A0A087YL28_POEFO Loading...

Alanine--glyoxylate aminotransferase

AlphaFold DB , UniProt , Accession A0A087YL28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 406 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	47.3	Very low	248 Å²	248	143.2 Å²	143.2	100%	1.222	82%	0.821	S	S	*	*				0	128.6	0	-87.9	174.2	166.5	0	0	108.5
2	S	41.4	Very low	47.8	Very low	106 Å²	106	142.2 Å²	142.2	74%	0.741	83%	0.826	S	S	*	*			trans	70.5	85.5	170.2	-159.5	0	0	0	0	119.1	S4	S2-S4 PolarHBondContact OG-OG 2.83Å
3	L	40.3	Very low	48.6	Very low	181 Å²	181	139.3 Å²	139.3	95%	0.948	82%	0.817	S	S	*	*			trans	-102	104.7	146.1	-89	155.7	0	0	0	105.9	S5	L3-S5 PolarHBondContact O-N 3.28Å
4	S	44	Very low	49.6	Very low	94 Å²	94	141.8 Å²	141.8	66%	0.657	82%	0.817	S	S	*	*			trans	-87	101	175.3	-65	0	0	0	0	109.4	S2 F6	S2-S4 PolarHBondContact OG-OG 2.83Å; S4-F6 PolarHBondContact O-N 3.45Å
5	S	45.3	Very low	50.6	Low	104 Å²	104	140.7 Å²	140.7	73%	0.727	81%	0.813	S	S	*	*			trans	-74.1	105.5	165.3	47.2	0	0	0	0	109.4	L3 L7	L3-S5 PolarHBondContact O-N 3.28Å; S5-L7 PolarHBondContact O-N 2.8Å; S5-L7 VanDerWaalsContact O-N 3.08Å
6	F	47.5	Very low	52	Low	198 Å²	198	142.8 Å²	142.8	87%	0.868	82%	0.816	S	S	*	*			trans	-73.5	98.1	162.9	-94	-88.3	0	0	0	108.3	S4 L8	S4-F6 PolarHBondContact O-N 3.45Å; F6-L8 PolarHBondContact O-N 3.13Å
7	L	48.8	Very low	53.4	Low	159 Å²	159	143.2 Å²	143.2	83%	0.832	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-61.5	119	167	-80.7	154.2	0	0	0	108.8	S5 S9	S5-L7 PolarHBondContact O-N 2.8Å; S5-L7 VanDerWaalsContact O-N 3.08Å; L7-S9 PolarHBondContact O-N 3.25Å
8	L	50.1	Low	55.1	Low	171 Å²	171	141.7 Å²	141.7	90%	0.895	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-53.3	120.5	166.7	-76.7	145.2	0	0	0	109.3	F6	F6-L8 PolarHBondContact O-N 3.13Å
9	S	52.2	Low	56.8	Low	110 Å²	110	141.3 Å²	141.3	77%	0.769	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-61.9	134.6	170.8	-178.1	0	0	0	0	110	L7 S11	L7-S9 PolarHBondContact O-N 3.25Å; S9-S11 PolarHBondContact O-N 3.37Å
10	P	50.8	Low	58.6	Low	111 Å²	111	140 Å²	140	72%	0.721	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72	130.2	-177.6	28.4	-31.2	0	0	0	111.2
11	S	56.2	Low	60.3	Low	93 Å²	93	140.4 Å²	140.4	65%	0.65	81%	0.807	S	S	*	*			trans	10.7	107.3	155.8	60.7	0	0	0	0	116.7	S9 C13	S9-S11 PolarHBondContact O-N 3.37Å; S11-C13 PolarHBondContact O-N 3.4Å
12	C	53.1	Low	62.7	Low	131 Å²	131	133.2 Å²	133.2	89%	0.885	78%	0.779	S	S	*	*			trans	-61.7	85.1	149.9	-78.8	0	0	0	0	108.2	E14	C12-E14 VanDerWaalsContact C-N 3.26Å; C12-E14 PolarHBondContact O-N 2.96Å
13	C	58.8	Low	65.3	Low	105 Å²	105	132.8 Å²	132.8	71%	0.709	77%	0.773	S	S	*	*			trans	-66.3	95.2	158.2	-82.7	0	0	0	0	106.3	S11 V15	S11-C13 PolarHBondContact O-N 3.4Å; C13-V15 PolarHBondContact O-N 3.26Å
14	E	62.1	Low	68	Low	174 Å²	174	127.7 Å²	127.7	81%	0.813	75%	0.751	S	S	*	*			trans	-57.5	106	170.8	-75.3	-177.2	159.8	0	0	108.7	C12 M16	C12-E14 VanDerWaalsContact C-N 3.26Å; C12-E14 PolarHBondContact O-N 2.96Å; E14-M16 VanDerWaalsContact C-N 3.34Å; E14-M16 PolarHBondContact O-N 2.85Å
15	V	65.1	Low	70.6	Confident	125 Å²	125	129.3 Å²	129.3	76%	0.758	75%	0.748	S	S	*	*			trans	-68.1	97.2	169.1	-179.1	0	0	0	0	106.2	C13 L17	C13-V15 PolarHBondContact O-N 3.26Å; V15-L17 PolarHBondContact O-N 3.02Å
16	M	72.8	Confident	73	Confident	174 Å²	174	128.7 Å²	128.7	86%	0.857	74%	0.743	S	S	*	*			trans	-59.2	110.8	170.9	-70.1	-171.5	-146.2	0	0	108.1	E14	E14-M16 VanDerWaalsContact C-N 3.34Å; E14-M16 PolarHBondContact O-N 2.85Å
17	L	76.2	Confident	75.4	Confident	150 Å²	150	126 Å²	126	79%	0.785	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-61.9	136.7	175.6	-71	167.7	0	0	0	109.2	V15 V19	V15-L17 PolarHBondContact O-N 3.02Å; L17-V19 PolarHBondContact O-N 2.68Å
18	P	82.9	Confident	77.6	Confident	117 Å²	117	124.9 Å²	124.9	76%	0.76	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-63.6	137	179.4	25.8	-32.8	0	0	0	110.4	S20	P18-S20 PolarHBondContact O-N 2.8Å
19	V	88.4	Confident	79.9	Confident	134 Å²	134	124.8 Å²	124.8	81%	0.812	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-63	130	173.3	-70.5	0	0	0	0	110	L17	L17-V19 PolarHBondContact O-N 2.68Å
20	S	92.9	Very high	82	Confident	114 Å²	114	130.8 Å²	130.8	80%	0.797	72%	0.724	S	S	*	*	S	Bend	trans	-79.7	-17.9	-176.8	56.4	0	0	0	0	113.9	P18	P18-S20 PolarHBondContact O-N 2.8Å
21	M	94.8	Very high	84.2	Confident	149 Å²	149	133.6 Å²	133.6	73%	0.734	73%	0.729	S	S	*	*	S	Bend	trans	-99.8	115.5	-177.8	-66	-58.1	-63.1	0	0	110.3
22	P	93.8	Very high	86.1	Confident	98 Å²	98	135.3 Å²	135.3	64%	0.636	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-70.7	153.7	178.2	29.4	-34.6	0	0	0	111.4
23	P	95.9	Very high	88.1	Confident	96 Å²	96	134.3 Å²	134.3	62%	0.623	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-55.7	127	174	-26.5	34.9	0	0	0	112	Q25	P23-Q25 PolarHBondContact O-N 2.76Å
24	P	97	Very high	89.9	Confident	74 Å²	74	133.3 Å²	133.3	48%	0.481	72%	0.717	S	S	.	*	P	Polyproline II helix	trans	-61.3	122.9	-178.6	-23.8	33.2	0	0	0	112.3	C26 L27	P24-C26 PolarHBondContact O-N 3.3Å; P24-L27 HydrophobicContact CB-CD1 4.21Å; P24-L27 HydrophobicContact CB-CG 4.27Å; P24-L27 HydrophobicContact CG-CD1 4.19Å; P24-L27 PolarHBondContact O-N 3.42Å
25	Q	97.1	Very high	91.5	Very high	128 Å²	128	131.4 Å²	131.4	60%	0.598	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-65	-26.3	-177.3	-61.7	-65.2	-21.9	0	0	113	P23 L27 K28	P23-Q25 PolarHBondContact O-N 2.76Å; Q25-L27 VanDerWaalsContact C-N 3.28Å; Q25-L27 PolarHBondContact O-N 3.23Å; Q25-K28 PolarHBondContact O-N 2.65Å; Q25-K28 VanDerWaalsContact OE1-CD 3.32Å
26	C	96.3	Very high	93	Very high	92 Å²	92	129.2 Å²	129.2	62%	0.622	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-62.4	-33.3	177.3	57.4	0	0	0	0	112.8	P24 K28 K29	P24-C26 PolarHBondContact O-N 3.3Å; C26-K28 PolarHBondContact O-N 3.42Å; C26-K29 PolarHBondContact O-N 3.34Å
27	L	97.5	Very high	94.2	Very high	140 Å²	140	125.1 Å²	125.1	73%	0.733	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-78	-7.2	-178.8	-63.2	178.7	0	0	0	113.6	P24 Q25 K29	P24-L27 HydrophobicContact CB-CD1 4.21Å; P24-L27 HydrophobicContact CB-CG 4.27Å; P24-L27 HydrophobicContact CG-CD1 4.19Å; P24-L27 PolarHBondContact O-N 3.42Å; Q25-L27 VanDerWaalsContact C-N 3.28Å; Q25-L27 PolarHBondContact O-N 3.23Å; L27-K29 VanDerWaalsContact C-N 3.31Å
28	K	96.5	Very high	95.3	Very high	136 Å²	136	119.7 Å²	119.7	59%	0.591	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-80.6	-14.6	173.6	-60.8	-173.4	-176.3	171.2	0	113	Q25 C26	Q25-K28 PolarHBondContact O-N 2.65Å; Q25-K28 VanDerWaalsContact OE1-CD 3.32Å; C26-K28 PolarHBondContact O-N 3.42Å
29	K	97.1	Very high	96	Very high	169 Å²	169	114.1 Å²	114.1	74%	0.735	60%	0.597	S	S	*	*	S	Bend	trans	-83.3	137.5	175.6	-62.1	-179.5	-178.7	-179.9	0	108.9	C26 L27	C26-K29 PolarHBondContact O-N 3.34Å; L27-K29 VanDerWaalsContact C-N 3.31Å
30	R	96.8	Very high	96.5	Very high	237 Å²	237	107.8 Å²	107.8	89%	0.894	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-61.5	139.4	172.3	-69.3	-172.2	-178.2	-166.9	0.9	109.7
31	M	97.1	Very high	96.7	Very high	170 Å²	170	102.8 Å²	102.8	84%	0.837	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-64.8	134.7	174.2	-174.8	175.7	68.7	0	0	109.9	V33	M31-V33 HydrophobicContact CE-CG2 4.21Å; M31-V33 HydrophobicContact CG-CG2 4.17Å; M31-V33 HydrophobicContact SD-CG2 4.33Å
32	V	96.1	Very high	96.7	Very high	129 Å²	129	96.9 Å²	96.9	78%	0.782	50%	0.5	S	S	*	.			trans	-123.5	126.2	174.2	179.8	0	0	0	0	107.7
33	V	95.3	Very high	96.9	Very high	110 Å²	110	94.8 Å²	94.8	67%	0.667	49%	0.486	S	S	*	.			trans	-117.9	122.4	177.4	-175.4	0	0	0	0	108	M31	M31-V33 HydrophobicContact CE-CG2 4.21Å; M31-V33 HydrophobicContact CG-CG2 4.17Å; M31-V33 HydrophobicContact SD-CG2 4.33Å
34	P	96.1	Very high	97	Very high	84 Å²	84	90.6 Å²	90.6	55%	0.545	46%	0.459	S	S	.	.			trans	-73.5	149.3	-179.7	30.8	-34.6	0	0	0	111.1	R36	P34-R36 HydrophobicContact CG-CG 4.5Å
35	H	95.3	Very high	97	Very high	133 Å²	133	88.7 Å²	88.7	62%	0.616	45%	0.445	S	S	*	.			trans	-71.4	130.5	168	-176.1	-87.3	0	0	0	110.2	Y37	H35-Y37 AromaticContact CE1-CE1 3.98Å
36	R	97.7	Very high	97.1	Very high	80 Å²	80	84.3 Å²	84.3	30%	0.302	43%	0.427	S	S	.	.			trans	-138.4	143.6	177	-61.6	-64.2	-170.5	179.9	10.3	110.1	P34 M38 N45 M354 S358	P34-R36 HydrophobicContact CG-CG 4.5Å; R36-M38 HydrophobicContact CB-SD 3.82Å; R36-N45 PolarHBondContact O-ND2 3.4Å; R36-M354 PolarHBondContact NH1-O 3.42Å; R36-S358 CarbonylContact C-O 3.53Å; R36-S358 WeakPolarHBondContact CA-O 3.37Å; R36-S358 PolarHBondContact NH1-OG 2.91Å
37	Y	98.4	Very high	97.2	Very high	88 Å²	88	81.4 Å²	81.4	35%	0.345	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	113.2	167.6	-63	-74.8	0	0	0	108.8	H35 F39 S358 L359 E360 M389	H35-Y37 AromaticContact CE1-CE1 3.98Å; Y37-F39 HydrophobicContact CD1-CE2 4.42Å; Y37-F39 AromaticContact CD1-CZ 3.99Å; Y37-F39 HydrophobicContact CD1-CZ 3.99Å; Y37-F39 HydrophobicContact CG-CE2 4.23Å; Y37-F39 HydrophobicContact CG-CZ 4.21Å; Y37-F39 PolarHBondContact O-N 3.42Å; Y37-S358 PolarHBondContact N-O 3.31Å; Y37-L359 CarbonylContact O-C 3.53Å; Y37-L359 WeakPolarHBondContact O-CA 3.33Å; Y37-E360 PolarHBondContact O-N 3.44Å; Y37-M389 HydrophobicContact CD1-CE 4.1Å; Y37-M389 HydrophobicContact CE1-CE 3.97Å; Y37-M389 HydrophobicContact CE1-SD 4.23Å; Y37-M389 HydrophobicContact CE2-SD 4.35Å
38	M	98.4	Very high	97.2	Very high	36 Å²	36	80.5 Å²	80.5	18%	0.177	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	81.6	-173.1	-57.6	-60.2	-66.5	0	0	109.8	R36 P43 N45 E360 N381	R36-M38 HydrophobicContact CB-SD 3.82Å; M38-P43 WeakPolarHBondContact CB-O 3.33Å; M38-P43 HydrophobicContact CE-CG 4.48Å; M38-N45 PolarHBondContact N-OD1 3.35Å; M38-E360 HydrophobicContact CE-CB 4.43Å; M38-E360 VanDerWaalsContact CE-CD 3.48Å; M38-E360 WeakPolarHBondContact CE-OE1 3.33Å; M38-E360 WeakPolarHBondContact CE-OE2 3.4Å; M38-E360 HydrophobicContact SD-CB 4.25Å; M38-N381 PolarHBondContact O-ND2 2.91Å
39	F	98.6	Very high	97.3	Very high	0 Å²	0	79 Å²	79	0%	0	39%	0.39	C	S	.	.			trans	-106.3	21.6	178.5	-52.4	-37.8	0	0	0	112.3	Y37 L359 E360 V375 G376 N381 N386 M389 V390	Y37-F39 HydrophobicContact CD1-CE2 4.42Å; Y37-F39 AromaticContact CD1-CZ 3.99Å; Y37-F39 HydrophobicContact CD1-CZ 3.99Å; Y37-F39 HydrophobicContact CG-CE2 4.23Å; Y37-F39 HydrophobicContact CG-CZ 4.21Å; Y37-F39 PolarHBondContact O-N 3.42Å; F39-L359 HydrophobicContact CB-CD2 4.45Å; F39-L359 HydrophobicContact CD2-CD1 3.58Å; F39-L359 HydrophobicContact CD2-CD2 3.94Å; F39-L359 HydrophobicContact CD2-CG 3.57Å; F39-L359 HydrophobicContact CE2-CD1 3.73Å; F39-L359 HydrophobicContact CE2-CG 4.06Å; F39-E360 CarbonylContact C-O 3.57Å; F39-E360 VanDerWaalsContact CA-O 3.24Å; F39-E360 WeakPolarHBondContact CA-O 3.27Å; F39-E360 WeakPolarHBondContact CB-O 3.41Å; F39-E360 PolarHBondContact N-O 3.14Å; F39-E360 VanDerWaalsContact N-O 3.07Å; F39-V375 HydrophobicContact CB-CG1 4.37Å; F39-V375 CarbonylContact O-C 3.54Å; F39-V375 VanDerWaalsContact O-CA 3.29Å; F39-V375 WeakPolarHBondContact O-CA 3.48Å; F39-G376 WeakPolarHBondContact CA-O 3.11Å; F39-G376 PolarHBondContact O-N 3.46Å; F39-N381 HydrophobicContact CD1-CB 4.04Å; F39-N381 HydrophobicContact CE1-CB 3.92Å; F39-N386 HydrophobicContact CE1-CB 3.95Å; F39-N386 HydrophobicContact CE2-CB 4.2Å; F39-N386 HydrophobicContact CZ-CB 3.59Å; F39-N386 VanDerWaalsContact CZ-CG 3.5Å; F39-M389 HydrophobicContact CE2-CE 4.12Å; F39-M389 HydrophobicContact CZ-CE 3.95Å; F39-V390 HydrophobicContact CB-CG2 4.13Å; F39-V390 HydrophobicContact CD2-CG2 3.32Å; F39-V390 HydrophobicContact CE2-CG2 3.96Å; F39-V390 HydrophobicContact CG-CG2 3.99Å
40	G	98.1	Very high	97.4	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-69.5	178.4	161.1	0	0	0	0	0	111	G42 E360 G376 M378	G40-G42 PolarHBondContact O-N 2.86Å; G40-E360 PolarHBondContact N-O 3.07Å; G40-G376 VanDerWaalsContact O-CA 3.28Å; G40-G376 WeakPolarHBondContact O-CA 3.36Å; G40-G376 PolarHBondContact O-N 3.18Å; G40-M378 WeakPolarHBondContact O-CE 3.27Å
41	P	97.1	Very high	97.5	Very high	10 Å²	10	63.6 Å²	63.6	7%	0.065	33%	0.333	C	S	.	.	S	Bend	trans	-73.5	11.1	178.5	32.7	-34.3	0	0	0	113.1	K222 V335 S362 R374	P41-K222 WeakPolarHBondContact O-CD 3.45Å; P41-K222 WeakPolarHBondContact O-CE 3.47Å; P41-K222 PolarHBondContact O-NZ 3.19Å; P41-V335 HydrophobicContact CB-CG1 3.88Å; P41-V335 HydrophobicContact CB-CG2 4.12Å; P41-S362 WeakPolarHBondContact CD-OG 3.43Å; P41-R374 HydrophobicContact CG-CB 4.44Å; P41-R374 VanDerWaalsContact CG-NH1 3.31Å
42	G	93.8	Very high	97.5	Very high	25 Å²	25	60.4 Å²	60.4	26%	0.258	32%	0.316	S	S	.	.	S	Bend	trans	133.5	147	178.2	0	0	0	0	0	112	G40	G40-G42 PolarHBondContact O-N 2.86Å
43	P	97.8	Very high	97.7	Very high	53 Å²	53	54.6 Å²	54.6	34%	0.344	28%	0.282	S	S	.	.	P	Polyproline II helix	cis	-72.6	152.2	0.3	31.8	-35.6	0	0	0	112.7	M38 Q221	M38-P43 WeakPolarHBondContact CB-O 3.33Å; M38-P43 HydrophobicContact CE-CG 4.48Å; P43-Q221 WeakPolarHBondContact CA-O 3.32Å; P43-Q221 HydrophobicContact CB-CB 3.96Å; P43-Q221 HydrophobicContact CB-CG 4.01Å
44	S	98.4	Very high	97.8	Very high	8 Å²	8	50.6 Å²	50.6	6%	0.056	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-78.7	168.5	171	65.9	0	0	0	0	111.6	Q221 K222 N225	S44-Q221 PolarHBondContact N-O 3.27Å; S44-K222 PolarHBondContact OG-O 2.76Å; S44-K222 VanDerWaalsContact OG-O 3.13Å; S44-N225 WeakPolarHBondContact CB-ND2 3.49Å; S44-N225 WeakPolarHBondContact OG-CA 3.38Å; S44-N225 PolarHBondContact OG-ND2 2.63Å
45	N	98.6	Very high	97.9	Very high	35 Å²	35	50.6 Å²	50.6	19%	0.187	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-63	157.3	164.1	-64	95.6	0	0	0	110.3	R36 M38 N225 N381	R36-N45 PolarHBondContact O-ND2 3.4Å; M38-N45 PolarHBondContact N-OD1 3.35Å; N45-N225 WeakPolarHBondContact O-CB 3.4Å; N45-N381 WeakPolarHBondContact CB-OD1 3.41Å; N45-N381 PolarHBondContact N-ND2 2.91Å; N45-N381 PolarHBondContact OD1-ND2 3.23Å
46	V	98.4	Very high	98	Very high	36 Å²	36	50.2 Å²	50.2	22%	0.218	27%	0.266	C	S	.	.			trans	-112	120.8	-177.4	-177.4	0	0	0	0	108.7	I50 L51 N225 P227	V46-I50 HydrophobicContact CG1-CB 3.7Å; V46-I50 HydrophobicContact CG1-CG2 3.55Å; V46-L51 HydrophobicContact CB-CD2 3.81Å; V46-L51 HydrophobicContact CB-CG 3.98Å; V46-L51 HydrophobicContact CG1-CD2 3.66Å; V46-L51 HydrophobicContact CG1-CG 3.69Å; V46-L51 HydrophobicContact CG2-CD2 4.46Å; V46-N225 WeakPolarHBondContact CA-O 3.29Å; V46-N225 VanDerWaalsContact CG1-O 3.31Å; V46-N225 WeakPolarHBondContact CG1-O 3.45Å; V46-N225 WeakPolarHBondContact CG2-O 3.43Å; V46-P227 HydrophobicContact CG2-CG 4.36Å
