å; P327-C380 VanDerWaalsContact CG-SG 3.54Å; C332-C380 HydrophobicContact CB-CB 4.07Å; C332-C380 WeakPolarHBondContact CB-SG 3.33Å; C332-C380 WeakPolarHBondContact O-CA 3.41Å; C332-C380 WeakPolarHBondContact SG-CA 3.3Å; C332-C380 WeakPolarHBondContact SG-CB 3.25Å; C332-C380 CovalentContact SG-SG 2.02Å; C332-C380 PolarHBondContact SG-SG 2.89Å; L373-C380 HydrophobicContact CD2-CB 4.24Å; G378-C380 PolarHBondContact O-N 3.46Å; C380-V382 VanDerWaalsContact C-N 3.34Å
381	G	96.6	Very high	97.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	73	19.2	-176	0	0	0	0	0	115.1	G378 A379 N383 T384	G378-G381 PolarHBondContact O-N 3.29Å; G378-G381 VanDerWaalsContact O-N 3.1Å; A379-G381 PolarHBondContact O-N 3.1Å; G381-N383 PolarHBondContact O-N 3.37Å; G381-T384 PolarHBondContact O-N 3.44Å; G381-T384 PolarHBondContact O-OG1 3.13Å
382	V	97.7	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-24.7	-177.4	69.5	0	0	0	0	115.1	V310 I312 L343 I357 L373 A379 C380	V310-V382 HydrophobicContact CG2-CG2 4.03Å; I312-V382 HydrophobicContact CG2-CB 3.76Å; I312-V382 HydrophobicContact CG2-CG2 3.88Å; L343-V382 HydrophobicContact CD1-CG2 4.44Å; I357-V382 HydrophobicContact CD1-CG2 4.38Å; L373-V382 HydrophobicContact CD2-CB 3.94Å; L373-V382 HydrophobicContact CD2-CG1 4.3Å; L373-V382 HydrophobicContact CD2-CG2 4.27Å; A379-V382 PolarHBondContact O-N 3.36Å; A379-V382 VanDerWaalsContact O-N 3.11Å; C380-V382 VanDerWaalsContact C-N 3.34Å
383	N	96.7	Very high	96.5	Very high	25 Å²	25	25.7 Å²	25.7	13%	0.134	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-0	-179.5	62.6	-41.1	0	0	0	114.1	Q293 E295 L298 G378 G381	Q293-N383 VanDerWaalsContact CA-O 3.31Å; Q293-N383 WeakPolarHBondContact CA-O 3.1Å; Q293-N383 WeakPolarHBondContact CB-O 3.18Å; Q293-N383 WeakPolarHBondContact CG-O 3.26Å; Q293-N383 PolarHBondContact O-ND2 2.97Å; E295-N383 HydrophobicContact CG-CB 3.93Å; L298-N383 HydrophobicContact CD2-CB 4.46Å; G378-N383 WeakPolarHBondContact CA-OD1 3.41Å; G381-N383 PolarHBondContact O-N 3.37Å
384	T	94.9	Very high	96.4	Very high	39 Å²	39	27.1 Å²	27.1	24%	0.239	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-27.6	-172.3	62.3	0	0	0	0	113.6	Q293 P334 G381	Q293-T384 PolarHBondContact NE2-O 3.44Å; P334-T384 HydrophobicContact CB-CG2 4.29Å; G381-T384 PolarHBondContact O-N 3.44Å; G381-T384 PolarHBondContact O-OG1 3.13Å
385	M	95.7	Very high	96.3	Very high	49 Å²	49	27.8 Å²	27.8	24%	0.241	17%	0.174	C	C	.	.	S	Bend	trans	-134.5	63.1	-179.4	-170	-178.2	-72.6	0	0	109.5	L161 V310 A311 I337	L161-M385 HydrophobicContact CD2-SD 3.75Å; L161-M385 WeakPolarHBondContact O-CE 3.38Å; V310-M385 WeakPolarHBondContact CA-O 3.21Å; A311-M385 HydrophobicContact CB-CB 3.94Å; A311-M385 HydrophobicContact CB-CG 4.3Å; A311-M385 HydrophobicContact CB-SD 3.81Å; A311-M385 PolarHBondContact N-O 3.22Å; I337-M385 HydrophobicContact CD1-CB 4.34Å; I337-M385 HydrophobicContact CD1-CE 3.45Å; I337-M385 VanDerWaalsContact CD1-CE 3.45Å; I337-M385 HydrophobicContact CD1-SD 4.19Å