47	P	98.3	Very high	98	Very high	31 Å²	31	51.4 Å²	51.4	20%	0.201	28%	0.284	C	S	.	.			trans	-52.1	146	171.8	-28.9	32.3	0	0	0	113.2	R49 I50 L51 N225 C380	P47-R49 VanDerWaalsContact C-N 3.3Å; P47-R49 PolarHBondContact O-N 3.4Å; P47-I50 HydrophobicContact CB-CD1 4.24Å; P47-I50 HydrophobicContact CB-CG1 4.45Å; P47-I50 HydrophobicContact CG-CD1 3.99Å; P47-I50 WeakPolarHBondContact O-CB 3.33Å; P47-I50 PolarHBondContact O-N 3.02Å; P47-L51 PolarHBondContact O-N 3.4Å; P47-L51 VanDerWaalsContact O-N 3.11Å; P47-N225 VanDerWaalsContact CD-CB 3.44Å; P47-N225 HydrophobicContact CG-CB 4.17Å; P47-C380 HydrophobicContact CG-CB 3.92Å
48	Q	98.1	Very high	98	Very high	120 Å²	120	52.3 Å²	52.3	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-54.4	-43	-177.6	-177.5	61.1	24.7	0	0	112.9	I50 L51 E52	Q48-I50 PolarHBondContact O-N 3.07Å; Q48-L51 PolarHBondContact O-N 2.87Å; Q48-L51 VanDerWaalsContact O-N 3.13Å; Q48-E52 HydrophobicContact CG-CG 4.44Å; Q48-E52 VanDerWaalsContact CG-OE1 3.31Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.44Å; Q48-E52 PolarHBondContact NE2-OE1 3.29Å; Q48-E52 WeakPolarHBondContact O-CG 3.4Å; Q48-E52 PolarHBondContact O-N 3.26Å
49	R	98.2	Very high	98	Very high	104 Å²	104	53.3 Å²	53.3	39%	0.392	30%	0.304	S	S	.	.	H	α-helix	trans	-55.3	-37.4	176.4	-180	176.8	170.9	-172.5	-2.7	112.7	P47 A53 E288 D295	P47-R49 VanDerWaalsContact C-N 3.3Å; P47-R49 PolarHBondContact O-N 3.4Å; R49-A53 PolarHBondContact O-N 3.23Å; R49-E288 IonicContact CZ-OE2 2.95Å; R49-E288 IonicContact NE-OE2 3.11Å; R49-E288 PolarHBondContact NE-OE2 3.13Å; R49-E288 IonicContact NH2-OE2 2.65Å; R49-E288 PolarHBondContact NH2-OE2 3.36Å; R49-D295 IonicContact CZ-OD2 2.77Å; R49-D295 IonicContact NH1-OD2 3.58Å; R49-D295 PolarHBondContact NH1-OD2 3.33Å; R49-D295 IonicContact NH2-OD2 3.54Å
50	I	98.8	Very high	98	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-77.8	-38.7	179.8	-62.1	171.3	0	0	0	110.6	V46 P47 Q48 E52 A53 G54 E288 V292	V46-I50 HydrophobicContact CG1-CB 3.7Å; V46-I50 HydrophobicContact CG1-CG2 3.55Å; P47-I50 HydrophobicContact CB-CD1 4.24Å; P47-I50 HydrophobicContact CB-CG1 4.45Å; P47-I50 HydrophobicContact CG-CD1 3.99Å; P47-I50 WeakPolarHBondContact O-CB 3.33Å; P47-I50 PolarHBondContact O-N 3.02Å; Q48-I50 PolarHBondContact O-N 3.07Å; I50-E52 VanDerWaalsContact C-N 3.34Å; I50-E52 PolarHBondContact O-N 3.26Å; I50-A53 WeakPolarHBondContact O-CB 3.24Å; I50-A53 PolarHBondContact O-N 3.19Å; I50-G54 PolarHBondContact O-N 3.05Å; I50-E288 HydrophobicContact CG1-CB 4.23Å; I50-V292 HydrophobicContact CG1-CG2 4.47Å
51	L	98.4	Very high	97.9	Very high	83 Å²	83	56.5 Å²	56.5	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-42.5	173.9	-69.6	175.5	0	0	0	112	V46 P47 Q48 A53 G54 A55	V46-L51 HydrophobicContact CB-CD2 3.81Å; V46-L51 HydrophobicContact CB-CG 3.98Å; V46-L51 HydrophobicContact CG1-CD2 3.66Å; V46-L51 HydrophobicContact CG1-CG 3.69Å; V46-L51 HydrophobicContact CG2-CD2 4.46Å; P47-L51 PolarHBondContact O-N 3.4Å; P47-L51 VanDerWaalsContact O-N 3.11Å; Q48-L51 PolarHBondContact O-N 2.87Å; Q48-L51 VanDerWaalsContact O-N 3.13Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 3.24Å; L51-G54 PolarHBondContact O-N 2.85Å; L51-A55 PolarHBondContact O-N 3.34Å; L51-A55 VanDerWaalsContact O-N 3.14Å
52	E	98.6	Very high	97.9	Very high	102 Å²	102	58.6 Å²	58.6	48%	0.477	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-32	177.5	-73.7	171.6	-175	0	0	112.6	Q48 I50 A55	Q48-E52 HydrophobicContact CG-CG 4.44Å; Q48-E52 VanDerWaalsContact CG-OE1 3.31Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.44Å; Q48-E52 PolarHBondContact NE2-OE1 3.29Å; Q48-E52 WeakPolarHBondContact O-CG 3.4Å; Q48-E52 PolarHBondContact O-N 3.26Å; I50-E52 VanDerWaalsContact C-N 3.34Å; I50-E52 PolarHBondContact O-N 3.26Å; E52-A55 PolarHBondContact O-N 2.88Å
53	A	98.6	Very high	98.1	Very high	8 Å²	8	61.8 Å²	61.8	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-46.8	172.7	0	0	0	0	0	111.4	R49 I50 L51 A55 K56 Y284 E288	R49-A53 PolarHBondContact O-N 3.23Å; I50-A53 WeakPolarHBondContact O-CB 3.24Å; I50-A53 PolarHBondContact O-N 3.19Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 3.24Å; A53-A55 PolarHBondContact O-N 3.46Å; A53-K56 WeakPolarHBondContact O-CB 3.2Å; A53-K56 VanDerWaalsContact O-CG 3.29Å; A53-K56 WeakPolarHBondContact O-CG 3.38Å; A53-K56 PolarHBondContact O-N 3.47Å; A53-Y284 WeakPolarHBondContact O-CB 3.4Å; A53-Y284 WeakPolarHBondContact O-CD2 3.49Å; A53-E288 HydrophobicContact CB-CB 4.01Å; A53-E288 HydrophobicContact CB-CG 3.49Å; A53-E288 VanDerWaalsContact CB-CG 3.49Å
54	G	97.8	Very high	98.1	Very high	26 Å²	26	63.3 Å²	63.3	27%	0.268	35%	0.354	S	S	.	.	H	α-helix	trans	-64	-21.1	176.8	0	0	0	0	0	114.2	I50 L51 S285	I50-G54 PolarHBondContact O-N 3.05Å; L51-G54 PolarHBondContact O-N 2.85Å; G54-S285 WeakPolarHBondContact CA-OG 3.27Å; G54-S285 PolarHBondContact N-OG 2.7Å
55	A	98.1	Very high	98.1	Very high	84 Å²	84	67.7 Å²	67.7	69%	0.694	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.2	178.3	0	0	0	0	0	114.3	L51 E52 A53	L51-A55 PolarHBondContact O-N 3.34Å; L51-A55 VanDerWaalsContact O-N 3.14Å; E52-A55 PolarHBondContact O-N 2.88Å; A53-A55 PolarHBondContact O-N 3.46Å
56	K	98.3	Very high	98.1	Very high	125 Å²	125	66 Å²	66	54%	0.543	36%	0.364	S	S	.	.	S	Bend	trans	-67.5	154.2	178.8	-63.2	-64.6	-179.9	-179.6	0	111.9	A53 Y284	A53-K56 WeakPolarHBondContact O-CB 3.2Å; A53-K56 VanDerWaalsContact O-CG 3.29Å; A53-K56 WeakPolarHBondContact O-CG 3.38Å; A53-K56 PolarHBondContact O-N 3.47Å; K56-Y284 HydrophobicContact CB-CD2 3.95Å; K56-Y284 HydrophobicContact CB-CE2 3.94Å
57	P	98	Very high	98.1	Very high	104 Å²	104	66.5 Å²	66.5	68%	0.675	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-54.2	140.8	173.9	-25.5	34.7	0	0	0	112.7	Y284	P57-Y284 PolarHBondContact O-OH 3.2Å
58	V	98.2	Very high	98.1	Very high	107 Å²	107	71.2 Å²	71.2	65%	0.648	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-77.2	125.7	175.1	-177.5	0	0	0	0	109	V280 T281	V58-V280 HydrophobicContact CG1-CB 4.33Å; V58-V280 HydrophobicContact CG1-CG1 4.24Å; V58-T281 HydrophobicContact CG2-CG2 3.77Å
59	I	98.1	Very high	98.1	Very high	58 Å²	58	67.1 Å²	67.1	30%	0.297	37%	0.365	S	S	.	.			trans	-107.8	170.5	170.9	70.5	-177.7	0	0	0	110.2	H61 E65 I66 Y284	I59-H61 PolarHBondContact O-N 3.48Å; I59-E65 HydrophobicContact CD1-CB 3.8Å; I59-I66 HydrophobicContact CD1-CD1 3.72Å; I59-I66 HydrophobicContact CD1-CG1 3.81Å; I59-I66 HydrophobicContact CG1-CD1 3.57Å; I59-I66 HydrophobicContact CG1-CG1 3.65Å; I59-Y284 WeakPolarHBondContact CG1-OH 3.31Å
60	G	98.3	Very high	98.2	Very high	26 Å²	26	62.2 Å²	62.2	27%	0.268	35%	0.346	S	S	.	.			trans	-61.5	127.7	-179.4	0	0	0	0	0	112.1	M62 H63 I66	G60-M62 PolarHBondContact O-N 3.42Å; G60-H63 PolarHBondContact N-ND1 2.65Å; G60-H63 VanDerWaalsContact O-CB 3.25Å; G60-H63 WeakPolarHBondContact O-CB 3.47Å; G60-H63 VanDerWaalsContact O-CG 3.32Å; G60-H63 PolarHBondContact O-N 2.92Å; G60-I66 VanDerWaalsContact O-CG1 3.29Å; G60-I66 WeakPolarHBondContact O-CG1 3.36Å
61	H	96.9	Very high	98.1	Very high	41 Å²	41	64.3 Å²	64.3	19%	0.19	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-6.8	-175	69	-79	0	0	0	115.6	I59 I66 Y274 T277 V280	I59-H61 PolarHBondContact O-N 3.48Å; H61-I66 WeakPolarHBondContact O-CG2 3.15Å; H61-Y274 AromaticContact NE2-CD2 3.49Å; H61-Y274 WeakPolarHBondContact NE2-CD2 3.25Å; H61-Y274 AromaticContact NE2-CE2 3.53Å; H61-T277 HydrophobicContact CB-CG2 4.31Å; H61-V280 HydrophobicContact CB-CG2 3.71Å
62	M	97.4	Very high	98.2	Very high	54 Å²	54	63.7 Å²	63.7	27%	0.266	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	11.8	174.2	-63.3	-66	-75.8	0	0	112.2	G60 F67 Y263 R272	G60-M62 PolarHBondContact O-N 3.42Å; M62-F67 HydrophobicContact CB-CE1 4.41Å; M62-F67 HydrophobicContact CB-CZ 4.03Å; M62-F67 HydrophobicContact CE-CE1 4.33Å; M62-F67 HydrophobicContact CE-CZ 3.91Å; M62-F67 WeakPolarHBondContact O-CE2 3.21Å; M62-F67 WeakPolarHBondContact O-CZ 3.46Å; M62-F67 HydrophobicContact SD-CE1 3.94Å; M62-F67 HydrophobicContact SD-CZ 4.04Å; M62-Y263 HydrophobicContact SD-CD2 4.21Å; M62-Y263 HydrophobicContact SD-CE2 3.72Å; M62-R272 HydrophobicContact CE-CB 4.42Å; M62-R272 WeakPolarHBondContact CE-O 3.26Å
63	H	97.9	Very high	98.2	Very high	92 Å²	92	58.8 Å²	58.8	43%	0.426	34%	0.335	S	S	.	.	S	Bend	trans	-72.5	152.2	175	-70.3	-168.7	0	0	0	110.9	G60 E65 I66 F67	G60-H63 PolarHBondContact N-ND1 2.65Å; G60-H63 VanDerWaalsContact O-CB 3.25Å; G60-H63 WeakPolarHBondContact O-CB 3.47Å; G60-H63 VanDerWaalsContact O-CG 3.32Å; G60-H63 PolarHBondContact O-N 2.92Å; H63-E65 WeakPolarHBondContact CB-OE2 3.35Å; H63-E65 PolarHBondContact O-N 2.98Å; H63-I66 PolarHBondContact O-N 2.85Å; H63-F67 PolarHBondContact O-N 3.5Å
64	P	97.7	Very high	98.2	Very high	85 Å²	85	59.7 Å²	59.7	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-51.9	-39.8	178.3	-27.7	36	0	0	0	114	I66 F67 E68	P64-I66 VanDerWaalsContact C-N 3.3Å; P64-I66 PolarHBondContact O-N 2.96Å; P64-F67 WeakPolarHBondContact O-CA 3.46Å; P64-F67 WeakPolarHBondContact O-CB 3.41Å; P64-F67 PolarHBondContact O-N 3.31Å; P64-E68 PolarHBondContact O-N 3.49Å
65	E	98.1	Very high	98.3	Very high	99 Å²	99	61.6 Å²	61.6	46%	0.463	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-33.8	-179.8	-57.7	88.5	158.7	0	0	112	I59 H63 F67 E68 I69	I59-E65 HydrophobicContact CD1-CB 3.8Å; H63-E65 WeakPolarHBondContact CB-OE2 3.35Å; H63-E65 PolarHBondContact O-N 2.98Å; E65-F67 VanDerWaalsContact C-N 3.34Å; E65-E68 PolarHBondContact O-N 2.88Å; E65-I69 VanDerWaalsContact O-CG1 3.32Å; E65-I69 WeakPolarHBondContact O-CG1 3.43Å; E65-I69 PolarHBondContact O-N 3.47Å
66	I	98.3	Very high	98.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.5	-36.1	172.4	-65.1	-58.3	0	0	0	110.6	I59 G60 H61 H63 P64 E68 I69 M70 V280 Y284	I59-I66 HydrophobicContact CD1-CD1 3.72Å; I59-I66 HydrophobicContact CD1-CG1 3.81Å; I59-I66 HydrophobicContact CG1-CD1 3.57Å; I59-I66 HydrophobicContact CG1-CG1 3.65Å; G60-I66 VanDerWaalsContact O-CG1 3.29Å; G60-I66 WeakPolarHBondContact O-CG1 3.36Å; H61-I66 WeakPolarHBondContact O-CG2 3.15Å; H63-I66 PolarHBondContact O-N 2.85Å; P64-I66 VanDerWaalsContact C-N 3.3Å; P64-I66 PolarHBondContact O-N 2.96Å; I66-E68 VanDerWaalsContact C-N 3.33Å; I66-E68 PolarHBondContact O-N 3.02Å; I66-I69 HydrophobicContact CD1-CD1 4.28Å; I66-I69 PolarHBondContact O-N 3.4Å; I66-M70 HydrophobicContact CG2-CG 4.22Å; I66-M70 HydrophobicContact CG2-SD 3.88Å; I66-M70 WeakPolarHBondContact O-CB 3.39Å; I66-M70 WeakPolarHBondContact O-CG 3.32Å; I66-M70 PolarHBondContact O-N 3.03Å; I66-V280 HydrophobicContact CD1-CG1 3.74Å; I66-V280 HydrophobicContact CD1-CG2 4.38Å; I66-Y284 HydrophobicContact CD1-CE1 3.68Å
67	F	98	Very high	98.3	Very high	47 Å²	47	52.4 Å²	52.4	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-66.9	-35.8	176.4	-59.8	-24.3	0	0	0	112.7	M62 H63 P64 E65 M70 S71 R272	M62-F67 HydrophobicContact CB-CE1 4.41Å; M62-F67 HydrophobicContact CB-CZ 4.03Å; M62-F67 HydrophobicContact CE-CE1 4.33Å; M62-F67 HydrophobicContact CE-CZ 3.91Å; M62-F67 WeakPolarHBondContact O-CE2 3.21Å; M62-F67 WeakPolarHBondContact O-CZ 3.46Å; M62-F67 HydrophobicContact SD-CE1 3.94Å; M62-F67 HydrophobicContact SD-CZ 4.04Å; H63-F67 PolarHBondContact O-N 3.5Å; P64-F67 WeakPolarHBondContact O-CA 3.46Å; P64-F67 WeakPolarHBondContact O-CB 3.41Å; P64-F67 PolarHBondContact O-N 3.31Å; E65-F67 VanDerWaalsContact C-N 3.34Å; F67-M70 HydrophobicContact CD1-SD 4.11Å; F67-S71 WeakPolarHBondContact O-CB 3.04Å; F67-S71 PolarHBondContact O-N 2.92Å; F67-S71 PolarHBondContact O-OG 3.16Å; F67-R272 HydrophobicContact CE1-CB 4.38Å; F67-R272 HydrophobicContact CZ-CB 4.19Å; F67-R272 PolarHBondContact O-NH2 3Å
68	E	98.4	Very high	98.4	Very high	129 Å²	129	49.6 Å²	49.6	60%	0.603	27%	0.273	S	S	*	.	H	α-helix	trans	-61.9	-51	170.4	-70.3	177.9	-178	0	0	110.8	P64 E65 I66 M70 S71 D72	P64-E68 PolarHBondContact O-N 3.49Å; E65-E68 PolarHBondContact O-N 2.88Å; I66-E68 VanDerWaalsContact C-N 3.33Å; I66-E68 PolarHBondContact O-N 3.02Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.24Å; E68-S71 CarbonylContact O-C 3.6Å; E68-S71 WeakPolarHBondContact O-CA 3.19Å; E68-S71 WeakPolarHBondContact O-CB 3.49Å; E68-S71 PolarHBondContact O-N 3.13Å; E68-D72 PolarHBondContact O-N 3.28Å
69	I	98.8	Very high	98.4	Very high	35 Å²	35	48.5 Å²	48.5	18%	0.179	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-42.9	176.6	-70.3	166.1	0	0	0	111.7	E65 I66 S71 D72 I73 F283 Y284 R287	E65-I69 VanDerWaalsContact O-CG1 3.32Å; E65-I69 WeakPolarHBondContact O-CG1 3.43Å; E65-I69 PolarHBondContact O-N 3.47Å; I66-I69 HydrophobicContact CD1-CD1 4.28Å; I66-I69 PolarHBondContact O-N 3.4Å; I69-S71 VanDerWaalsContact C-N 3.29Å; I69-S71 PolarHBondContact O-N 2.75Å; I69-D72 WeakPolarHBondContact O-CB 3.49Å; I69-D72 PolarHBondContact O-N 2.82Å; I69-I73 HydrophobicContact CG2-CD1 3.99Å; I69-I73 VanDerWaalsContact O-CG1 3.26Å; I69-I73 WeakPolarHBondContact O-CG1 3.42Å; I69-I73 PolarHBondContact O-N 2.97Å; I69-F283 HydrophobicContact CG2-CB 4.32Å; I69-Y284 HydrophobicContact CD1-CD1 3.82Å; I69-Y284 HydrophobicContact CD1-CE1 3.64Å; I69-R287 HydrophobicContact CG2-CB 4.15Å; I69-R287 HydrophobicContact CG2-CG 4.31Å
70	M	98.8	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-37.8	174.7	-72.2	169.7	76.4	0	0	111.5	I66 F67 E68 I73 K74 Y263 W264 R272 F283	I66-M70 HydrophobicContact CG2-CG 4.22Å; I66-M70 HydrophobicContact CG2-SD 3.88Å; I66-M70 WeakPolarHBondContact O-CB 3.39Å; I66-M70 WeakPolarHBondContact O-CG 3.32Å; I66-M70 PolarHBondContact O-N 3.03Å; F67-M70 HydrophobicContact CD1-SD 4.11Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.24Å; M70-I73 PolarHBondContact O-N 3.46Å; M70-K74 VanDerWaalsContact O-CG 3.27Å; M70-K74 WeakPolarHBondContact O-CG 3.35Å; M70-K74 PolarHBondContact O-N 3.11Å; M70-Y263 HydrophobicContact CE-CD1 3.97Å; M70-Y263 HydrophobicContact CE-CE1 3.58Å; M70-Y263 HydrophobicContact CE-CE2 4.29Å; M70-Y263 HydrophobicContact CE-CG 4.47Å; M70-Y263 WeakPolarHBondContact CE-O 3.48Å; M70-W264 HydrophobicContact CB-CE3 3.86Å; M70-W264 HydrophobicContact CB-CH2 4.38Å; M70-W264 HydrophobicContact CB-CZ3 3.63Å; M70-W264 HydrophobicContact CE-CB 4.49Å; M70-W264 HydrophobicContact CE-CD2 3.42Å; M70-W264 VanDerWaalsContact CE-CD2 3.42Å; M70-W264 HydrophobicContact CE-CE3 3.65Å; M70-W264 HydrophobicContact CE-CG 3.85Å; M70-W264 HydrophobicContact CE-CH2 4.31Å; M70-W264 HydrophobicContact CE-CZ2 4.14Å; M70-W264 HydrophobicContact CE-CZ3 4.1Å; M70-W264 HydrophobicContact CG-CE3 4.19Å; M70-W264 HydrophobicContact CG-CH2 4.07Å; M70-W264 HydrophobicContact CG-CZ3 3.81Å; M70-R272 PolarHBondContact SD-NH1 3.35Å; M70-F283 HydrophobicContact CG-CD2 4.3Å; M70-F283 HydrophobicContact CG-CE2 4.32Å
71	S	98.6	Very high	98.5	Very high	46 Å²	46	44.5 Å²	44.5	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-70.6	-38.1	178.4	-53.4	0	0	0	0	112.1	F67 E68 I69 K74 S75 R272	F67-S71 WeakPolarHBondContact O-CB 3.04Å; F67-S71 PolarHBondContact O-N 2.92Å; F67-S71 PolarHBondContact O-OG 3.16Å; E68-S71 CarbonylContact O-C 3.6Å; E68-S71 WeakPolarHBondContact O-CA 3.19Å; E68-S71 WeakPolarHBondContact O-CB 3.49Å; E68-S71 PolarHBondContact O-N 3.13Å; I69-S71 VanDerWaalsContact C-N 3.29Å; I69-S71 PolarHBondContact O-N 2.75Å; S71-K74 PolarHBondContact O-N 2.75Å; S71-S75 PolarHBondContact O-N 3.15Å; S71-S75 PolarHBondContact O-OG 3.45Å; S71-R272 PolarHBondContact OG-NH2 3.21Å; S71-R272 VanDerWaalsContact OG-NH2 3.13Å
72	D	98.9	Very high	98.6	Very high	69 Å²	69	45.9 Å²	45.9	37%	0.369	24%	0.238	S	C	.	.	H	α-helix	trans	-59.8	-46.4	169.7	-78.9	2.8	0	0	0	110.9	E68 I69 K74 S75 G76 R287	E68-D72 PolarHBondContact O-N 3.28Å; I69-D72 WeakPolarHBondContact O-CB 3.49Å; I69-D72 PolarHBondContact O-N 2.82Å; D72-K74 VanDerWaalsContact C-N 3.35Å; D72-K74 PolarHBondContact O-N 2.85Å; D72-S75 PolarHBondContact O-N 3.38Å; D72-G76 PolarHBondContact O-N 2.87Å; D72-R287 HydrophobicContact CB-CG 3.92Å; D72-R287 IonicContact OD2-CZ 3.86Å; D72-R287 VanDerWaalsContact OD2-CZ 3.32Å; D72-R287 IonicContact OD2-NE 2.61Å; D72-R287 PolarHBondContact OD2-NE 2.87Å; D72-R287 IonicContact OD2-NH2 2.59Å; D72-R287 PolarHBondContact OD2-NH2 3.26Å
73	I	98.9	Very high	98.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.3	-48	176.7	-72.3	164.8	0	0	0	110.2	I69 M70 S75 G76 I77 A90 W264 F283 L286 R287 L290	I69-I73 HydrophobicContact CG2-CD1 3.99Å; I69-I73 VanDerWaalsContact O-CG1 3.26Å; I69-I73 WeakPolarHBondContact O-CG1 3.42Å; I69-I73 PolarHBondContact O-N 2.97Å; M70-I73 PolarHBondContact O-N 3.46Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.11Å; I73-G76 PolarHBondContact O-N 3.41Å; I73-I77 HydrophobicContact CG2-CD1 3.51Å; I73-I77 HydrophobicContact CG2-CG1 4.18Å; I73-I77 WeakPolarHBondContact O-CG1 3.4Å; I73-I77 PolarHBondContact O-N 3.05Å; I73-A90 HydrophobicContact CG2-CB 4.19Å; I73-W264 HydrophobicContact CB-CZ3 4.32Å; I73-W264 HydrophobicContact CG2-CH2 4.17Å; I73-W264 HydrophobicContact CG2-CZ3 4.05Å; I73-F283 HydrophobicContact CD1-CB 3.78Å; I73-F283 HydrophobicContact CD1-CD1 4.3Å; I73-F283 HydrophobicContact CD1-CG 4.17Å; I73-F283 WeakPolarHBondContact CD1-O 3.41Å; I73-L286 HydrophobicContact CD1-CD2 4.41Å; I73-L286 HydrophobicContact CG2-CD2 3.76Å; I73-L286 HydrophobicContact CG2-CG 4.35Å; I73-R287 HydrophobicContact CD1-CB 4.2Å; I73-R287 HydrophobicContact CG1-CB 3.76Å; I73-R287 HydrophobicContact CG1-CG 4.28Å; I73-L290 HydrophobicContact CB-CD1 4.37Å; I73-L290 HydrophobicContact CG1-CD1 4.45Å; I73-L290 HydrophobicContact CG2-CD1 4.14Å
74	K	98.9	Very high	98.7	Very high	26 Å²	26	46.8 Å²	46.8	11%	0.113	24%	0.242	C	C	.	.	H	α-helix	trans	-56	-48.1	177.4	-69.2	174.8	62.8	178.3	0	111.7	M70 S71 D72 G76 I77 Q78 T88 W264 G265 C266	M70-K74 VanDerWaalsContact O-CG 3.27Å; M70-K74 WeakPolarHBondContact O-CG 3.35Å; M70-K74 PolarHBondContact O-N 3.11Å; S71-K74 PolarHBondContact O-N 2.75Å; D72-K74 VanDerWaalsContact C-N 3.35Å; D72-K74 PolarHBondContact O-N 2.85Å; K74-G76 VanDerWaalsContact C-N 3.34Å; K74-G76 PolarHBondContact O-N 3.49Å; K74-I77 PolarHBondContact O-N 2.92Å; K74-Q78 WeakPolarHBondContact O-CG 3.36Å; K74-Q78 PolarHBondContact O-N 2.95Å; K74-T88 WeakPolarHBondContact CE-O 3.38Å; K74-T88 VanDerWaalsContact CG-O 3.3Å; K74-T88 WeakPolarHBondContact CG-O 3.23Å; K74-W264 HydrophobicContact CD-CE3 4.13Å; K74-W264 VanDerWaalsContact CD-O 3.29Å; K74-W264 WeakPolarHBondContact CD-O 3.46Å; K74-W264 HydrophobicContact CG-CE3 3.91Å; K74-W264 HydrophobicContact CG-CZ3 4.3Å; K74-W264 PolarHBondContact NZ-O 3.47Å; K74-G265 PolarHBondContact NZ-O 3.18Å; K74-C266 VanDerWaalsContact CE-SG 3.56Å; K74-C266 PolarHBondContact NZ-SG 3.3Å
75	S	98.9	Very high	98.7	Very high	67 Å²	67	43.9 Å²	43.9	47%	0.469	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-42	178.9	-53.5	0	0	0	0	111.6	S71 D72 I73 Q78 Y79	S71-S75 PolarHBondContact O-N 3.15Å; S71-S75 PolarHBondContact O-OG 3.45Å; D72-S75 PolarHBondContact O-N 3.38Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.11Å; S75-Q78 PolarHBondContact O-N 3.2Å; S75-Y79 PolarHBondContact O-N 3.4Å
76	G	98.9	Very high	98.7	Very high	15 Å²	15	44.4 Å²	44.4	16%	0.155	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-37.1	175.7	0	0	0	0	0	113.2	D72 I73 K74 Y79 L80	D72-G76 PolarHBondContact O-N 2.87Å; I73-G76 PolarHBondContact O-N 3.41Å; K74-G76 VanDerWaalsContact C-N 3.34Å; K74-G76 PolarHBondContact O-N 3.49Å; G76-Y79 PolarHBondContact O-N 3.04Å; G76-L80 VanDerWaalsContact O-CB 3.3Å; G76-L80 WeakPolarHBondContact O-CB 3.39Å; G76-L80 PolarHBondContact O-N 2.94Å
77	I	98.9	Very high	98.8	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.9	-42.6	174.8	-62.5	165	0	0	0	110.2	I73 K74 Y79 L80 F81 T88 A90 P232 L290	I73-I77 HydrophobicContact CG2-CD1 3.51Å; I73-I77 HydrophobicContact CG2-CG1 4.18Å; I73-I77 WeakPolarHBondContact O-CG1 3.4Å; I73-I77 PolarHBondContact O-N 3.05Å; K74-I77 PolarHBondContact O-N 2.92Å; I77-Y79 VanDerWaalsContact C-N 3.31Å; I77-Y79 PolarHBondContact O-N 3.28Å; I77-L80 PolarHBondContact O-N 3.36Å; I77-F81 HydrophobicContact CG2-CD2 3.68Å; I77-F81 HydrophobicContact CG2-CE2 3.66Å; I77-F81 HydrophobicContact CG2-CG 4.14Å; I77-F81 HydrophobicContact CG2-CZ 4.1Å; I77-F81 WeakPolarHBondContact O-CB 3.44Å; I77-F81 PolarHBondContact O-N 2.9Å; I77-T88 HydrophobicContact CB-CG2 3.64Å; I77-T88 HydrophobicContact CG2-CG2 3.3Å; I77-A90 HydrophobicContact CD1-CB 4.3Å; I77-P232 HydrophobicContact CB-CB 4.46Å; I77-P232 HydrophobicContact CD1-CB 3.67Å; I77-P232 HydrophobicContact CD1-CG 4.18Å; I77-P232 HydrophobicContact CG1-CB 3.73Å; I77-P232 HydrophobicContact CG1-CG 4.15Å; I77-P232 HydrophobicContact CG2-CB 3.83Å; I77-L290 HydrophobicContact CG1-CD1 4.04Å
78	Q	98.9	Very high	98.8	Very high	45 Å²	45	42.8 Å²	42.8	21%	0.21	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-43.8	175.1	-76.8	172.9	-30.8	0	0	111.6	K74 S75 Q82 T83 N85 T88	K74-Q78 WeakPolarHBondContact O-CG 3.36Å; K74-Q78 PolarHBondContact O-N 2.95Å; S75-Q78 PolarHBondContact O-N 3.2Å; Q78-Q82 WeakPolarHBondContact O-CA 3.45Å; Q78-Q82 PolarHBondContact O-N 3.13Å; Q78-T83 HydrophobicContact CB-CG2 4.33Å; Q78-T83 WeakPolarHBondContact CB-O 3.4Å; Q78-T83 HydrophobicContact CG-CG2 4.26Å; Q78-T83 PolarHBondContact O-N 2.94Å; Q78-N85 PolarHBondContact NE2-O 3.48Å; Q78-T88 HydrophobicContact CG-CG2 3.98Å
79	Y	98.9	Very high	98.8	Very high	84 Å²	84	36.7 Å²	36.7	33%	0.329	19%	0.185	S	C	.	.	H	α-helix	trans	-60.3	-53.1	171.1	173.3	-106.3	0	0	0	111.7	S75 G76 I77 F81 Q82 A294 G297 L298	S75-Y79 PolarHBondContact O-N 3.4Å; G76-Y79 PolarHBondContact O-N 3.04Å; I77-Y79 VanDerWaalsContact C-N 3.31Å; I77-Y79 PolarHBondContact O-N 3.28Å; Y79-F81 VanDerWaalsContact C-N 3.29Å; Y79-F81 PolarHBondContact O-N 3.43Å; Y79-Q82 PolarHBondContact O-N 2.78Å; Y79-Q82 VanDerWaalsContact O-N 3.13Å; Y79-Q82 PolarHBondContact O-NE2 2.89Å; Y79-A294 HydrophobicContact CD1-CB 4.43Å; Y79-A294 HydrophobicContact CE1-CB 4.22Å; Y79-G297 WeakPolarHBondContact OH-CA 3.31Å; Y79-L298 HydrophobicContact CD1-CD1 4.39Å; Y79-L298 HydrophobicContact CD1-CG 4.45Å; Y79-L298 HydrophobicContact CE1-CD1 4Å; Y79-L298 HydrophobicContact CE1-CD2 4.42Å; Y79-L298 HydrophobicContact CE1-CG 3.7Å; Y79-L298 HydrophobicContact CE2-CD1 4.12Å; Y79-L298 HydrophobicContact CE2-CG 4.45Å; Y79-L298 WeakPolarHBondContact O-CD1 3.38Å; Y79-L298 PolarHBondContact OH-N 3.5Å
80	L	98.9	Very high	98.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-56.1	-41.7	-179.1	172.5	66.8	0	0	0	112.8	G76 I77 I201 T218 L224 L290 L293 L298	G76-L80 VanDerWaalsContact O-CB 3.3Å; G76-L80 WeakPolarHBondContact O-CB 3.39Å; G76-L80 PolarHBondContact O-N 2.94Å; I77-L80 PolarHBondContact O-N 3.36Å; L80-I201 HydrophobicContact CD1-CG1 3.64Å; L80-I201 HydrophobicContact CD1-CG2 4.4Å; L80-I201 HydrophobicContact CD2-CG1 4.25Å; L80-I201 HydrophobicContact CD2-CG2 4.3Å; L80-I201 HydrophobicContact CG-CG1 3.69Å; L80-T218 HydrophobicContact CD2-CG2 4.36Å; L80-L224 HydrophobicContact CD1-CD2 4.47Å; L80-L224 HydrophobicContact CD2-CD1 4.01Å; L80-L224 HydrophobicContact CD2-CD2 4.12Å; L80-L224 HydrophobicContact CD2-CG 4.41Å; L80-L290 HydrophobicContact CB-CD2 4.38Å; L80-L290 HydrophobicContact CD2-CD2 4.11Å; L80-L293 HydrophobicContact CD1-CD2 3.41Å; L80-L293 VanDerWaalsContact CD1-CD2 3.41Å; L80-L298 HydrophobicContact CD1-CD2 4.12Å
81	F	98.9	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-87.4	-10.9	-177.6	-72.7	-1.1	0	0	0	113.1	I77 Y79 T83 I201 M208 L216 T218 P232	I77-F81 HydrophobicContact CG2-CD2 3.68Å; I77-F81 HydrophobicContact CG2-CE2 3.66Å; I77-F81 HydrophobicContact CG2-CG 4.14Å; I77-F81 HydrophobicContact CG2-CZ 4.1Å; I77-F81 WeakPolarHBondContact O-CB 3.44Å; I77-F81 PolarHBondContact O-N 2.9Å; Y79-F81 VanDerWaalsContact C-N 3.29Å; Y79-F81 PolarHBondContact O-N 3.43Å; F81-T83 HydrophobicContact CB-CG2 3.54Å; F81-I201 HydrophobicContact CD1-CD1 3.91Å; F81-I201 HydrophobicContact CD1-CG1 3.89Å; F81-I201 HydrophobicContact CE1-CD1 4.35Å; F81-I201 HydrophobicContact CE1-CG1 4.01Å; F81-M208 HydrophobicContact CB-CB 4.41Å; F81-M208 HydrophobicContact CD2-SD 4.41Å; F81-M208 WeakPolarHBondContact O-CB 3.29Å; F81-M208 PolarHBondContact O-N 2.63Å; F81-L216 HydrophobicContact CB-CD2 3.82Å; F81-L216 HydrophobicContact CD1-CD2 3.74Å; F81-L216 HydrophobicContact CD1-CG 4.38Å; F81-L216 HydrophobicContact CD2-CB 4.33Å; F81-L216 HydrophobicContact CD2-CD2 3.71Å; F81-L216 HydrophobicContact CD2-CG 4.07Å; F81-L216 HydrophobicContact CE1-CD2 4.19Å; F81-L216 HydrophobicContact CE1-CG 4.35Å; F81-L216 HydrophobicContact CE2-CB 4.31Å; F81-L216 HydrophobicContact CE2-CD2 4.15Å; F81-L216 HydrophobicContact CE2-CG 4.03Å; F81-L216 WeakPolarHBondContact CE2-O 3.42Å; F81-L216 HydrophobicContact CG-CD2 3.48Å; F81-L216 VanDerWaalsContact CG-CD2 3.48Å; F81-L216 HydrophobicContact CG-CG 4.25Å; F81-L216 HydrophobicContact CZ-CD2 4.37Å; F81-L216 HydrophobicContact CZ-CG 4.17Å; F81-T218 HydrophobicContact CE1-CG2 3.75Å; F81-T218 HydrophobicContact CZ-CG2 3.85Å; F81-P232 HydrophobicContact CE2-CB 4.49Å; F81-P232 HydrophobicContact CZ-CB 3.95Å
82	Q	98.9	Very high	98.8	Very high	69 Å²	69	33.9 Å²	33.9	32%	0.322	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	61.4	-172	-63.1	-70.5	-67.2	0	0	110.8	Q78 Y79 Y207 D209 L298	Q78-Q82 WeakPolarHBondContact O-CA 3.45Å; Q78-Q82 PolarHBondContact O-N 3.13Å; Y79-Q82 PolarHBondContact O-N 2.78Å; Y79-Q82 VanDerWaalsContact O-N 3.13Å; Y79-Q82 PolarHBondContact O-NE2 2.89Å; Q82-Y207 HydrophobicContact CB-CD1 4.16Å; Q82-Y207 HydrophobicContact CG-CD1 3.99Å; Q82-D209 PolarHBondContact O-N 2.95Å; Q82-L298 HydrophobicContact CG-CD1 4.08Å
83	T	98.9	Very high	98.8	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.037	16%	0.157	C	C	.	.			trans	-138.1	144.3	-174.5	170.3	0	0	0	0	111.4	Q78 F81 N85 M208 D209	Q78-T83 HydrophobicContact CB-CG2 4.33Å; Q78-T83 WeakPolarHBondContact CB-O 3.4Å; Q78-T83 HydrophobicContact CG-CG2 4.26Å; Q78-T83 PolarHBondContact O-N 2.94Å; F81-T83 HydrophobicContact CB-CG2 3.54Å; T83-N85 WeakPolarHBondContact OG1-CB 3.42Å; T83-N85 VanDerWaalsContact OG1-CG 3.25Å; T83-N85 PolarHBondContact OG1-N 2.93Å; T83-N85 PolarHBondContact OG1-ND2 3.47Å; T83-M208 HydrophobicContact CG2-SD 4Å; T83-D209 WeakPolarHBondContact CA-OD2 3.05Å; T83-D209 PolarHBondContact OG1-OD1 2.97Å
84	Q	98.8	Very high	98.8	Very high	160 Å²	160	34 Å²	34	75%	0.748	17%	0.174	S	C	*	.			trans	-99.9	7	170	-61.8	-67.2	8.3	0	0	112.8	R86 D209	Q84-R86 PolarHBondContact O-N 3.26Å; Q84-D209 PolarHBondContact N-OD2 3.11Å
85	N	98.9	Very high	98.7	Very high	23 Å²	23	33.1 Å²	33.1	12%	0.123	17%	0.172	C	C	.	.			trans	-61	126.3	-178.1	-70.2	-47.1	0	0	0	111.7	Q78 T83 T88 M208 D209 S234 F235 S236	Q78-N85 PolarHBondContact NE2-O 3.48Å; T83-N85 WeakPolarHBondContact OG1-CB 3.42Å; T83-N85 VanDerWaalsContact OG1-CG 3.25Å; T83-N85 PolarHBondContact OG1-N 2.93Å; T83-N85 PolarHBondContact OG1-ND2 3.47Å; N85-T88 PolarHBondContact O-OG1 3.03Å; N85-M208 WeakPolarHBondContact ND2-CE 3.49Å; N85-D209 PolarHBondContact ND2-OD1 2.7Å; N85-D209 VanDerWaalsContact ND2-OD1 3.16Å; N85-S234 WeakPolarHBondContact CB-OG 3.41Å; N85-F235 WeakPolarHBondContact CB-O 3.5Å; N85-S236 WeakPolarHBondContact OD1-CA 3.47Å
86	R	98.1	Very high	98.7	Very high	110 Å²	110	33.1 Å²	33.1	42%	0.415	17%	0.165	S	C	.	.	S	Bend	trans	-66.5	-38.1	178.4	-176.3	-176.3	176.3	-175.3	4.5	112.1	Q84 T88 C266 D267 D268	Q84-R86 PolarHBondContact O-N 3.26Å; R86-T88 PolarHBondContact O-N 3.26Å; R86-C266 WeakPolarHBondContact CD-O 3.5Å; R86-C266 PolarHBondContact NE-O 3.21Å; R86-C266 PolarHBondContact O-SG 3.26Å; R86-D267 PolarHBondContact NH2-O 2.84Å; R86-D268 IonicContact CZ-OD1 3.34Å; R86-D268 IonicContact CZ-OD2 3.08Å; R86-D268 IonicContact NH1-OD1 3.94Å; R86-D268 PolarHBondContact NH1-OD1 3.09Å; R86-D268 IonicContact NH1-OD2 2.71Å; R86-D268 PolarHBondContact NH1-OD2 3.34Å; R86-D268 VanDerWaalsContact NH2-CG 3.29Å; R86-D268 VanDerWaalsContact NH2-N 3.15Å; R86-D268 IonicContact NH2-OD1 2.79Å; R86-D268 PolarHBondContact NH2-OD1 3.03Å; R86-D268 IonicContact NH2-OD2 3.88Å
87	T	98.7	Very high	98.7	Very high	14 Å²	14	33.8 Å²	33.8	9%	0.086	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	69.2	177.7	-50.7	0	0	0	0	110	F89 S234 F235 C240 L257	T87-F89 HydrophobicContact CG2-CE1 4.17Å; T87-S234 WeakPolarHBondContact O-CA 3.46Å; T87-F235 HydrophobicContact CG2-CB 4.1Å; T87-F235 HydrophobicContact CG2-CD2 4.06Å; T87-F235 HydrophobicContact CG2-CG 4.4Å; T87-F235 PolarHBondContact O-N 3.39Å; T87-C240 PolarHBondContact OG1-SG 2.94Å; T87-L257 HydrophobicContact CG2-CD1 3.96Å; T87-L257 HydrophobicContact CG2-CD2 4.34Å; T87-L257 HydrophobicContact CG2-CG 4.4Å
88	T	98.9	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.5	176.8	-62.3	0	0	0	0	108.4	K74 I77 Q78 N85 R86 I233 S234	K74-T88 WeakPolarHBondContact CE-O 3.38Å; K74-T88 VanDerWaalsContact CG-O 3.3Å; K74-T88 WeakPolarHBondContact CG-O 3.23Å; I77-T88 HydrophobicContact CB-CG2 3.64Å; I77-T88 HydrophobicContact CG2-CG2 3.3Å; Q78-T88 HydrophobicContact CG-CG2 3.98Å; N85-T88 PolarHBondContact O-OG1 3.03Å; R86-T88 PolarHBondContact O-N 3.26Å; T88-I233 WeakPolarHBondContact CA-O 3.33Å; T88-S234 PolarHBondContact OG1-OG 2.85Å; T88-S234 VanDerWaalsContact OG1-OG 3.13Å