386	A	97.8	Very high	96.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.2	178.4	0	0	0	0	0	110.3	L291 L298 I308 S309 V310	L291-A386 HydrophobicContact CB-CB 3.98Å; L291-A386 HydrophobicContact CD1-CB 4.46Å; L291-A386 PolarHBondContact N-O 3.42Å; L298-A386 HydrophobicContact CD1-CB 3.6Å; L298-A386 HydrophobicContact CD2-CB 4.45Å; I308-A386 HydrophobicContact CG2-CB 4.1Å; S309-A386 WeakPolarHBondContact O-CA 3.48Å; V310-A386 HydrophobicContact CG1-CB 4.02Å
387	S	98.6	Very high	96.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158.2	-174.4	59.9	0	0	0	0	112.4	Y250 V289 I308 S309	Y250-S387 WeakPolarHBondContact CE2-OG 3.31Å; V289-S387 VanDerWaalsContact O-CA 3.24Å; V289-S387 WeakPolarHBondContact O-CA 3.21Å; V289-S387 WeakPolarHBondContact O-CB 3Å; I308-S387 WeakPolarHBondContact CG2-O 3.28Å; S309-S387 PolarHBondContact N-O 3.15Å; S309-S387 PolarHBondContact O-N 3.25Å; S309-S387 PolarHBondContact O-OG 3.17Å
388	S	98.7	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	144.6	176	-171	0	0	0	0	111	N211 Q215 S288 V289	N211-S388 PolarHBondContact ND2-OG 3.06Å; Q215-S388 PolarHBondContact NE2-OG 3.2Å; S288-S388 CarbonylContact C-O 3.48Å; S288-S388 WeakPolarHBondContact CA-O 3.05Å; V289-S388 PolarHBondContact N-O 3.2Å; V289-S388 PolarHBondContact O-N 3.47Å
389	A	98.6	Very high	96.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	155.4	160.8	0	0	0	0	0	110.8	N211 V212 Q215 Y250 I285	N211-A389 WeakPolarHBondContact OD1-CB 3.28Å; N211-A389 PolarHBondContact OD1-N 3.14Å; V212-A389 HydrophobicContact CG2-CB 3.94Å; Q215-A389 HydrophobicContact CG-CB 4.14Å; Y250-A389 HydrophobicContact CD1-CB 4.02Å; Y250-A389 HydrophobicContact CE1-CB 3.75Å; I285-A389 HydrophobicContact CB-CB 4.26Å; I285-A389 HydrophobicContact CD1-CB 4.33Å; I285-A389 HydrophobicContact CG2-CB 3.78Å
390	V	97.7	Very high	96.3	Very high	40 Å²	40	23.6 Å²	23.6	24%	0.242	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.6	169.2	-179.9	0	0	0	0	107	N286 D287 V289	N286-V390 PolarHBondContact N-O 2.02Å; D287-V390 HydrophobicContact CB-CB 4.31Å; D287-V390 PolarHBondContact N-O 3.07Å; D287-V390 PolarHBondContact O-N 3.04Å; V289-V390 HydrophobicContact CG1-CG2 3.84Å; V289-V390 HydrophobicContact CG2-CG2 4.16Å
391	V	95.8	Very high	96.2	Very high	17 Å²	17	25.4 Å²	25.4	10%	0.103	14%	0.141	C	C	.	.			trans	-122.3	123.5	174.4	-173.1	0	0	0	0	106.3	Q215 W216 N219 I285	Q215-V391 HydrophobicContact CB-CG2 3.82Å; W216-V391 HydrophobicContact CE3-CG1 3.77Å; W216-V391 HydrophobicContact CZ3-CG1 3.96Å; N219-V391 HydrophobicContact CB-CB 4.36Å; N219-V391 HydrophobicContact CB-CG1 4.09Å; I285-V391 HydrophobicContact CG2-CG2 4.29Å
392	D	86.2	Confident	96.2	Very high	132 Å²	132	27.7 Å²	27.7	71%	0.706	15%	0.154	S	C	*	.			trans	-100	0	176.9	-58.1	-42.7	0	0	0	111.7	N219 Y284 N286	N219-D392 PolarHBondContact ND2-O 2.93Å; N219-D392 PolarHBondContact ND2-OXT 3.44Å; N219-D392 VanDerWaalsContact ND2-OXT 3.12Å; Y284-D392 PolarHBondContact OH-O 3.39Å; N286-D392 WeakPolarHBondContact ND2-CB 3.49Å; N286-D392 PolarHBondContact ND2-OD2 2.98Å; N286-D392 PolarHBondContact OD1-N 3.13Å

Retrieved 392 of 392 residues in 294.4 ms (Link to these results)

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