89	F	98.8	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	178.2	-177.6	59.9	-86.2	0	0	0	112.3	T87 V91 P232 I233 F235 L257 L260 W264	T87-F89 HydrophobicContact CG2-CE1 4.17Å; F89-V91 HydrophobicContact CD2-CG2 4.46Å; F89-V91 HydrophobicContact CE2-CG2 3.85Å; F89-P232 WeakPolarHBondContact O-CA 3.47Å; F89-I233 HydrophobicContact CD1-CG2 4.23Å; F89-I233 HydrophobicContact CD2-CG2 3.9Å; F89-I233 HydrophobicContact CE1-CG2 3.9Å; F89-I233 HydrophobicContact CE2-CG2 3.55Å; F89-I233 HydrophobicContact CG-CG2 4.23Å; F89-I233 HydrophobicContact CZ-CG2 3.55Å; F89-I233 PolarHBondContact N-O 3.43Å; F89-I233 PolarHBondContact O-N 3.04Å; F89-I233 VanDerWaalsContact O-O 3.09Å; F89-F235 HydrophobicContact CE1-CD2 4.23Å; F89-F235 HydrophobicContact CE1-CE2 4.03Å; F89-F235 HydrophobicContact CZ-CE2 4.1Å; F89-L257 HydrophobicContact CE1-CD1 3.51Å; F89-L257 HydrophobicContact CZ-CD1 3.62Å; F89-L260 HydrophobicContact CE2-CB 4.08Å; F89-L260 HydrophobicContact CE2-CD1 3.93Å; F89-L260 HydrophobicContact CE2-CG 4.46Å; F89-L260 HydrophobicContact CZ-CB 4.08Å; F89-L260 HydrophobicContact CZ-CD1 4.13Å; F89-W264 HydrophobicContact CB-CB 3.8Å; F89-W264 HydrophobicContact CB-CD2 3.44Å; F89-W264 VanDerWaalsContact CB-CD2 3.44Å; F89-W264 HydrophobicContact CB-CE3 3.83Å; F89-W264 HydrophobicContact CB-CG 3.41Å; F89-W264 VanDerWaalsContact CB-CG 3.41Å; F89-W264 AromaticContact CD2-CD1 3.87Å; F89-W264 HydrophobicContact CD2-CG 4.38Å; F89-W264 AromaticContact CD2-NE1 3.89Å; F89-W264 HydrophobicContact CG-CB 4.45Å; F89-W264 AromaticContact CG-CD1 3.98Å; F89-W264 HydrophobicContact CG-CD2 4.43Å; F89-W264 HydrophobicContact CG-CG 4.07Å
90	A	98.6	Very high	98.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.9	171.3	0	0	0	0	0	111.3	I73 I77 W264 L286	I73-A90 HydrophobicContact CG2-CB 4.19Å; I77-A90 HydrophobicContact CD1-CB 4.3Å; A90-W264 HydrophobicContact CB-CH2 3.73Å; A90-W264 HydrophobicContact CB-CZ2 3.85Å; A90-W264 WeakPolarHBondContact O-CZ2 3.34Å; A90-W264 PolarHBondContact O-NE1 3.24Å; A90-L286 HydrophobicContact CB-CD2 3.55Å
91	V	98.6	Very high	98.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.5	171.9	-172.7	0	0	0	0	109.1	F89 G93 T97 A98 C101 T230 A231 I233 L255	F89-V91 HydrophobicContact CD2-CG2 4.46Å; F89-V91 HydrophobicContact CE2-CG2 3.85Å; V91-G93 PolarHBondContact O-N 3.47Å; V91-T97 HydrophobicContact CG1-CG2 3.57Å; V91-A98 HydrophobicContact CG2-CB 4.16Å; V91-C101 HydrophobicContact CG2-CB 4.24Å; V91-T230 WeakPolarHBondContact O-CA 3.18Å; V91-A231 HydrophobicContact CB-CB 4.4Å; V91-A231 PolarHBondContact N-O 3.47Å; V91-A231 PolarHBondContact O-N 3.16Å; V91-A231 VanDerWaalsContact O-N 3.08Å; V91-I233 HydrophobicContact CG2-CB 4.26Å; V91-I233 HydrophobicContact CG2-CG2 3.55Å; V91-L255 HydrophobicContact CG1-CD2 3.98Å
92	S	98.6	Very high	98.7	Very high	21 Å²	21	30.7 Å²	30.7	15%	0.147	16%	0.155	C	C	.	.	S	Bend	trans	-74.5	68.4	174.8	-61.6	0	0	0	0	111	H276 P279	S92-H276 WeakPolarHBondContact CB-NE2 3.33Å; S92-H276 PolarHBondContact OG-NE2 3.2Å; S92-P279 WeakPolarHBondContact OG-CD 3.42Å
93	G	98.4	Very high	98.7	Very high	12 Å²	12	27.6 Å²	27.6	12%	0.124	14%	0.14	C	C	.	.	S	Bend	trans	178	-171.7	-178	0	0	0	0	0	112.5	V91 G229 T230 A231	V91-G93 PolarHBondContact O-N 3.47Å; G93-G229 CarbonylContact C-O 3.58Å; G93-G229 PolarHBondContact N-O 3.16Å; G93-G229 CarbonylContact O-C 3.57Å; G93-T230 CarbonylContact O-C 2.95Å; G93-T230 WeakPolarHBondContact O-CA 3.45Å; G93-T230 PolarHBondContact O-N 2.79Å; G93-T230 VanDerWaalsContact O-N 3.1Å; G93-A231 PolarHBondContact O-N 2.94Å
94	T	98.3	Very high	98.7	Very high	58 Å²	58	28.5 Å²	28.5	36%	0.356	14%	0.143	S	C	.	.			trans	-88.9	-178.6	-179.7	70.8	0	0	0	0	111.3	H96 T97 A98 A231	T94-H96 PolarHBondContact O-N 3.31Å; T94-H96 VanDerWaalsContact O-N 3.16Å; T94-T97 PolarHBondContact N-OG1 2.88Å; T94-T97 WeakPolarHBondContact O-CA 3.25Å; T94-T97 WeakPolarHBondContact O-CB 3.42Å; T94-T97 PolarHBondContact O-N 2.93Å; T94-T97 PolarHBondContact O-OG1 3.39Å; T94-A98 PolarHBondContact O-N 2.86Å; T94-A231 WeakPolarHBondContact O-CB 3.47Å
95	G	98	Very high	98.7	Very high	8 Å²	8	20.9 Å²	20.9	8%	0.082	11%	0.108	C	C	.	.	H	α-helix	trans	-53.3	-36	179.6	0	0	0	0	0	114.7	T97 A98 M99	G95-T97 VanDerWaalsContact C-N 3.27Å; G95-T97 PolarHBondContact O-N 3.42Å; G95-A98 PolarHBondContact O-N 2.74Å; G95-M99 PolarHBondContact O-N 2.91Å
96	H	98.6	Very high	98.7	Very high	68 Å²	68	19.8 Å²	19.8	32%	0.315	10%	0.102	S	C	.	.	H	α-helix	trans	-64.5	-32.7	174.6	-73.3	88.5	0	0	0	112.3	T94 A98 M99 E100 W121 M128	T94-H96 PolarHBondContact O-N 3.31Å; T94-H96 VanDerWaalsContact O-N 3.16Å; H96-A98 VanDerWaalsContact C-N 3.31Å; H96-A98 PolarHBondContact O-N 2.94Å; H96-M99 WeakPolarHBondContact O-CB 3.32Å; H96-M99 PolarHBondContact O-N 3.15Å; H96-E100 WeakPolarHBondContact O-CG 3.31Å; H96-E100 PolarHBondContact O-N 3.12Å; H96-W121 AromaticContact CE1-CZ3 3.62Å; H96-W121 AromaticContact NE2-CZ3 3.77Å; H96-M128 HydrophobicContact CB-CE 4.01Å
97	T	98.7	Very high	98.7	Very high	28 Å²	28	14.6 Å²	14.6	17%	0.172	8%	0.083	C	C	.	.	H	α-helix	trans	-67	-34.4	176.1	-45.8	0	0	0	0	111.2	V91 T94 G95 C101 L255	V91-T97 HydrophobicContact CG1-CG2 3.57Å; T94-T97 PolarHBondContact N-OG1 2.88Å; T94-T97 WeakPolarHBondContact O-CA 3.25Å; T94-T97 WeakPolarHBondContact O-CB 3.42Å; T94-T97 PolarHBondContact O-N 2.93Å; T94-T97 PolarHBondContact O-OG1 3.39Å; G95-T97 VanDerWaalsContact C-N 3.27Å; G95-T97 PolarHBondContact O-N 3.42Å; T97-C101 VanDerWaalsContact O-CB 3.28Å; T97-C101 WeakPolarHBondContact O-CB 3.45Å; T97-C101 PolarHBondContact O-N 3.23Å; T97-L255 HydrophobicContact CG2-CD1 4.43Å; T97-L255 HydrophobicContact CG2-CD2 3.59Å
98	A	98.8	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-72.4	-37.6	172.6	0	0	0	0	0	112.6	V91 T94 G95 H96 C101 A102 Y217 A231 I233	V91-A98 HydrophobicContact CG2-CB 4.16Å; T94-A98 PolarHBondContact O-N 2.86Å; G95-A98 PolarHBondContact O-N 2.74Å; H96-A98 VanDerWaalsContact C-N 3.31Å; H96-A98 PolarHBondContact O-N 2.94Å; A98-C101 WeakPolarHBondContact O-CB 3.39Å; A98-C101 PolarHBondContact O-N 3.1Å; A98-A102 PolarHBondContact O-N 3.31Å; A98-Y217 HydrophobicContact CB-CD2 3.81Å; A98-Y217 HydrophobicContact CB-CG 3.9Å; A98-A231 HydrophobicContact CB-CB 3.64Å; A98-I233 HydrophobicContact CB-CD1 4.37Å
99	M	98.9	Very high	98.7	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-59.7	-46.9	171.9	-169.3	-170	-73.6	0	0	111.2	G95 H96 A102 I103 R124 A125 M128 F165 Y217	G95-M99 PolarHBondContact O-N 2.91Å; H96-M99 WeakPolarHBondContact O-CB 3.32Å; H96-M99 PolarHBondContact O-N 3.15Å; M99-A102 PolarHBondContact O-N 2.69Å; M99-I103 HydrophobicContact CG-CD1 3.96Å; M99-I103 WeakPolarHBondContact O-CG1 3.5Å; M99-I103 PolarHBondContact O-N 2.96Å; M99-R124 HydrophobicContact CE-CB 4.42Å; M99-R124 HydrophobicContact SD-CB 4.2Å; M99-A125 HydrophobicContact SD-CB 4Å; M99-M128 HydrophobicContact CB-SD 4.02Å; M99-M128 HydrophobicContact CG-SD 3.7Å; M99-M128 HydrophobicContact SD-CE 4.12Å; M99-M128 HydrophobicContact SD-SD 3.4Å; M99-F165 HydrophobicContact CE-CE2 4.07Å; M99-F165 HydrophobicContact CE-CZ 3.95Å; M99-F165 HydrophobicContact CG-CE2 4.41Å; M99-Y217 HydrophobicContact CB-CE1 4.28Å; M99-Y217 HydrophobicContact CB-CE2 4.28Å; M99-Y217 WeakPolarHBondContact CE-OH 3.44Å; M99-Y217 HydrophobicContact CG-CE1 4.46Å
100	E	98.9	Very high	98.6	Very high	64 Å²	64	20.9 Å²	20.9	30%	0.299	13%	0.129	S	C	.	.	H	α-helix	trans	-62.1	-43.4	173.3	-73.9	-174.2	164.5	0	0	111.8	H96 A102 I103 F104 M128 L255	H96-E100 WeakPolarHBondContact O-CG 3.31Å; H96-E100 PolarHBondContact O-N 3.12Å; E100-A102 VanDerWaalsContact C-N 3.31Å; E100-A102 PolarHBondContact O-N 3.13Å; E100-I103 PolarHBondContact O-N 3.48Å; E100-F104 HydrophobicContact CB-CD2 4.14Å; E100-F104 HydrophobicContact CB-CE1 4.27Å; E100-F104 HydrophobicContact CB-CE2 3.87Å; E100-F104 HydrophobicContact CB-CG 4.46Å; E100-F104 HydrophobicContact CB-CZ 3.94Å; E100-F104 HydrophobicContact CG-CE1 4.14Å; E100-F104 HydrophobicContact CG-CE2 4.04Å; E100-F104 HydrophobicContact CG-CZ 3.69Å; E100-F104 WeakPolarHBondContact O-CB 3.31Å; E100-F104 WeakPolarHBondContact O-CG 3.43Å; E100-F104 PolarHBondContact O-N 3.34Å; E100-M128 HydrophobicContact CG-CE 3.7Å; E100-M128 HydrophobicContact CG-CG 4.28Å; E100-M128 HydrophobicContact CG-SD 3.61Å; E100-L255 HydrophobicContact CB-CD1 3.69Å
101	C	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.1	-44.5	177	-175.9	0	0	0	0	111.2	V91 T97 A98 N105 I233 L255	V91-C101 HydrophobicContact CG2-CB 4.24Å; T97-C101 VanDerWaalsContact O-CB 3.28Å; T97-C101 WeakPolarHBondContact O-CB 3.45Å; T97-C101 PolarHBondContact O-N 3.23Å; A98-C101 WeakPolarHBondContact O-CB 3.39Å; A98-C101 PolarHBondContact O-N 3.1Å; C101-N105 WeakPolarHBondContact O-CB 3.4Å; C101-N105 PolarHBondContact O-N 3.02Å; C101-N105 PolarHBondContact O-ND2 3.18Å; C101-I233 HydrophobicContact CB-CD1 4.36Å; C101-L255 HydrophobicContact CB-CB 4.35Å; C101-L255 HydrophobicContact CB-CD2 4.39Å
102	A	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-52.5	175.4	0	0	0	0	0	112.1	A98 M99 E100 T106 L194 I215 I233	A98-A102 PolarHBondContact O-N 3.31Å; M99-A102 PolarHBondContact O-N 2.69Å; E100-A102 VanDerWaalsContact C-N 3.31Å; E100-A102 PolarHBondContact O-N 3.13Å; A102-T106 WeakPolarHBondContact O-CB 3.36Å; A102-T106 PolarHBondContact O-N 3.5Å; A102-T106 VanDerWaalsContact O-N 3.09Å; A102-T106 PolarHBondContact O-OG1 3.42Å; A102-L194 HydrophobicContact CB-CD1 3.63Å; A102-L194 HydrophobicContact CB-CD2 3.82Å; A102-L194 HydrophobicContact CB-CG 4.41Å; A102-I215 HydrophobicContact CB-CG2 3.83Å; A102-I233 HydrophobicContact CB-CD1 4.19Å
103	I	98.9	Very high	98.7	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-69	-49	-173.8	-66.6	170.7	0	0	0	111.3	M99 E100 N105 T106 V107 A125 M128 A129 V132 L194	M99-I103 HydrophobicContact CG-CD1 3.96Å; M99-I103 WeakPolarHBondContact O-CG1 3.5Å; M99-I103 PolarHBondContact O-N 2.96Å; E100-I103 PolarHBondContact O-N 3.48Å; I103-N105 PolarHBondContact O-N 2.72Å; I103-T106 PolarHBondContact O-N 2.85Å; I103-T106 VanDerWaalsContact O-N 3.14Å; I103-V107 HydrophobicContact CG2-CG2 4.31Å; I103-V107 WeakPolarHBondContact O-CB 3.27Å; I103-V107 PolarHBondContact O-N 2.92Å; I103-A125 HydrophobicContact CD1-CB 4.35Å; I103-M128 HydrophobicContact CD1-CB 3.8Å; I103-M128 HydrophobicContact CD1-SD 4.45Å; I103-A129 HydrophobicContact CG2-CB 4.2Å; I103-V132 HydrophobicContact CG2-CG2 4.03Å; I103-L194 HydrophobicContact CG1-CD2 4.06Å
104	F	98.8	Very high	98.7	Very high	25 Å²	25	21.6 Å²	21.6	11%	0.11	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-28.1	-173.7	-66.2	1.4	0	0	0	112.7	E100 V132 V251 L255	E100-F104 HydrophobicContact CB-CD2 4.14Å; E100-F104 HydrophobicContact CB-CE1 4.27Å; E100-F104 HydrophobicContact CB-CE2 3.87Å; E100-F104 HydrophobicContact CB-CG 4.46Å; E100-F104 HydrophobicContact CB-CZ 3.94Å; E100-F104 HydrophobicContact CG-CE1 4.14Å; E100-F104 HydrophobicContact CG-CE2 4.04Å; E100-F104 HydrophobicContact CG-CZ 3.69Å; E100-F104 WeakPolarHBondContact O-CB 3.31Å; E100-F104 WeakPolarHBondContact O-CG 3.43Å; E100-F104 PolarHBondContact O-N 3.34Å; F104-V132 HydrophobicContact CD1-CG1 3.31Å; F104-V132 HydrophobicContact CE1-CG1 3.49Å; F104-V132 VanDerWaalsContact CE1-CG1 3.49Å; F104-V132 HydrophobicContact CG-CG1 4.12Å; F104-V132 HydrophobicContact CZ-CG1 4.41Å; F104-V251 HydrophobicContact CB-CG2 4.1Å; F104-V251 HydrophobicContact CD1-CG2 4.25Å; F104-V251 HydrophobicContact CD2-CG2 3.58Å; F104-V251 HydrophobicContact CE2-CG2 3.99Å; F104-V251 HydrophobicContact CG-CG2 3.72Å; F104-V251 HydrophobicContact CZ-CG2 4.48Å; F104-L255 HydrophobicContact CD2-CD1 4.14Å; F104-L255 HydrophobicContact CE2-CD1 4.41Å
105	N	98.8	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-88	-26.5	175.1	-73	-82.6	0	0	0	113	C101 I103 V243 R246 P250 L255 L257	C101-N105 WeakPolarHBondContact O-CB 3.4Å; C101-N105 PolarHBondContact O-N 3.02Å; C101-N105 PolarHBondContact O-ND2 3.18Å; I103-N105 PolarHBondContact O-N 2.72Å; N105-V243 HydrophobicContact CB-CG1 3.88Å; N105-V243 HydrophobicContact CB-CG2 4.09Å; N105-V243 WeakPolarHBondContact O-CG2 3.2Å; N105-R246 VanDerWaalsContact C-NH1 3.33Å; N105-R246 WeakPolarHBondContact O-CD 3.46Å; N105-R246 PolarHBondContact O-NE 3.5Å; N105-R246 PolarHBondContact O-NH1 2.99Å; N105-P250 WeakPolarHBondContact OD1-CG 3.42Å; N105-L255 PolarHBondContact ND2-O 2.85Å; N105-L257 HydrophobicContact CB-CB 4.35Å; N105-L257 WeakPolarHBondContact OD1-CB 3.22Å; N105-L257 PolarHBondContact OD1-N 2.95Å
106	T	98.6	Very high	98.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-95.7	-27.4	-172.1	-50.6	0	0	0	0	113.1	A102 I103 L163 L192 I215 K242 R246	A102-T106 WeakPolarHBondContact O-CB 3.36Å; A102-T106 PolarHBondContact O-N 3.5Å; A102-T106 VanDerWaalsContact O-N 3.09Å; A102-T106 PolarHBondContact O-OG1 3.42Å; I103-T106 PolarHBondContact O-N 2.85Å; I103-T106 VanDerWaalsContact O-N 3.14Å; T106-L163 HydrophobicContact CG2-CD1 3.97Å; T106-L163 HydrophobicContact CG2-CD2 4.5Å; T106-L192 HydrophobicContact CG2-CD1 3.42Å; T106-L192 VanDerWaalsContact CG2-CD1 3.42Å; T106-I215 HydrophobicContact CG2-CD1 4.02Å; T106-I215 WeakPolarHBondContact OG1-CD1 3.28Å; T106-K242 HydrophobicContact CG2-CG 4.18Å; T106-K242 VanDerWaalsContact O-CE 3.24Å; T106-K242 WeakPolarHBondContact O-CE 3.29Å; T106-R246 PolarHBondContact O-NH1 3.41Å; T106-R246 VanDerWaalsContact O-NH1 3.15Å
107	V	98.7	Very high	98.7	Very high	1 Å²	1	16 Å²	16	1%	0.006	10%	0.097	C	C	.	.			trans	-111.1	122.2	-171.7	-175.7	0	0	0	0	111.8	I103 E111 V113 V132 A134 L163 R246	I103-V107 HydrophobicContact CG2-CG2 4.31Å; I103-V107 WeakPolarHBondContact O-CB 3.27Å; I103-V107 PolarHBondContact O-N 2.92Å; V107-E111 HydrophobicContact CG1-CB 4.24Å; V107-V113 HydrophobicContact CB-CG2 4.29Å; V107-V113 HydrophobicContact CG1-CG2 3.59Å; V107-V113 HydrophobicContact CG2-CG2 3.64Å; V107-V132 HydrophobicContact CB-CG2 4.44Å; V107-V132 HydrophobicContact CG1-CG2 4.38Å; V107-A134 HydrophobicContact CG1-CB 3.69Å; V107-L163 HydrophobicContact CG2-CB 4.25Å; V107-L163 HydrophobicContact CG2-CD2 3.59Å; V107-R246 VanDerWaalsContact C-NH2 3.29Å; V107-R246 PolarHBondContact O-NH1 3.48Å; V107-R246 PolarHBondContact O-NH2 3.35Å
108	E	98.6	Very high	98.5	Very high	23 Å²	23	14.8 Å²	14.8	11%	0.107	9%	0.089	C	C	.	.			trans	-88.2	155.2	169	-68	-176.7	-99.6	0	0	111.1	G110 E111 K242 R246 T247 T248	E108-G110 PolarHBondContact O-N 3.28Å; E108-E111 HydrophobicContact CB-CG 4.02Å; E108-E111 PolarHBondContact N-OE2 3.16Å; E108-E111 WeakPolarHBondContact O-CB 3.36Å; E108-E111 WeakPolarHBondContact O-CG 3.34Å; E108-E111 PolarHBondContact O-N 3.46Å; E108-K242 IonicContact OE1-NZ 3.48Å; E108-R246 HydrophobicContact CG-CB 4.41Å; E108-R246 HydrophobicContact CG-CG 4.26Å; E108-R246 VanDerWaalsContact CG-NH2 3.26Å; E108-R246 WeakPolarHBondContact OE1-CA 3.14Å; E108-T247 PolarHBondContact OE2-N 3.19Å; E108-T247 PolarHBondContact OE2-OG1 2.86Å; E108-T248 PolarHBondContact OE2-N 3.05Å; E108-T248 PolarHBondContact OE2-OG1 3.39Å
109	S	98.4	Very high	98.4	Very high	95 Å²	95	14.8 Å²	14.8	66%	0.664	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	133.8	177.1	-178.5	0	0	0	0	110.4	E111 V132	S109-E111 VanDerWaalsContact C-N 3.32Å; S109-V132 WeakPolarHBondContact CA-O 3.16Å
110	G	98.3	Very high	98.3	Very high	28 Å²	28	15.3 Å²	15.3	29%	0.289	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	6.7	-174.7	0	0	0	0	0	114.6	E108 G133 R135	E108-G110 PolarHBondContact O-N 3.28Å; G110-G133 PolarHBondContact N-O 2.99Å; G110-R135 PolarHBondContact O-NH1 2.83Å; G110-R135 PolarHBondContact O-NH2 3.31Å
111	E	98.6	Very high	98.3	Very high	37 Å²	37	13.9 Å²	13.9	17%	0.173	8%	0.084	C	C	.	.			trans	-82.8	152.1	169.7	-64.3	-165.6	121.5	0	0	111.7	V107 E108 S109 A134 R135 V162 K242	V107-E111 HydrophobicContact CG1-CB 4.24Å; E108-E111 HydrophobicContact CB-CG 4.02Å; E108-E111 PolarHBondContact N-OE2 3.16Å; E108-E111 WeakPolarHBondContact O-CB 3.36Å; E108-E111 WeakPolarHBondContact O-CG 3.34Å; E108-E111 PolarHBondContact O-N 3.46Å; S109-E111 VanDerWaalsContact C-N 3.32Å; E111-A134 CarbonylContact O-C 3.57Å; E111-A134 WeakPolarHBondContact O-CA 3.37Å; E111-R135 PolarHBondContact O-N 3.02Å; E111-V162 HydrophobicContact CB-CG1 4.24Å; E111-V162 HydrophobicContact CB-CG2 3.83Å; E111-K242 IonicContact OE1-NZ 3.34Å; E111-K242 PolarHBondContact OE1-NZ 3.45Å; E111-K242 WeakPolarHBondContact OE2-CE 3.36Å; E111-K242 IonicContact OE2-NZ 3.2Å; E111-K242 PolarHBondContact OE2-NZ 3.02Å
112	S	98.8	Very high	98.3	Very high	11 Å²	11	13.9 Å²	13.9	8%	0.077	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.9	177.7	-173.6	0	0	0	0	111.1	R135 H159 P161 V162	S112-R135 WeakPolarHBondContact CA-O 3.3Å; S112-R135 PolarHBondContact OG-O 2.93Å; S112-H159 PolarHBondContact OG-O 3.23Å; S112-P161 CarbonylContact O-C 3.57Å; S112-P161 VanDerWaalsContact O-CA 3.29Å; S112-P161 WeakPolarHBondContact O-CA 3.44Å; S112-V162 WeakPolarHBondContact O-CG2 3.47Å; S112-V162 PolarHBondContact O-N 3.34Å
113	V	98.9	Very high	98.3	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.7	175.7	176.3	0	0	0	0	108.4	V107 V115 A129 A134 R135 V136 K137 L163	V107-V113 HydrophobicContact CB-CG2 4.29Å; V107-V113 HydrophobicContact CG1-CG2 3.59Å; V107-V113 HydrophobicContact CG2-CG2 3.64Å; V113-V115 HydrophobicContact CG1-CG2 3.93Å; V113-A129 HydrophobicContact CB-CB 4.39Å; V113-A129 HydrophobicContact CG1-CB 4.18Å; V113-A129 HydrophobicContact CG2-CB 4.43Å; V113-A134 HydrophobicContact CB-CB 4.38Å; V113-A134 HydrophobicContact CG2-CB 3.79Å; V113-R135 PolarHBondContact N-O 3.34Å; V113-R135 VanDerWaalsContact N-O 3.08Å; V113-V136 CarbonylContact O-C 3.59Å; V113-V136 WeakPolarHBondContact O-CA 3.24Å; V113-K137 PolarHBondContact O-N 2.82Å; V113-L163 WeakPolarHBondContact CA-O 3.29Å; V113-L163 HydrophobicContact CG1-CB 4.49Å; V113-L163 HydrophobicContact CG2-CB 4.4Å
114	L	98.9	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138	172.8	-177.8	65.1	0	0	0	109.2	K137 I139 A155 L156 P161 L163 F164 F165	L114-K137 CarbonylContact C-O 3.51Å; L114-K137 WeakPolarHBondContact CA-O 3.43Å; L114-K137 HydrophobicContact CD1-CB 3.99Å; L114-I139 HydrophobicContact CD1-CG1 4.37Å; L114-I139 HydrophobicContact CD1-CG2 4.3Å; L114-I139 HydrophobicContact CD2-CD1 4.37Å; L114-A155 HydrophobicContact CD1-CB 4.14Å; L114-A155 HydrophobicContact CD2-CB 3.8Å; L114-L156 HydrophobicContact CD2-CD2 3.96Å; L114-L156 HydrophobicContact CD2-CG 4.24Å; L114-P161 HydrophobicContact CB-CB 3.71Å; L114-P161 HydrophobicContact CB-CG 3.57Å; L114-P161 HydrophobicContact CD2-CG 4.22Å; L114-L163 PolarHBondContact N-O 2.94Å; L114-F164 HydrophobicContact CB-CD2 3.91Å; L114-F164 HydrophobicContact CD2-CD2 3.76Å; L114-F164 HydrophobicContact CD2-CE2 4.08Å; L114-F164 HydrophobicContact CD2-CG 4.44Å; L114-F164 HydrophobicContact CG-CD2 3.64Å; L114-F164 HydrophobicContact CG-CE2 4Å; L114-F164 CarbonylContact O-C 3.54Å; L114-F164 VanDerWaalsContact O-CA 3.3Å; L114-F164 WeakPolarHBondContact O-CA 3.39Å; L114-F164 WeakPolarHBondContact O-CD2 3.3Å; L114-F165 PolarHBondContact O-N 3.43Å
115	V	98.9	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.5	-177	-177.1	0	0	0	0	109.8	V113 V117 G122 A125 A126 V136 K137 T138 I139 F165	V113-V115 HydrophobicContact CG1-CG2 3.93Å; V115-V117 HydrophobicContact CG1-CG2 4.04Å; V115-G122 VanDerWaalsContact CG1-O 3.26Å; V115-G122 WeakPolarHBondContact CG1-O 3.27Å; V115-A125 HydrophobicContact CG1-CB 4.18Å; V115-A126 HydrophobicContact CG1-CB 4.38Å; V115-A126 HydrophobicContact CG2-CB 4.38Å; V115-V136 HydrophobicContact CG2-CG1 4.05Å; V115-K137 PolarHBondContact N-O 3.2Å; V115-T138 HydrophobicContact CB-CG2 4.34Å; V115-T138 WeakPolarHBondContact O-CA 3.45Å; V115-I139 PolarHBondContact O-N 2.84Å; V115-F165 HydrophobicContact CG1-CB 4.35Å; V115-F165 HydrophobicContact CG1-CD1 3.85Å; V115-F165 HydrophobicContact CG1-CG 4.46Å; V115-F165 HydrophobicContact CG2-CB 4.37Å
116	A	98.4	Very high	98.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122.4	165.8	0	0	0	0	0	110.3	G122 I139 L147 F164 F165 L166	A116-G122 WeakPolarHBondContact O-CA 3.43Å; A116-I139 HydrophobicContact CB-CG1 4.46Å; A116-L147 HydrophobicContact CB-CD1 3.42Å; A116-L147 VanDerWaalsContact CB-CD1 3.42Å; A116-F164 HydrophobicContact CB-CE2 3.92Å; A116-F164 HydrophobicContact CB-CZ 3.96Å; A116-F165 WeakPolarHBondContact CB-O 3.41Å; A116-F165 PolarHBondContact N-O 2.95Å; A116-L166 HydrophobicContact CB-CB 4.48Å; A116-L166 HydrophobicContact CB-CD1 3.9Å; A116-L166 HydrophobicContact CB-CG 4.39Å
117	V	97.8	Very high	98.3	Very high	16 Å²	16	24.8 Å²	24.8	10%	0.097	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	91.6	178.7	-174.5	0	0	0	0	109.2	V115 E123 T138 I139 V140 A141	V115-V117 HydrophobicContact CG1-CG2 4.04Å; V117-E123 HydrophobicContact CG1-CG 3.97Å; V117-T138 HydrophobicContact CG2-CG2 3.78Å; V117-I139 PolarHBondContact N-O 2.96Å; V117-V140 HydrophobicContact CB-CG2 4.27Å; V117-V140 WeakPolarHBondContact O-CA 3.44Å; V117-A141 PolarHBondContact O-N 3.23Å
118	N	94.1	Very high	98.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.011	14%	0.138	C	C	.	.	S	Bend	trans	-114.1	11.3	170.7	65.2	-25.2	0	0	0	112.3	A141 T173	N118-A141 HydrophobicContact CB-CB 3.87Å; N118-T173 VanDerWaalsContact O-CG2 3.31Å; N118-T173 WeakPolarHBondContact O-CG2 3.46Å
119	G	96.8	Very high	98.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	13%	0.133	C	C	.	.	S	Bend	trans	174.8	-169.5	-179.1	0	0	0	0	0	111.9	W121 S172	G119-W121 VanDerWaalsContact C-N 3.27Å; G119-W121 PolarHBondContact O-N 3.27Å; G119-S172 WeakPolarHBondContact CA-OG 3.36Å
120	I	97.9	Very high	98.3	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.062	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-26.2	-174.2	-165.2	173.5	0	0	0	113	E123 R124 S172 L365	I120-E123 WeakPolarHBondContact O-CB 3.42Å; I120-E123 PolarHBondContact O-N 3.48Å; I120-R124 HydrophobicContact CG1-CG 4.42Å; I120-R124 WeakPolarHBondContact O-CG 3.33Å; I120-R124 PolarHBondContact O-N 3.34Å; I120-S172 PolarHBondContact N-OG 3.34Å; I120-L365 HydrophobicContact CD1-CD1 3.92Å; I120-L365 HydrophobicContact CD1-CD2 4.27Å; I120-L365 HydrophobicContact CD1-CG 3.75Å; I120-L365 HydrophobicContact CG2-CD2 3.93Å; I120-L365 HydrophobicContact CG2-CG 4.12Å
121	W	98.5	Very high	98.3	Very high	35 Å²	35	32.8 Å²	32.8	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-71.7	-35.2	-175	-54.8	135.6	0	0	0	112.3	H96 G119 R124 A125 F165 A167 E170 S171 L365	H96-W121 AromaticContact CE1-CZ3 3.62Å; H96-W121 AromaticContact NE2-CZ3 3.77Å; G119-W121 VanDerWaalsContact C-N 3.27Å; G119-W121 PolarHBondContact O-N 3.27Å; W121-R124 HydrophobicContact CE3-CG 4.49Å; W121-R124 PolarHBondContact O-N 3.46Å; W121-A125 PolarHBondContact O-N 3Å; W121-F165 HydrophobicContact CB-CZ 4.49Å; W121-A167 HydrophobicContact CB-CB 4.18Å; W121-E170 WeakPolarHBondContact CB-OE2 3.45Å; W121-E170 VanDerWaalsContact CD1-CD 3.42Å; W121-S171 WeakPolarHBondContact CZ2-OG 3.18Å; W121-S171 PolarHBondContact NE1-OG 3.22Å; W121-S171 VanDerWaalsContact NE1-OG 3.1Å; W121-L365 HydrophobicContact CH2-CD2 4.17Å; W121-L365 HydrophobicContact CZ2-CD2 4.32Å
122	G	98.4	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-43.4	167.7	0	0	0	0	0	112.3	V115 A116 R124 A125 A126	V115-G122 VanDerWaalsContact CG1-O 3.26Å; V115-G122 WeakPolarHBondContact CG1-O 3.27Å; A116-G122 WeakPolarHBondContact O-CA 3.43Å; G122-R124 VanDerWaalsContact C-N 3.27Å; G122-R124 PolarHBondContact O-N 2.84Å; G122-A125 PolarHBondContact O-N 2.59Å; G122-A126 WeakPolarHBondContact O-CB 3.3Å; G122-A126 PolarHBondContact O-N 3.48Å
123	E	98.3	Very high	98.3	Very high	88 Å²	88	32.8 Å²	32.8	41%	0.411	16%	0.155	S	C	.	.	H	α-helix	trans	-58.8	-39.7	175.8	-61	172.8	173.8	0	0	111.7	V117 I120 D127	V117-E123 HydrophobicContact CG1-CG 3.97Å; I120-E123 WeakPolarHBondContact O-CB 3.42Å; I120-E123 PolarHBondContact O-N 3.48Å; E123-D127 PolarHBondContact O-N 2.89Å
124	R	98.7	Very high	98.3	Very high	108 Å²	108	33.2 Å²	33.2	41%	0.408	16%	0.159	S	C	.	.	H	α-helix	trans	-69.2	-43.1	177.2	-66.4	-61.9	179	-178.8	-1.1	112.9	M99 I120 W121 G122 A126 D127 M128	M99-R124 HydrophobicContact CE-CB 4.42Å; M99-R124 HydrophobicContact SD-CB 4.2Å; I120-R124 HydrophobicContact CG1-CG 4.42Å; I120-R124 WeakPolarHBondContact O-CG 3.33Å; I120-R124 PolarHBondContact O-N 3.34Å; W121-R124 HydrophobicContact CE3-CG 4.49Å; W121-R124 PolarHBondContact O-N 3.46Å; G122-R124 VanDerWaalsContact C-N 3.27Å; G122-R124 PolarHBondContact O-N 2.84Å; R124-A126 VanDerWaalsContact C-N 3.31Å; R124-A126 PolarHBondContact O-N 2.94Å; R124-D127 PolarHBondContact O-N 3.03Å; R124-M128 WeakPolarHBondContact O-CB 3.45Å; R124-M128 VanDerWaalsContact O-CG 3.31Å; R124-M128 WeakPolarHBondContact O-CG 3.49Å; R124-M128 PolarHBondContact O-N 3.39Å
125	A	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-39.7	176.5	0	0	0	0	0	111.7	M99 I103 V115 W121 G122 A129 F165	M99-A125 HydrophobicContact SD-CB 4Å; I103-A125 HydrophobicContact CD1-CB 4.35Å; V115-A125 HydrophobicContact CG1-CB 4.18Å; W121-A125 PolarHBondContact O-N 3Å; G122-A125 PolarHBondContact O-N 2.59Å; A125-A129 WeakPolarHBondContact O-CB 3.08Å; A125-A129 PolarHBondContact O-N 2.89Å; A125-F165 HydrophobicContact CB-CB 4.22Å; A125-F165 HydrophobicContact CB-CD1 3.5Å; A125-F165 VanDerWaalsContact CB-CD1 3.5Å; A125-F165 HydrophobicContact CB-CD2 3.62Å; A125-F165 HydrophobicContact CB-CE1 3.66Å; A125-F165 HydrophobicContact CB-CE2 3.78Å; A125-F165 HydrophobicContact CB-CG 3.47Å; A125-F165 VanDerWaalsContact CB-CG 3.47Å; A125-F165 HydrophobicContact CB-CZ 3.8Å
126	A	98.8	Very high	98.3	Very high	10 Å²	10	41.5 Å²	41.5	8%	0.083	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-52	173.8	0	0	0	0	0	111.9	V115 G122 R124 M128 A129 E130 V136 T138	V115-A126 HydrophobicContact CG1-CB 4.38Å; V115-A126 HydrophobicContact CG2-CB 4.38Å; G122-A126 WeakPolarHBondContact O-CB 3.3Å; G122-A126 PolarHBondContact O-N 3.48Å; R124-A126 VanDerWaalsContact C-N 3.31Å; R124-A126 PolarHBondContact O-N 2.94Å; A126-M128 VanDerWaalsContact C-N 3.35Å; A126-M128 PolarHBondContact O-N 3.15Å; A126-A129 PolarHBondContact O-N 2.61Å; A126-E130 WeakPolarHBondContact O-CG 3.39Å; A126-E130 PolarHBondContact O-N 2.96Å; A126-V136 HydrophobicContact CB-CG1 3.89Å; A126-T138 HydrophobicContact CB-CG2 4.39Å
127	D	98.8	Very high	98.3	Very high	51 Å²	51	46 Å²	46	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-57.8	-44.8	177.6	-177.8	8.6	0	0	0	111.5	E123 R124 A129 E130 R131	E123-D127 PolarHBondContact O-N 2.89Å; R124-D127 PolarHBondContact O-N 3.03Å; D127-A129 PolarHBondContact O-N 3.34Å; D127-E130 PolarHBondContact O-N 3.13Å; D127-R131 VanDerWaalsContact O-CG 3.26Å; D127-R131 WeakPolarHBondContact O-CG 3.19Å; D127-R131 PolarHBondContact O-N 2.9Å; D127-R131 IonicContact OD1-CZ 3.36Å; D127-R131 IonicContact OD1-NE 2.74Å; D127-R131 PolarHBondContact OD1-NE 3.35Å; D127-R131 IonicContact OD1-NH2 2.8Å; D127-R131 PolarHBondContact OD1-NH2 3.46Å; D127-R131 VanDerWaalsContact OD1-NH2 3.16Å; D127-R131 IonicContact OD2-NE 3.76Å; D127-R131 IonicContact OD2-NH2 3.31Å
128	M	98.8	Very high	98.3	Very high	16 Å²	16	48.7 Å²	48.7	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-40.3	176.7	-72.6	178.2	178.5	0	0	113.2	H96 M99 E100 I103 R124 A126 R131 V132	H96-M128 HydrophobicContact CB-CE 4.01Å; M99-M128 HydrophobicContact CB-SD 4.02Å; M99-M128 HydrophobicContact CG-SD 3.7Å; M99-M128 HydrophobicContact SD-CE 4.12Å; M99-M128 HydrophobicContact SD-SD 3.4Å; E100-M128 HydrophobicContact CG-CE 3.7Å; E100-M128 HydrophobicContact CG-CG 4.28Å; E100-M128 HydrophobicContact CG-SD 3.61Å; I103-M128 HydrophobicContact CD1-CB 3.8Å; I103-M128 HydrophobicContact CD1-SD 4.45Å; R124-M128 WeakPolarHBondContact O-CB 3.45Å; R124-M128 VanDerWaalsContact O-CG 3.31Å; R124-M128 WeakPolarHBondContact O-CG 3.49Å; R124-M128 PolarHBondContact O-N 3.39Å; A126-M128 VanDerWaalsContact C-N 3.35Å; A126-M128 PolarHBondContact O-N 3.15Å; M128-R131 PolarHBondContact O-N 2.81Å; M128-V132 PolarHBondContact O-N 2.91Å
129	A	98.8	Very high	98.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.6	-40.4	177.1	0	0	0	0	0	111.8	I103 V113 A125 A126 D127 R131 V132 G133 A134 V136	I103-A129 HydrophobicContact CG2-CB 4.2Å; V113-A129 HydrophobicContact CB-CB 4.39Å; V113-A129 HydrophobicContact CG1-CB 4.18Å; V113-A129 HydrophobicContact CG2-CB 4.43Å; A125-A129 WeakPolarHBondContact O-CB 3.08Å; A125-A129 PolarHBondContact O-N 2.89Å; A126-A129 PolarHBondContact O-N 2.61Å; D127-A129 PolarHBondContact O-N 3.34Å; A129-R131 VanDerWaalsContact C-N 3.31Å; A129-R131 PolarHBondContact O-N 2.84Å; A129-V132 WeakPolarHBondContact O-CG2 3.32Å; A129-V132 PolarHBondContact O-N 2.89Å; A129-G133 PolarHBondContact O-N 3.07Å; A129-A134 HydrophobicContact CB-CB 4.05Å; A129-A134 WeakPolarHBondContact O-CB 3.4Å; A129-A134 PolarHBondContact O-N 2.67Å; A129-V136 HydrophobicContact CB-CG2 3.59Å
130	E	98.8	Very high	98.5	Very high	119 Å²	119	54.6 Å²	54.6	56%	0.556	26%	0.263	S	S	*	.	H	α-helix	trans	-60.7	-40.3	174.4	-72.9	177.7	178.3	0	0	111.7	A126 D127 V132 G133 V136	A126-E130 WeakPolarHBondContact O-CG 3.39Å; A126-E130 PolarHBondContact O-N 2.96Å; D127-E130 PolarHBondContact O-N 3.13Å; E130-V132 PolarHBondContact O-N 3.06Å; E130-G133 WeakPolarHBondContact O-CA 3.17Å; E130-G133 PolarHBondContact O-N 2.79Å; E130-V136 HydrophobicContact CG-CB 4.01Å; E130-V136 HydrophobicContact CG-CG2 3.6Å
131	R	98.8	Very high	98.4	Very high	179 Å²	179	54.3 Å²	54.3	68%	0.675	26%	0.263	S	S	*	.	H	α-helix	trans	-62.1	-24.9	178	-74.2	170	-172.6	-83.1	-8.3	114.2	D127 M128 A129 G133	D127-R131 VanDerWaalsContact O-CG 3.26Å; D127-R131 WeakPolarHBondContact O-CG 3.19Å; D127-R131 PolarHBondContact O-N 2.9Å; D127-R131 IonicContact OD1-CZ 3.36Å; D127-R131 IonicContact OD1-NE 2.74Å; D127-R131 PolarHBondContact OD1-NE 3.35Å; D127-R131 IonicContact OD1-NH2 2.8Å; D127-R131 PolarHBondContact OD1-NH2 3.46Å; D127-R131 VanDerWaalsContact OD1-NH2 3.16Å; D127-R131 IonicContact OD2-NE 3.76Å; D127-R131 IonicContact OD2-NH2 3.31Å; M128-R131 PolarHBondContact O-N 2.81Å; A129-R131 VanDerWaalsContact C-N 3.31Å; A129-R131 PolarHBondContact O-N 2.84Å; R131-G133 VanDerWaalsContact C-N 3.34Å
132	V	98.3	Very high	98	Very high	16 Å²	16	57.2 Å²	57.2	10%	0.097	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	10.2	173.2	-60.9	0	0	0	0	113.3	I103 F104 V107 S109 M128 A129 E130 V251	I103-V132 HydrophobicContact CG2-CG2 4.03Å; F104-V132 HydrophobicContact CD1-CG1 3.31Å; F104-V132 HydrophobicContact CE1-CG1 3.49Å; F104-V132 VanDerWaalsContact CE1-CG1 3.49Å; F104-V132 HydrophobicContact CG-CG1 4.12Å; F104-V132 HydrophobicContact CZ-CG1 4.41Å; V107-V132 HydrophobicContact CB-CG2 4.44Å; V107-V132 HydrophobicContact CG1-CG2 4.38Å; S109-V132 WeakPolarHBondContact CA-O 3.16Å; M128-V132 PolarHBondContact O-N 2.91Å; A129-V132 WeakPolarHBondContact O-CG2 3.32Å; A129-V132 PolarHBondContact O-N 2.89Å; E130-V132 PolarHBondContact O-N 3.06Å; V132-V251 HydrophobicContact CG1-CG1 4.46Å; V132-V251 HydrophobicContact CG1-CG2 3.92Å
133	G	98.5	Very high	97.4	Very high	33 Å²	33	60.1 Å²	60.1	34%	0.34	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	16.4	175.7	0	0	0	0	0	114.4	G110 A129 E130 R131	G110-G133 PolarHBondContact N-O 2.99Å; A129-G133 PolarHBondContact O-N 3.07Å; E130-G133 WeakPolarHBondContact O-CA 3.17Å; E130-G133 PolarHBondContact O-N 2.79Å; R131-G133 VanDerWaalsContact C-N 3.34Å
134	A	98.8	Very high	97	Very high	12 Å²	12	56.7 Å²	56.7	10%	0.099	29%	0.293	C	S	.	.			trans	-68.5	150.3	177.9	0	0	0	0	0	112.2	V107 E111 V113 A129 V136	V107-A134 HydrophobicContact CG1-CB 3.69Å; E111-A134 CarbonylContact O-C 3.57Å; E111-A134 WeakPolarHBondContact O-CA 3.37Å; V113-A134 HydrophobicContact CB-CB 4.38Å; V113-A134 HydrophobicContact CG2-CB 3.79Å; A129-A134 HydrophobicContact CB-CB 4.05Å; A129-A134 WeakPolarHBondContact O-CB 3.4Å; A129-A134 PolarHBondContact O-N 2.67Å; A134-V136 HydrophobicContact CB-CG2 4.11Å; A134-V136 PolarHBondContact O-N 2.86Å
135	R	98.8	Very high	96.8	Very high	146 Å²	146	52.3 Å²	52.3	55%	0.551	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	90.1	164.4	-66.5	-168.1	-60	-86.5	-13.3	109.3	G110 E111 S112 V113	G110-R135 PolarHBondContact O-NH1 2.83Å; G110-R135 PolarHBondContact O-NH2 3.31Å; E111-R135 PolarHBondContact O-N 3.02Å; S112-R135 WeakPolarHBondContact CA-O 3.3Å; S112-R135 PolarHBondContact OG-O 2.93Å; V113-R135 PolarHBondContact N-O 3.34Å; V113-R135 VanDerWaalsContact N-O 3.08Å
136	V	98.9	Very high	96.7	Very high	27 Å²	27	54.9 Å²	54.9	16%	0.164	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.3	-177.5	-179.3	0	0	0	0	111.7	V113 V115 A126 A129 E130 A134 T138	V113-V136 CarbonylContact O-C 3.59Å; V113-V136 WeakPolarHBondContact O-CA 3.24Å; V115-V136 HydrophobicContact CG2-CG1 4.05Å; A126-V136 HydrophobicContact CB-CG1 3.89Å; A129-V136 HydrophobicContact CB-CG2 3.59Å; E130-V136 HydrophobicContact CG-CB 4.01Å; E130-V136 HydrophobicContact CG-CG2 3.6Å; A134-V136 HydrophobicContact CB-CG2 4.11Å; A134-V136 PolarHBondContact O-N 2.86Å; V136-T138 HydrophobicContact CG1-CG2 4.27Å
137	K	98.7	Very high	96.6	Very high	96 Å²	96	54.8 Å²	54.8	42%	0.417	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.3	169.6	-61.9	-63.3	178.2	-173.1	0	108.5	V113 L114 V115 H159	V113-K137 PolarHBondContact O-N 2.82Å; L114-K137 CarbonylContact C-O 3.51Å; L114-K137 WeakPolarHBondContact CA-O 3.43Å; L114-K137 HydrophobicContact CD1-CB 3.99Å; V115-K137 PolarHBondContact N-O 3.2Å; K137-H159 HydrophobicContact CB-CB 4.47Å; K137-H159 HydrophobicContact CG-CB 4.15Å
138	T	98.6	Very high	96.5	Very high	72 Å²	72	55.5 Å²	55.5	44%	0.442	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.5	-179	53.5	0	0	0	0	110.7	V115 V117 A126 V136	V115-T138 HydrophobicContact CB-CG2 4.34Å; V115-T138 WeakPolarHBondContact O-CA 3.45Å; V117-T138 HydrophobicContact CG2-CG2 3.78Å; A126-T138 HydrophobicContact CB-CG2 4.39Å; V136-T138 HydrophobicContact CG1-CG2 4.27Å
139	I	98.2	Very high	96.5	Very high	24 Å²	24	57.7 Å²	57.7	12%	0.123	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.7	163.2	46.3	-179.6	0	0	0	107.6	L114 V115 A116 V117 L147 I152 A155 F164	L114-I139 HydrophobicContact CD1-CG1 4.37Å; L114-I139 HydrophobicContact CD1-CG2 4.3Å; L114-I139 HydrophobicContact CD2-CD1 4.37Å; V115-I139 PolarHBondContact O-N 2.84Å; A116-I139 HydrophobicContact CB-CG1 4.46Å; V117-I139 PolarHBondContact N-O 2.96Å; I139-L147 HydrophobicContact CB-CD1 4.29Å; I139-L147 HydrophobicContact CB-CD2 4.33Å; I139-L147 HydrophobicContact CD1-CD1 3.63Å; I139-L147 HydrophobicContact CG1-CD1 3.61Å; I139-I152 HydrophobicContact CD1-CG1 4.09Å; I139-A155 HydrophobicContact CD1-CB 4.27Å; I139-A155 HydrophobicContact CG2-CB 3.52Å; I139-F164 HydrophobicContact CD1-CE2 3.96Å; I139-F164 HydrophobicContact CD1-CZ 4.17Å
140	V	97.4	Very high	96.5	Very high	102 Å²	102	61 Å²	61	62%	0.618	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.3	-167.9	-174.4	0	0	0	0	109.8	V117	V117-V140 HydrophobicContact CB-CG2 4.27Å; V117-V140 WeakPolarHBondContact O-CA 3.44Å
141	A	94.8	Very high	96.5	Very high	7 Å²	7	59.9 Å²	59.9	6%	0.058	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-97.7	148.8	166.8	0	0	0	0	0	109.6	V117 N118 L147	V117-A141 PolarHBondContact O-N 3.23Å; N118-A141 HydrophobicContact CB-CB 3.87Å; A141-L147 HydrophobicContact CB-CD2 4.12Å; A141-L147 HydrophobicContact CB-CG 4.18Å
142	P	91	Very high	96.5	Very high	96 Å²	96	51.3 Å²	51.3	62%	0.623	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-60.7	149.8	173.1	26.5	-33.9	0	0	0	110.6	G144 G145	P142-G144 PolarHBondContact O-N 2.84Å; P142-G145 WeakPolarHBondContact O-CA 3.49Å; P142-G145 PolarHBondContact O-N 3.17Å
143	P	85.7	Confident	96.5	Very high	60 Å²	60	53.4 Å²	53.4	39%	0.39	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	125.3	177.1	-27.6	36.4	0	0	0	111.9	T173 F324 P367	P143-T173 HydrophobicContact CB-CG2 4.42Å; P143-F324 HydrophobicContact CB-CE1 4.34Å; P143-F324 HydrophobicContact CB-CZ 3.99Å; P143-F324 WeakPolarHBondContact O-CZ 3.42Å; P143-P367 HydrophobicContact CG-CB 4.01Å
144	G	89.1	Confident	96.5	Very high	16 Å²	16	58.7 Å²	58.7	17%	0.165	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-0	-174.7	0	0	0	0	0	114.5	P142 V175	P142-G144 PolarHBondContact O-N 2.84Å; G144-V175 VanDerWaalsContact C-CG2 3.48Å
145	G	93.8	Very high	96.5	Very high	16 Å²	16	58.3 Å²	58.3	17%	0.165	32%	0.317	C	S	.	.			trans	-103.1	176.5	170	0	0	0	0	0	113.3	P142	P142-G145 WeakPolarHBondContact O-CA 3.49Å; P142-G145 PolarHBondContact O-N 3.17Å
146	Y	96.8	Very high	96.5	Very high	55 Å²	55	51.4 Å²	51.4	22%	0.216	29%	0.291	C	S	.	.			trans	-138	171.9	176.2	60.7	-83.6	0	0	0	109.4	P178 E327 H329 A330	Y146-P178 HydrophobicContact CD2-CG 4.06Å; Y146-P178 HydrophobicContact CE2-CG 3.98Å; Y146-E327 WeakPolarHBondContact CE1-OE2 3.36Å; Y146-E327 PolarHBondContact OH-OE2 3.1Å; Y146-H329 PolarHBondContact OH-NE2 3.19Å; Y146-A330 HydrophobicContact CD1-CB 3.93Å; Y146-A330 HydrophobicContact CE1-CB 3.81Å
147	L	97.4	Very high	96.5	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.042	30%	0.299	C	S	.	.			trans	-100.2	141.9	-179.5	-63	159.2	0	0	0	110.1	A116 I139 A141 I152 H177	A116-L147 HydrophobicContact CB-CD1 3.42Å; A116-L147 VanDerWaalsContact CB-CD1 3.42Å; I139-L147 HydrophobicContact CB-CD1 4.29Å; I139-L147 HydrophobicContact CB-CD2 4.33Å; I139-L147 HydrophobicContact CD1-CD1 3.63Å; I139-L147 HydrophobicContact CG1-CD1 3.61Å; A141-L147 HydrophobicContact CB-CD2 4.12Å; A141-L147 HydrophobicContact CB-CG 4.18Å; L147-I152 HydrophobicContact CB-CD1 4.21Å; L147-I152 HydrophobicContact CB-CG1 4.07Å; L147-H177 PolarHBondContact N-NE2 2.88Å; L147-H177 PolarHBondContact O-CE1 3.39Å; L147-H177 PolarHBondContact O-NE2 3.11Å
148	T	97.9	Very high	96.5	Very high	65 Å²	65	53.8 Å²	53.8	40%	0.399	31%	0.307	S	S	.	.			trans	-82.9	156.1	174.4	64.6	0	0	0	0	111.4	A150 E151 I152	T148-A150 PolarHBondContact O-N 3.32Å; T148-E151 WeakPolarHBondContact CB-OE2 3.35Å; T148-E151 PolarHBondContact N-OE2 2.68Å; T148-E151 PolarHBondContact O-N 2.96Å; T148-E151 VanDerWaalsContact O-N 3.11Å; T148-E151 VanDerWaalsContact OG1-CG 3.31Å; T148-E151 WeakPolarHBondContact OG1-CG 3.27Å; T148-E151 PolarHBondContact OG1-N 3.45Å; T148-E151 PolarHBondContact OG1-OE2 2.89Å; T148-I152 WeakPolarHBondContact O-CG1 3.4Å; T148-I152 PolarHBondContact O-N 3.37Å
149	N	98.4	Very high	96.5	Very high	63 Å²	63	52.6 Å²	52.6	34%	0.337	30%	0.297	S	S	.	.	H	α-helix	trans	-56.4	-32.8	174.6	-75.9	7.2	0	0	0	112.6	E153 D180 I182 L185	N149-E153 VanDerWaalsContact O-CB 3.31Å; N149-E153 WeakPolarHBondContact O-CB 3.18Å; N149-E153 PolarHBondContact O-N 3.46Å; N149-D180 PolarHBondContact ND2-O 2.99Å; N149-I182 WeakPolarHBondContact OD1-CG1 3.4Å; N149-L185 HydrophobicContact CB-CD1 3.87Å
150	A	98.5	Very high	96.5	Very high	69 Å²	69	58.9 Å²	58.9	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-69.5	-40.5	177.2	0	0	0	0	0	112.8	T148 K154	T148-A150 PolarHBondContact O-N 3.32Å; A150-K154 WeakPolarHBondContact O-CB 3.3Å; A150-K154 PolarHBondContact O-N 2.84Å
151	E	98.4	Very high	96.6	Very high	95 Å²	95	54.1 Å²	54.1	44%	0.444	29%	0.29	S	S	.	.	H	α-helix	trans	-65.3	-41.3	174.6	-71.2	163.7	135.8	0	0	111.2	T148 A155	T148-E151 WeakPolarHBondContact CB-OE2 3.35Å; T148-E151 PolarHBondContact N-OE2 2.68Å; T148-E151 PolarHBondContact O-N 2.96Å; T148-E151 VanDerWaalsContact O-N 3.11Å; T148-E151 VanDerWaalsContact OG1-CG 3.31Å; T148-E151 WeakPolarHBondContact OG1-CG 3.27Å; T148-E151 PolarHBondContact OG1-N 3.45Å; T148-E151 PolarHBondContact OG1-OE2 2.89Å; E151-A155 PolarHBondContact O-N 3.34Å
152	I	98.7	Very high	96.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-49	176	-64.8	168.2	0	0	0	110.4	I139 L147 T148 K154 A155 L156 F164 L166 I182	I139-I152 HydrophobicContact CD1-CG1 4.09Å; L147-I152 HydrophobicContact CB-CD1 4.21Å; L147-I152 HydrophobicContact CB-CG1 4.07Å; T148-I152 WeakPolarHBondContact O-CG1 3.4Å; T148-I152 PolarHBondContact O-N 3.37Å; I152-K154 VanDerWaalsContact C-N 3.34Å; I152-K154 PolarHBondContact O-N 3.24Å; I152-A155 PolarHBondContact O-N 2.85Å; I152-L156 HydrophobicContact CG2-CD1 3.8Å; I152-L156 HydrophobicContact CG2-CG 4.16Å; I152-L156 WeakPolarHBondContact O-CG 3.11Å; I152-L156 PolarHBondContact O-N 2.98Å; I152-F164 HydrophobicContact CD1-CE1 4.24Å; I152-F164 HydrophobicContact CD1-CZ 4.22Å; I152-F164 HydrophobicContact CG1-CE1 4.4Å; I152-F164 HydrophobicContact CG1-CZ 4.1Å; I152-F164 HydrophobicContact CG2-CD1 4.33Å; I152-F164 HydrophobicContact CG2-CE1 3.71Å; I152-F164 HydrophobicContact CG2-CZ 4Å; I152-L166 HydrophobicContact CD1-CD1 4.38Å; I152-I182 HydrophobicContact CD1-CD1 3.69Å; I152-I182 HydrophobicContact CD1-CG1 4.12Å
153	E	98.8	Very high	97.1	Very high	59 Å²	59	51 Å²	51	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-60.1	-43.2	179.6	-179.4	167.7	-150.9	0	0	112.1	N149 A155 L156 S157 L185 K188 Y189	N149-E153 VanDerWaalsContact O-CB 3.31Å; N149-E153 WeakPolarHBondContact O-CB 3.18Å; N149-E153 PolarHBondContact O-N 3.46Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.19Å; E153-L156 PolarHBondContact O-N 2.6Å; E153-S157 WeakPolarHBondContact O-CB 3.29Å; E153-S157 PolarHBondContact O-N 3.5Å; E153-S157 PolarHBondContact O-OG 3.37Å; E153-L185 HydrophobicContact CB-CD1 4.33Å; E153-L185 HydrophobicContact CB-CD2 4.16Å; E153-L185 HydrophobicContact CG-CD2 4.15Å; E153-K188 IonicContact OE1-NZ 3.88Å; E153-K188 PolarHBondContact OE1-NZ 2.92Å; E153-Y189 HydrophobicContact CG-CE2 3.92Å; E153-Y189 PolarHBondContact OE1-OH 2.84Å
154	K	98.7	Very high	97.8	Very high	144 Å²	144	48.1 Å²	48.1	63%	0.626	25%	0.25	S	C	*	.	H	α-helix	trans	-55.6	-50.4	175	-177.2	-176.7	174.9	-173	0	110.7	A150 I152 S157 E158	A150-K154 WeakPolarHBondContact O-CB 3.3Å; A150-K154 PolarHBondContact O-N 2.84Å; I152-K154 VanDerWaalsContact C-N 3.34Å; I152-K154 PolarHBondContact O-N 3.24Å; K154-S157 PolarHBondContact O-N 3.42Å; K154-S157 PolarHBondContact O-OG 3.44Å; K154-E158 WeakPolarHBondContact O-CB 3.41Å; K154-E158 PolarHBondContact O-N 2.96Å
155	A	98.7	Very high	98.2	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-38.6	-179	0	0	0	0	0	113.3	L114 I139 E151 I152 E153 S157 E158 H159	L114-A155 HydrophobicContact CD1-CB 4.14Å; L114-A155 HydrophobicContact CD2-CB 3.8Å; I139-A155 HydrophobicContact CD1-CB 4.27Å; I139-A155 HydrophobicContact CG2-CB 3.52Å; E151-A155 PolarHBondContact O-N 3.34Å; I152-A155 PolarHBondContact O-N 2.85Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.19Å; A155-S157 VanDerWaalsContact C-N 3.31Å; A155-S157 PolarHBondContact O-N 2.93Å; A155-E158 PolarHBondContact O-N 2.93Å; A155-H159 WeakPolarHBondContact O-CB 3.26Å; A155-H159 PolarHBondContact O-N 2.75Å
156	L	98.8	Very high	98.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-43.3	172.9	-72.6	172.3	0	0	0	111.2	L114 I152 E153 R160 P161 F164 L185 Y189 C191	L114-L156 HydrophobicContact CD2-CD2 3.96Å; L114-L156 HydrophobicContact CD2-CG 4.24Å; I152-L156 HydrophobicContact CG2-CD1 3.8Å; I152-L156 HydrophobicContact CG2-CG 4.16Å; I152-L156 WeakPolarHBondContact O-CG 3.11Å; I152-L156 PolarHBondContact O-N 2.98Å; E153-L156 PolarHBondContact O-N 2.6Å; L156-R160 WeakPolarHBondContact O-CA 3.49Å; L156-R160 PolarHBondContact O-N 3.03Å; L156-P161 HydrophobicContact CD2-CG 3.77Å; L156-F164 HydrophobicContact CD2-CB 4.31Å; L156-L185 HydrophobicContact CD1-CB 4.07Å; L156-Y189 HydrophobicContact CB-CD2 3.87Å; L156-Y189 HydrophobicContact CB-CE2 4.42Å; L156-Y189 HydrophobicContact CB-CG 3.99Å; L156-Y189 HydrophobicContact CD1-CD2 4.27Å; L156-C191 HydrophobicContact CD2-CB 4.08Å
157	S	98.4	Very high	98.6	Very high	47 Å²	47	44.1 Å²	44.1	33%	0.329	22%	0.224	S	C	.	.	H	α-helix	trans	-66.7	-38.2	180	79.7	0	0	0	0	113.3	E153 K154 A155 R160 Y189	E153-S157 WeakPolarHBondContact O-CB 3.29Å; E153-S157 PolarHBondContact O-N 3.5Å; E153-S157 PolarHBondContact O-OG 3.37Å; K154-S157 PolarHBondContact O-N 3.42Å; K154-S157 PolarHBondContact O-OG 3.44Å; A155-S157 VanDerWaalsContact C-N 3.31Å; A155-S157 PolarHBondContact O-N 2.93Å; S157-R160 PolarHBondContact O-NE 2.97Å; S157-R160 VanDerWaalsContact O-NE 3.16Å; S157-Y189 VanDerWaalsContact CA-CE1 3.46Å; S157-Y189 VanDerWaalsContact CB-CE1 3.45Å
158	E	98.4	Very high	98.6	Very high	126 Å²	126	44.1 Å²	44.1	59%	0.589	22%	0.224	S	C	*	.	H	α-helix	trans	-76.9	-44.2	-177.2	-174.1	179.9	154.8	0	0	112.1	K154 A155	K154-E158 WeakPolarHBondContact O-CB 3.41Å; K154-E158 PolarHBondContact O-N 2.96Å; A155-E158 PolarHBondContact O-N 2.93Å
159	H	98.5	Very high	98.7	Very high	48 Å²	48	41 Å²	41	22%	0.222	21%	0.205	C	C	.	.	H	α-helix	trans	-99.3	-17	-169.9	-60.6	-38.9	0	0	0	114.3	S112 K137 A155	S112-H159 PolarHBondContact OG-O 3.23Å; K137-H159 HydrophobicContact CB-CB 4.47Å; K137-H159 HydrophobicContact CG-CB 4.15Å; A155-H159 WeakPolarHBondContact O-CB 3.26Å; A155-H159 PolarHBondContact O-N 2.75Å
160	R	98.3	Very high	98.7	Very high	156 Å²	156	38 Å²	38	59%	0.589	19%	0.189	S	C	*	.			trans	44.1	55.2	-179.3	-59.8	-63.5	-175.6	144.2	1.9	112.9	L156 S157	L156-R160 WeakPolarHBondContact O-CA 3.49Å; L156-R160 PolarHBondContact O-N 3.03Å; S157-R160 PolarHBondContact O-NE 2.97Å; S157-R160 VanDerWaalsContact O-NE 3.16Å
161	P	98.8	Very high	98.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.013	16%	0.162	C	C	.	.			trans	-73.4	148.6	-176.8	33.7	-37.9	0	0	0	111.9	S112 L114 L156 L163 C191	S112-P161 CarbonylContact O-C 3.57Å; S112-P161 VanDerWaalsContact O-CA 3.29Å; S112-P161 WeakPolarHBondContact O-CA 3.44Å; L114-P161 HydrophobicContact CB-CB 3.71Å; L114-P161 HydrophobicContact CB-CG 3.57Å; L114-P161 HydrophobicContact CD2-CG 4.22Å; L156-P161 HydrophobicContact CD2-CG 3.77Å; P161-L163 VanDerWaalsContact C-N 3.31Å; P161-C191 HydrophobicContact CG-CB 4.5Å; P161-C191 VanDerWaalsContact O-CB 3.27Å; P161-C191 WeakPolarHBondContact O-CB 3.44Å; P161-C191 PolarHBondContact O-SG 2.99Å
162	V	98.8	Very high	98.7	Very high	36 Å²	36	30.3 Å²	30.3	22%	0.218	14%	0.141	C	C	.	.	S	Bend	trans	-76.2	-24.5	171.1	-55.4	0	0	0	0	111.9	E111 S112 L192	E111-V162 HydrophobicContact CB-CG1 4.24Å; E111-V162 HydrophobicContact CB-CG2 3.83Å; S112-V162 WeakPolarHBondContact O-CG2 3.47Å; S112-V162 PolarHBondContact O-N 3.34Å; V162-L192 PolarHBondContact O-N 2.96Å
163	L	98.9	Very high	98.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.6	-177.4	-172.7	68.6	0	0	0	110.1	T106 V107 V113 L114 P161 C191 L192 L194 I215	T106-L163 HydrophobicContact CG2-CD1 3.97Å; T106-L163 HydrophobicContact CG2-CD2 4.5Å; V107-L163 HydrophobicContact CG2-CB 4.25Å; V107-L163 HydrophobicContact CG2-CD2 3.59Å; V113-L163 WeakPolarHBondContact CA-O 3.29Å; V113-L163 HydrophobicContact CG1-CB 4.49Å; V113-L163 HydrophobicContact CG2-CB 4.4Å; L114-L163 PolarHBondContact N-O 2.94Å; P161-L163 VanDerWaalsContact C-N 3.31Å; L163-C191 VanDerWaalsContact C-SG 3.55Å; L163-L192 CarbonylContact C-O 3.31Å; L163-L192 WeakPolarHBondContact CA-O 3.47Å; L163-L192 HydrophobicContact CD1-CB 3.8Å; L163-L194 HydrophobicContact CD1-CB 3.76Å; L163-L194 HydrophobicContact CD2-CD2 4.03Å; L163-L194 HydrophobicContact CG-CB 4.28Å; L163-I215 HydrophobicContact CD1-CD1 4.34Å
164	F	98.9	Very high	98.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.9	169.6	176.2	-132.5	0	0	0	109.8	L114 A116 I139 I152 L156 L166 I182 C191 L192 L193 L194	L114-F164 HydrophobicContact CB-CD2 3.91Å; L114-F164 HydrophobicContact CD2-CD2 3.76Å; L114-F164 HydrophobicContact CD2-CE2 4.08Å; L114-F164 HydrophobicContact CD2-CG 4.44Å; L114-F164 HydrophobicContact CG-CD2 3.64Å; L114-F164 HydrophobicContact CG-CE2 4Å; L114-F164 CarbonylContact O-C 3.54Å; L114-F164 VanDerWaalsContact O-CA 3.3Å; L114-F164 WeakPolarHBondContact O-CA 3.39Å; L114-F164 WeakPolarHBondContact O-CD2 3.3Å; A116-F164 HydrophobicContact CB-CE2 3.92Å; A116-F164 HydrophobicContact CB-CZ 3.96Å; I139-F164 HydrophobicContact CD1-CE2 3.96Å; I139-F164 HydrophobicContact CD1-CZ 4.17Å; I152-F164 HydrophobicContact CD1-CE1 4.24Å; I152-F164 HydrophobicContact CD1-CZ 4.22Å; I152-F164 HydrophobicContact CG1-CE1 4.4Å; I152-F164 HydrophobicContact CG1-CZ 4.1Å; I152-F164 HydrophobicContact CG2-CD1 4.33Å; I152-F164 HydrophobicContact CG2-CE1 3.71Å; I152-F164 HydrophobicContact CG2-CZ 4Å; L156-F164 HydrophobicContact CD2-CB 4.31Å; F164-L166 HydrophobicContact CE1-CB 4.28Å; F164-L166 HydrophobicContact CE1-CD1 3.98Å; F164-L166 HydrophobicContact CZ-CB 4.34Å; F164-L166 HydrophobicContact CZ-CD1 3.8Å; F164-I182 HydrophobicContact CD1-CG2 4.13Å; F164-I182 HydrophobicContact CE1-CG2 3.84Å; F164-C191 PolarHBondContact N-SG 3.42Å; F164-L192 PolarHBondContact N-O 3.25Å; F164-L193 HydrophobicContact CD1-CD1 3.81Å; F164-L193 HydrophobicContact CE1-CD1 4.37Å; F164-L194 PolarHBondContact O-N 2.82Å
165	F	98.9	Very high	98.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.3	174.9	174.3	-86.7	0	0	0	111.6	M99 L114 V115 A116 W121 A125 A167 L194 D196 Y217	M99-F165 HydrophobicContact CE-CE2 4.07Å; M99-F165 HydrophobicContact CE-CZ 3.95Å; M99-F165 HydrophobicContact CG-CE2 4.41Å; L114-F165 PolarHBondContact O-N 3.43Å; V115-F165 HydrophobicContact CG1-CB 4.35Å; V115-F165 HydrophobicContact CG1-CD1 3.85Å; V115-F165 HydrophobicContact CG1-CG 4.46Å; V115-F165 HydrophobicContact CG2-CB 4.37Å; A116-F165 WeakPolarHBondContact CB-O 3.41Å; A116-F165 PolarHBondContact N-O 2.95Å; W121-F165 HydrophobicContact CB-CZ 4.49Å; A125-F165 HydrophobicContact CB-CB 4.22Å; A125-F165 HydrophobicContact CB-CD1 3.5Å; A125-F165 VanDerWaalsContact CB-CD1 3.5Å; A125-F165 HydrophobicContact CB-CD2 3.62Å; A125-F165 HydrophobicContact CB-CE1 3.66Å; A125-F165 HydrophobicContact CB-CE2 3.78Å; A125-F165 HydrophobicContact CB-CG 3.47Å; A125-F165 VanDerWaalsContact CB-CG 3.47Å; A125-F165 HydrophobicContact CB-CZ 3.8Å; F165-A167 HydrophobicContact CE1-CB 4.44Å; F165-L194 WeakPolarHBondContact CA-O 3.21Å; F165-L194 HydrophobicContact CD2-CD2 3.81Å; F165-L194 HydrophobicContact CD2-CG 3.87Å; F165-D196 HydrophobicContact CE2-CB 4.03Å; F165-D196 HydrophobicContact CZ-CB 3.83Å; F165-Y217 HydrophobicContact CE2-CE1 4.33Å
166	L	98.8	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135	174.2	-173	120	0	0	0	112.3	A116 I152 F164 H177 L179 I182 L194 V195 D196	A116-L166 HydrophobicContact CB-CB 4.48Å; A116-L166 HydrophobicContact CB-CD1 3.9Å; A116-L166 HydrophobicContact CB-CG 4.39Å; I152-L166 HydrophobicContact CD1-CD1 4.38Å; F164-L166 HydrophobicContact CE1-CB 4.28Å; F164-L166 HydrophobicContact CE1-CD1 3.98Å; F164-L166 HydrophobicContact CZ-CB 4.34Å; F164-L166 HydrophobicContact CZ-CD1 3.8Å; L166-H177 HydrophobicContact CD2-CB 4.19Å; L166-L179 HydrophobicContact CD2-CD2 3.29Å; L166-I182 HydrophobicContact CD1-CD1 4.25Å; L166-L194 PolarHBondContact N-O 3.36Å; L166-V195 WeakPolarHBondContact O-CA 3.32Å; L166-D196 PolarHBondContact O-N 2.79Å
167	A	98.7	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.8	169.8	0	0	0	0	0	111.3	W121 F165 H177 D196	W121-A167 HydrophobicContact CB-CB 4.18Å; F165-A167 HydrophobicContact CE1-CB 4.44Å; A167-H177 WeakPolarHBondContact O-CB 3.41Å; A167-D196 HydrophobicContact CB-CB 4.29Å
168	H	98.9	Very high	98.5	Very high	9 Å²	9	22.5 Å²	22.5	4%	0.042	11%	0.107	C	C	.	.	S	Bend	trans	-69.1	-53.8	177	179.7	-143.1	0	0	0	111.1	L176 H177 L179 V195 D196 S200 V204	H168-L176 WeakPolarHBondContact NE2-CD1 3.39Å; H168-L176 WeakPolarHBondContact O-CA 3.2Å; H168-H177 PolarHBondContact CD2-O 2.8Å; H168-H177 PolarHBondContact O-N 3.11Å; H168-L179 HydrophobicContact CB-CD1 4.17Å; H168-L179 HydrophobicContact CB-CD2 4.47Å; H168-L179 WeakPolarHBondContact CD2-CD1 3.36Å; H168-L179 VanDerWaalsContact CD2-CG 3.5Å; H168-L179 WeakPolarHBondContact CD2-CG 3.48Å; H168-V195 HydrophobicContact CB-CG1 3.74Å; H168-D196 WeakPolarHBondContact CB-O 3.33Å; H168-D196 PolarHBondContact N-O 2.94Å; H168-S200 VanDerWaalsContact ND1-CB 3.27Å; H168-S200 WeakPolarHBondContact ND1-CB 3.38Å; H168-S200 PolarHBondContact ND1-OG 2.87Å; H168-V204 VanDerWaalsContact CE1-CG2 3.49Å; H168-V204 WeakPolarHBondContact CE1-CG2 3.43Å
169	G	98.7	Very high	98.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	96.7	172.9	0	0	0	0	0	111.2	S171	G169-S171 PolarHBondContact O-N 3.05Å
170	E	98.6	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	81.6	-178.7	-176.8	43.3	-107.2	0	0	110.8	W121 S172 T173 G174 V175	W121-E170 WeakPolarHBondContact CB-OE2 3.45Å; W121-E170 VanDerWaalsContact CD1-CD 3.42Å; E170-S172 PolarHBondContact O-N 3.34Å; E170-S172 VanDerWaalsContact OE1-CB 3.26Å; E170-S172 WeakPolarHBondContact OE1-CB 3.37Å; E170-S172 PolarHBondContact OE1-N 2.84Å; E170-S172 VanDerWaalsContact OE1-N 3.1Å; E170-S172 PolarHBondContact OE1-OG 3.26Å; E170-T173 HydrophobicContact CG-CG2 4.29Å; E170-T173 WeakPolarHBondContact CG-OG1 3.38Å; E170-T173 PolarHBondContact O-N 3.36Å; E170-T173 PolarHBondContact O-OG1 3.03Å; E170-G174 PolarHBondContact O-N 3.2Å; E170-V175 HydrophobicContact CB-CB 4.27Å; E170-V175 PolarHBondContact N-O 3.3Å; E170-V175 PolarHBondContact O-N 2.92Å
171	S	98.6	Very high	98.5	Very high	1 Å²	1	14 Å²	14	1%	0.007	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.4	-173.2	73	0	0	0	0	115.6	W121 G169 R374	W121-S171 WeakPolarHBondContact CZ2-OG 3.18Å; W121-S171 PolarHBondContact NE1-OG 3.22Å; W121-S171 VanDerWaalsContact NE1-OG 3.1Å; G169-S171 PolarHBondContact O-N 3.05Å; S171-R374 WeakPolarHBondContact O-CD 3.44Å; S171-R374 PolarHBondContact O-NH1 3Å
172	S	98.1	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-28.7	172.7	73.8	0	0	0	0	112.1	G119 I120 E170 L365 S368	G119-S172 WeakPolarHBondContact CA-OG 3.36Å; I120-S172 PolarHBondContact N-OG 3.34Å; E170-S172 PolarHBondContact O-N 3.34Å; E170-S172 VanDerWaalsContact OE1-CB 3.26Å; E170-S172 WeakPolarHBondContact OE1-CB 3.37Å; E170-S172 PolarHBondContact OE1-N 2.84Å; E170-S172 VanDerWaalsContact OE1-N 3.1Å; E170-S172 PolarHBondContact OE1-OG 3.26Å; S172-L365 WeakPolarHBondContact CB-O 3.36Å; S172-S368 VanDerWaalsContact O-CB 3.29Å; S172-S368 WeakPolarHBondContact O-CB 3.44Å; S172-S368 PolarHBondContact O-OG 2.96Å
173	T	98.2	Very high	98.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-11.9	-177.7	65.9	0	0	0	0	113.8	N118 P143 E170 V175 V325 T337	N118-T173 VanDerWaalsContact O-CG2 3.31Å; N118-T173 WeakPolarHBondContact O-CG2 3.46Å; P143-T173 HydrophobicContact CB-CG2 4.42Å; E170-T173 HydrophobicContact CG-CG2 4.29Å; E170-T173 WeakPolarHBondContact CG-OG1 3.38Å; E170-T173 PolarHBondContact O-N 3.36Å; E170-T173 PolarHBondContact O-OG1 3.03Å; T173-V175 VanDerWaalsContact C-N 3.34Å; T173-V175 WeakPolarHBondContact OG1-CG2 3.45Å; T173-V325 WeakPolarHBondContact O-CG2 3.42Å; T173-T337 WeakPolarHBondContact O-CB 3.4Å; T173-T337 WeakPolarHBondContact O-CG2 3.31Å; T173-T337 PolarHBondContact O-OG1 2.87Å
174	G	98.6	Very high	98.5	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.021	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	19.9	-179.6	0	0	0	0	0	113.4	E170 L332 V335	E170-G174 PolarHBondContact O-N 3.2Å; G174-L332 VanDerWaalsContact O-CB 3.3Å; G174-L332 WeakPolarHBondContact O-CB 3.31Å; G174-L332 PolarHBondContact O-N 2.94Å; G174-V335 WeakPolarHBondContact CA-O 3.33Å
175	V	98.8	Very high	98.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.6	-178.4	174.9	0	0	0	0	110.5	G144 E170 T173 V325 A330	G144-V175 VanDerWaalsContact C-CG2 3.48Å; E170-V175 HydrophobicContact CB-CB 4.27Å; E170-V175 PolarHBondContact N-O 3.3Å; E170-V175 PolarHBondContact O-N 2.92Å; T173-V175 VanDerWaalsContact C-N 3.34Å; T173-V175 WeakPolarHBondContact OG1-CG2 3.45Å; V175-V325 HydrophobicContact CG2-CG1 4.42Å; V175-V325 HydrophobicContact CG2-CG2 3.61Å; V175-A330 CarbonylContact C-O 3.59Å; V175-A330 WeakPolarHBondContact CA-O 3.47Å
176	L	98.8	Very high	98.4	Very high	31 Å²	31	18.8 Å²	18.8	16%	0.162	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	111.3	163.6	178.9	64.3	0	0	0	107.9	H168 V204 A330 L332	H168-L176 WeakPolarHBondContact NE2-CD1 3.39Å; H168-L176 WeakPolarHBondContact O-CA 3.2Å; L176-V204 HydrophobicContact CD1-CB 4.4Å; L176-V204 HydrophobicContact CD1-CG1 4.22Å; L176-V204 HydrophobicContact CD1-CG2 3.89Å; L176-V204 HydrophobicContact CD2-CG1 4.08Å; L176-A330 PolarHBondContact N-O 3.35Å; L176-L332 HydrophobicContact CB-CB 4.3Å; L176-L332 HydrophobicContact CB-CD1 4.36Å; L176-L332 HydrophobicContact CD1-CD1 4.01Å
177	H	98.5	Very high	98.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.125	C	C	.	.			trans	-80.6	129.7	179.1	-162.9	-65.2	0	0	0	110.2	L147 L166 A167 H168	L147-H177 PolarHBondContact N-NE2 2.88Å; L147-H177 PolarHBondContact O-CE1 3.39Å; L147-H177 PolarHBondContact O-NE2 3.11Å; L166-H177 HydrophobicContact CD2-CB 4.19Å; A167-H177 WeakPolarHBondContact O-CB 3.41Å; H168-H177 PolarHBondContact CD2-O 2.8Å; H168-H177 PolarHBondContact O-N 3.11Å
178	P	96.8	Very high	98.4	Very high	57 Å²	57	28.2 Å²	28.2	37%	0.37	15%	0.153	S	C	.	.			trans	-62	137.5	171.8	-21.3	33.2	0	0	0	111.5	Y146 I182	Y146-P178 HydrophobicContact CD2-CG 4.06Å; Y146-P178 HydrophobicContact CE2-CG 3.98Å; P178-I182 VanDerWaalsContact O-CD1 3.31Å; P178-I182 WeakPolarHBondContact O-CD1 3.24Å
179	L	97.6	Very high	98.4	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	16%	0.157	C	C	.	.			trans	-106.7	-21.7	-178.8	-68.5	179.1	0	0	0	114.2	L166 H168 G181 I182 V195 L206 I213	L166-L179 HydrophobicContact CD2-CD2 3.29Å; H168-L179 HydrophobicContact CB-CD1 4.17Å; H168-L179 HydrophobicContact CB-CD2 4.47Å; H168-L179 WeakPolarHBondContact CD2-CD1 3.36Å; H168-L179 VanDerWaalsContact CD2-CG 3.5Å; H168-L179 WeakPolarHBondContact CD2-CG 3.48Å; L179-G181 PolarHBondContact O-N 3.24Å; L179-I182 WeakPolarHBondContact O-CB 3.29Å; L179-I182 PolarHBondContact O-N 3.16Å; L179-I182 VanDerWaalsContact O-N 3.14Å; L179-V195 HydrophobicContact CD1-CG1 4.4Å; L179-V195 HydrophobicContact CD2-CG1 4.4Å; L179-V195 HydrophobicContact CD2-CG2 4.29Å; L179-L206 HydrophobicContact CD1-CD1 4.05Å; L179-L206 HydrophobicContact CD1-CG 4.34Å; L179-I213 HydrophobicContact CD1-CD1 4.11Å
180	D	98	Very high	98.4	Very high	117 Å²	117	34.8 Å²	34.8	63%	0.626	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	130.5	-169.7	-64.7	-16.7	0	0	0	112.2	N149 I182 Q211	N149-D180 PolarHBondContact ND2-O 2.99Å; D180-I182 VanDerWaalsContact C-N 3.29Å; D180-I182 PolarHBondContact O-N 2.95Å; D180-Q211 PolarHBondContact OD1-NE2 3.11Å
181	G	98.3	Very high	98.4	Very high	30 Å²	30	34.8 Å²	34.8	31%	0.309	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-15.3	-179	0	0	0	0	0	115.3	L179 N184 L185	L179-G181 PolarHBondContact O-N 3.24Å; G181-N184 PolarHBondContact O-N 3.26Å; G181-L185 WeakPolarHBondContact O-CG 3.32Å; G181-L185 PolarHBondContact O-N 2.75Å
182	I	98.7	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-42.5	-178.3	-60.6	179	0	0	0	111.4	N149 I152 F164 L166 P178 L179 D180 N184 L185 C186 L193	N149-I182 WeakPolarHBondContact OD1-CG1 3.4Å; I152-I182 HydrophobicContact CD1-CD1 3.69Å; I152-I182 HydrophobicContact CD1-CG1 4.12Å; F164-I182 HydrophobicContact CD1-CG2 4.13Å; F164-I182 HydrophobicContact CE1-CG2 3.84Å; L166-I182 HydrophobicContact CD1-CD1 4.25Å; P178-I182 VanDerWaalsContact O-CD1 3.31Å; P178-I182 WeakPolarHBondContact O-CD1 3.24Å; L179-I182 WeakPolarHBondContact O-CB 3.29Å; L179-I182 PolarHBondContact O-N 3.16Å; L179-I182 VanDerWaalsContact O-N 3.14Å; D180-I182 VanDerWaalsContact C-N 3.29Å; D180-I182 PolarHBondContact O-N 2.95Å; I182-N184 PolarHBondContact O-N 2.79Å; I182-L185 WeakPolarHBondContact O-CB 3.48Å; I182-L185 PolarHBondContact O-N 3.17Å; I182-L185 VanDerWaalsContact O-N 3.13Å; I182-C186 PolarHBondContact O-N 3.37Å; I182-L193 HydrophobicContact CB-CD2 4.34Å; I182-L193 HydrophobicContact CG2-CD1 3.92Å; I182-L193 HydrophobicContact CG2-CD2 3.98Å
183	G	98.8	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.1	-47.7	177	0	0	0	0	0	112.2	L185 C186 H187 G212	G183-L185 VanDerWaalsContact C-N 3.31Å; G183-L185 PolarHBondContact O-N 2.94Å; G183-C186 PolarHBondContact O-N 3.48Å; G183-H187 PolarHBondContact O-CD2 2.6Å; G183-H187 VanDerWaalsContact O-CG 3.25Å; G183-H187 PolarHBondContact O-N 2.95Å; G183-G212 WeakPolarHBondContact CA-O 3.46Å
184	N	98.7	Very high	98.5	Very high	117 Å²	117	35 Å²	35	63%	0.626	19%	0.187	S	C	*	.	H	α-helix	trans	-60	-39.9	175.7	-68.2	-23.2	0	0	0	112.5	G181 I182 K188	G181-N184 PolarHBondContact O-N 3.26Å; I182-N184 PolarHBondContact O-N 2.79Å; N184-K188 WeakPolarHBondContact O-CB 3.3Å; N184-K188 PolarHBondContact O-N 3.03Å
185	L	98.6	Very high	98.5	Very high	24 Å²	24	34.9 Å²	34.9	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-49.9	174.3	-72.1	174.5	0	0	0	111	N149 E153 L156 G181 I182 G183 H187 K188 Y189	N149-L185 HydrophobicContact CB-CD1 3.87Å; E153-L185 HydrophobicContact CB-CD1 4.33Å; E153-L185 HydrophobicContact CB-CD2 4.16Å; E153-L185 HydrophobicContact CG-CD2 4.15Å; L156-L185 HydrophobicContact CD1-CB 4.07Å; G181-L185 WeakPolarHBondContact O-CG 3.32Å; G181-L185 PolarHBondContact O-N 2.75Å; I182-L185 WeakPolarHBondContact O-CB 3.48Å; I182-L185 PolarHBondContact O-N 3.17Å; I182-L185 VanDerWaalsContact O-N 3.13Å; G183-L185 VanDerWaalsContact C-N 3.31Å; G183-L185 PolarHBondContact O-N 2.94Å; L185-H187 VanDerWaalsContact C-N 3.31Å; L185-H187 PolarHBondContact O-N 2.81Å; L185-K188 WeakPolarHBondContact O-CB 3.5Å; L185-K188 PolarHBondContact O-N 3.37Å; L185-Y189 VanDerWaalsContact O-CD2 3.27Å; L185-Y189 WeakPolarHBondContact O-CD2 3.48Å; L185-Y189 PolarHBondContact O-N 3.17Å
186	C	98.9	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.8	-47.6	176.7	-73.5	0	0	0	0	111.5	I182 G183 K188 Y189 D190 C191 L193	I182-C186 PolarHBondContact O-N 3.37Å; G183-C186 PolarHBondContact O-N 3.48Å; C186-K188 PolarHBondContact O-N 2.85Å; C186-Y189 CarbonylContact O-C 3.57Å; C186-Y189 PolarHBondContact O-N 2.95Å; C186-D190 PolarHBondContact O-N 2.91Å; C186-C191 CarbonylContact C-O 3.01Å; C186-C191 VanDerWaalsContact C-O 3.31Å; C186-C191 HydrophobicContact CB-CB 4.15Å; C186-C191 WeakPolarHBondContact CB-O 3.35Å; C186-C191 WeakPolarHBondContact O-CB 3.4Å; C186-C191 PolarHBondContact O-N 3.5Å; C186-L193 HydrophobicContact CB-CB 4.22Å
187	H	98.8	Very high	98.6	Very high	67 Å²	67	33.7 Å²	33.7	31%	0.31	18%	0.179	S	C	.	.	H	α-helix	trans	-64.1	-37.1	-179.4	-63.8	173.2	0	0	0	113	G183 L185 Y189 D190 G212 D214	G183-H187 PolarHBondContact O-CD2 2.6Å; G183-H187 VanDerWaalsContact O-CG 3.25Å; G183-H187 PolarHBondContact O-N 2.95Å; L185-H187 VanDerWaalsContact C-N 3.31Å; L185-H187 PolarHBondContact O-N 2.81Å; H187-Y189 PolarHBondContact O-N 2.9Å; H187-D190 PolarHBondContact O-N 2.78Å; H187-G212 PolarHBondContact NE2-O 3.35Å; H187-D214 IonicContact CD2-OD2 3.17Å; H187-D214 PolarHBondContact CD2-OD2 3.15Å; H187-D214 IonicContact NE2-OD1 3.02Å; H187-D214 PolarHBondContact NE2-OD1 3.15Å; H187-D214 IonicContact NE2-OD2 3.82Å; H187-D214 PolarHBondContact NE2-OD2 2.85Å
188	K	98.6	Very high	98.6	Very high	132 Å²	132	34.3 Å²	34.3	57%	0.574	18%	0.183	S	C	*	.	H	α-helix	trans	-56.2	-30.9	172.8	173.7	-176.3	171	-172.9	0	112.6	E153 N184 L185 C186	E153-K188 IonicContact OE1-NZ 3.88Å; E153-K188 PolarHBondContact OE1-NZ 2.92Å; N184-K188 WeakPolarHBondContact O-CB 3.3Å; N184-K188 PolarHBondContact O-N 3.03Å; L185-K188 WeakPolarHBondContact O-CB 3.5Å; L185-K188 PolarHBondContact O-N 3.37Å; C186-K188 PolarHBondContact O-N 2.85Å
189	Y	98.6	Very high	98.7	Very high	34 Å²	34	31.6 Å²	31.6	13%	0.133	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	14.7	-180	-68.2	-85.4	0	0	0	113.5	E153 L156 S157 L185 C186 H187 C191	E153-Y189 HydrophobicContact CG-CE2 3.92Å; E153-Y189 PolarHBondContact OE1-OH 2.84Å; L156-Y189 HydrophobicContact CB-CD2 3.87Å; L156-Y189 HydrophobicContact CB-CE2 4.42Å; L156-Y189 HydrophobicContact CB-CG 3.99Å; L156-Y189 HydrophobicContact CD1-CD2 4.27Å; S157-Y189 VanDerWaalsContact CA-CE1 3.46Å; S157-Y189 VanDerWaalsContact CB-CE1 3.45Å; L185-Y189 VanDerWaalsContact O-CD2 3.27Å; L185-Y189 WeakPolarHBondContact O-CD2 3.48Å; L185-Y189 PolarHBondContact O-N 3.17Å; C186-Y189 CarbonylContact O-C 3.57Å; C186-Y189 PolarHBondContact O-N 2.95Å; H187-Y189 PolarHBondContact O-N 2.9Å; Y189-C191 PolarHBondContact O-N 2.84Å
190	D	98.4	Very high	98.7	Very high	113 Å²	113	31.4 Å²	31.4	60%	0.604	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	30.7	-175.8	-159.3	41.2	0	0	0	113.5	C186 H187 R238	C186-D190 PolarHBondContact O-N 2.91Å; H187-D190 PolarHBondContact O-N 2.78Å; D190-R238 VanDerWaalsContact CA-NH2 3.32Å; D190-R238 PolarHBondContact O-NH2 3.41Å; D190-R238 IonicContact OD1-CZ 2.68Å; D190-R238 IonicContact OD1-NH1 2.83Å; D190-R238 PolarHBondContact OD1-NH1 3.5Å; D190-R238 IonicContact OD1-NH2 2.8Å; D190-R238 PolarHBondContact OD1-NH2 3.05Å
191	C	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-100	141.9	178.2	-175.5	0	0	0	0	110.7	L156 P161 L163 F164 C186 Y189	L156-C191 HydrophobicContact CD2-CB 4.08Å; P161-C191 HydrophobicContact CG-CB 4.5Å; P161-C191 VanDerWaalsContact O-CB 3.27Å; P161-C191 WeakPolarHBondContact O-CB 3.44Å; P161-C191 PolarHBondContact O-SG 2.99Å; L163-C191 VanDerWaalsContact C-SG 3.55Å; F164-C191 PolarHBondContact N-SG 3.42Å; C186-C191 CarbonylContact C-O 3.01Å; C186-C191 VanDerWaalsContact C-O 3.31Å; C186-C191 HydrophobicContact CB-CB 4.15Å; C186-C191 WeakPolarHBondContact CB-O 3.35Å; C186-C191 WeakPolarHBondContact O-CB 3.4Å; C186-C191 PolarHBondContact O-N 3.5Å; Y189-C191 PolarHBondContact O-N 2.84Å
192	L	98.9	Very high	98.8	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.2	169.7	-64.9	171.8	0	0	0	110.8	T106 V162 L163 F164 D214 R238 A239 K242	T106-L192 HydrophobicContact CG2-CD1 3.42Å; T106-L192 VanDerWaalsContact CG2-CD1 3.42Å; V162-L192 PolarHBondContact O-N 2.96Å; L163-L192 CarbonylContact C-O 3.31Å; L163-L192 WeakPolarHBondContact CA-O 3.47Å; L163-L192 HydrophobicContact CD1-CB 3.8Å; F164-L192 PolarHBondContact N-O 3.25Å; L192-D214 WeakPolarHBondContact CA-OD2 3.36Å; L192-D214 HydrophobicContact CB-CB 4.14Å; L192-D214 HydrophobicContact CD2-CB 3.81Å; L192-R238 HydrophobicContact CD2-CB 4.23Å; L192-R238 HydrophobicContact CD2-CG 3.74Å; L192-A239 HydrophobicContact CD1-CB 4.44Å; L192-A239 HydrophobicContact CD2-CB 4.39Å; L192-K242 HydrophobicContact CD1-CB 3.89Å; L192-K242 HydrophobicContact CD1-CG 3.89Å
193	L	98.9	Very high	98.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.5	173.6	177	58.9	0	0	0	111.5	F164 I182 C186 V195 I213 D214 I215	F164-L193 HydrophobicContact CD1-CD1 3.81Å; F164-L193 HydrophobicContact CE1-CD1 4.37Å; I182-L193 HydrophobicContact CB-CD2 4.34Å; I182-L193 HydrophobicContact CG2-CD1 3.92Å; I182-L193 HydrophobicContact CG2-CD2 3.98Å; C186-L193 HydrophobicContact CB-CB 4.22Å; L193-V195 HydrophobicContact CD1-CG2 3.96Å; L193-V195 HydrophobicContact CD2-CG2 4.17Å; L193-V195 HydrophobicContact CG-CG2 3.85Å; L193-I213 HydrophobicContact CD2-CG1 3.96Å; L193-D214 PolarHBondContact N-OD2 3.39Å; L193-D214 WeakPolarHBondContact O-CB 3.45Å; L193-D214 PolarHBondContact O-N 3.36Å; L193-I215 PolarHBondContact O-N 3.14Å
194	L	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.4	171.7	168.3	61.3	0	0	0	110.6	A102 I103 L163 F164 F165 L166 I215 Y217	A102-L194 HydrophobicContact CB-CD1 3.63Å; A102-L194 HydrophobicContact CB-CD2 3.82Å; A102-L194 HydrophobicContact CB-CG 4.41Å; I103-L194 HydrophobicContact CG1-CD2 4.06Å; L163-L194 HydrophobicContact CD1-CB 3.76Å; L163-L194 HydrophobicContact CD2-CD2 4.03Å; L163-L194 HydrophobicContact CG-CB 4.28Å; F164-L194 PolarHBondContact O-N 2.82Å; F165-L194 WeakPolarHBondContact CA-O 3.21Å; F165-L194 HydrophobicContact CD2-CD2 3.81Å; F165-L194 HydrophobicContact CD2-CG 3.87Å; L166-L194 PolarHBondContact N-O 3.36Å; L194-I215 CarbonylContact C-O 3.49Å; L194-I215 WeakPolarHBondContact CA-O 3.39Å; L194-I215 HydrophobicContact CB-CB 4.4Å; L194-I215 HydrophobicContact CD1-CB 3.73Å; L194-I215 HydrophobicContact CD1-CG2 3.61Å; L194-Y217 HydrophobicContact CD1-CD1 3.85Å; L194-Y217 HydrophobicContact CD1-CE1 3.92Å
195	V	98.9	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.2	-178.8	177.7	0	0	0	0	112	L166 H168 L179 L193 I213 I215 L216 Y217	L166-V195 WeakPolarHBondContact O-CA 3.32Å; H168-V195 HydrophobicContact CB-CG1 3.74Å; L179-V195 HydrophobicContact CD1-CG1 4.4Å; L179-V195 HydrophobicContact CD2-CG1 4.4Å; L179-V195 HydrophobicContact CD2-CG2 4.29Å; L193-V195 HydrophobicContact CD1-CG2 3.96Å; L193-V195 HydrophobicContact CD2-CG2 4.17Å; L193-V195 HydrophobicContact CG-CG2 3.85Å; V195-I213 HydrophobicContact CB-CD1 4.37Å; V195-I213 HydrophobicContact CB-CG2 4.04Å; V195-I213 HydrophobicContact CG2-CD1 4Å; V195-I213 HydrophobicContact CG2-CG1 4.05Å; V195-I213 HydrophobicContact CG2-CG2 3.84Å; V195-I215 PolarHBondContact N-O 3.25Å; V195-L216 HydrophobicContact CB-CD1 3.86Å; V195-L216 HydrophobicContact CG1-CD1 3.88Å; V195-Y217 PolarHBondContact O-N 3.48Å
196	D	98.9	Very high	98.8	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.027	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	115.1	162.7	-173.5	-41.7	0	0	0	109.1	F165 L166 A167 H168 V198 Y217	F165-D196 HydrophobicContact CE2-CB 4.03Å; F165-D196 HydrophobicContact CZ-CB 3.83Å; L166-D196 PolarHBondContact O-N 2.79Å; A167-D196 HydrophobicContact CB-CB 4.29Å; H168-D196 WeakPolarHBondContact CB-O 3.33Å; H168-D196 PolarHBondContact N-O 2.94Å; D196-V198 VanDerWaalsContact OD1-CB 3.22Å; D196-V198 WeakPolarHBondContact OD1-CB 3.37Å; D196-V198 WeakPolarHBondContact OD1-CG2 3.26Å; D196-V198 PolarHBondContact OD1-N 3.42Å; D196-Y217 HydrophobicContact CB-CE1 4.02Å; D196-Y217 HydrophobicContact CB-CE2 4.16Å; D196-Y217 WeakPolarHBondContact CB-OH 3.48Å; D196-Y217 VanDerWaalsContact CG-CZ 3.49Å; D196-Y217 WeakPolarHBondContact OD2-CE2 3.49Å; D196-Y217 VanDerWaalsContact OD2-CZ 3.28Å; D196-Y217 PolarHBondContact OD2-OH 2.93Å
197	S	98.9	Very high	98.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.			trans	-113.4	12.6	175.2	73.5	0	0	0	0	113.9	A199 S200 I201 Y217	S197-A199 VanDerWaalsContact C-N 3.27Å; S197-A199 PolarHBondContact O-N 3.28Å; S197-A199 VanDerWaalsContact O-N 3.11Å; S197-S200 VanDerWaalsContact CA-OG 3.28Å; S197-S200 WeakPolarHBondContact CA-OG 3.27Å; S197-S200 WeakPolarHBondContact CB-OG 3.28Å; S197-S200 PolarHBondContact O-N 3.17Å; S197-S200 PolarHBondContact O-OG 3.05Å; S197-S200 VanDerWaalsContact O-OG 3.05Å; S197-I201 PolarHBondContact O-N 2.96Å; S197-Y217 PolarHBondContact N-O 2.98Å; S197-Y217 PolarHBondContact OG-O 3.41Å
198	V	98.9	Very high	98.8	Very high	14 Å²	14	21.5 Å²	21.5	9%	0.085	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-47.5	-172.9	172.4	0	0	0	0	112	D196 Y217 T218 K222	D196-V198 VanDerWaalsContact OD1-CB 3.22Å; D196-V198 WeakPolarHBondContact OD1-CB 3.37Å; D196-V198 WeakPolarHBondContact OD1-CG2 3.26Å; D196-V198 PolarHBondContact OD1-N 3.42Å; V198-Y217 HydrophobicContact CG2-CD2 3.88Å; V198-Y217 HydrophobicContact CG2-CE2 3.61Å; V198-T218 WeakPolarHBondContact CA-OG1 3.01Å; V198-K222 HydrophobicContact CG1-CG 3.77Å; V198-K222 WeakPolarHBondContact O-CB 3.35Å; V198-K222 WeakPolarHBondContact O-CG 3.47Å
199	A	98.8	Very high	98.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.9	-177.6	0	0	0	0	0	114.3	S197 L332 T334	S197-A199 VanDerWaalsContact C-N 3.27Å; S197-A199 PolarHBondContact O-N 3.28Å; S197-A199 VanDerWaalsContact O-N 3.11Å; A199-L332 HydrophobicContact CB-CD2 4.2Å; A199-T334 VanDerWaalsContact O-CB 3.3Å; A199-T334 WeakPolarHBondContact O-CB 3.38Å; A199-T334 PolarHBondContact O-OG1 2.88Å
200	S	98.8	Very high	98.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-45.5	-170.4	60.8	0	0	0	0	113.4	H168 S197 G202 G203 V204	H168-S200 VanDerWaalsContact ND1-CB 3.27Å; H168-S200 WeakPolarHBondContact ND1-CB 3.38Å; H168-S200 PolarHBondContact ND1-OG 2.87Å; S197-S200 VanDerWaalsContact CA-OG 3.28Å; S197-S200 WeakPolarHBondContact CA-OG 3.27Å; S197-S200 WeakPolarHBondContact CB-OG 3.28Å; S197-S200 PolarHBondContact O-N 3.17Å; S197-S200 PolarHBondContact O-OG 3.05Å; S197-S200 VanDerWaalsContact O-OG 3.05Å; S200-G202 PolarHBondContact O-N 3.32Å; S200-G203 WeakPolarHBondContact O-CA 3.48Å; S200-G203 PolarHBondContact O-N 2.97Å; S200-V204 WeakPolarHBondContact O-CG2 3.45Å; S200-V204 PolarHBondContact O-N 2.97Å
201	I	98.8	Very high	98.8	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-58.7	139.5	-168.6	-160.1	78.9	0	0	0	111.6	L80 F81 S197 G203 L206 T218 V223	L80-I201 HydrophobicContact CD1-CG1 3.64Å; L80-I201 HydrophobicContact CD1-CG2 4.4Å; L80-I201 HydrophobicContact CD2-CG1 4.25Å; L80-I201 HydrophobicContact CD2-CG2 4.3Å; L80-I201 HydrophobicContact CG-CG1 3.69Å; F81-I201 HydrophobicContact CD1-CD1 3.91Å; F81-I201 HydrophobicContact CD1-CG1 3.89Å; F81-I201 HydrophobicContact CE1-CD1 4.35Å; F81-I201 HydrophobicContact CE1-CG1 4.01Å; S197-I201 PolarHBondContact O-N 2.96Å; I201-G203 PolarHBondContact O-N 2.81Å; I201-L206 HydrophobicContact CD1-CB 3.74Å; I201-L206 HydrophobicContact CD1-CD1 3.81Å; I201-L206 HydrophobicContact CD1-CD2 3.69Å; I201-L206 HydrophobicContact CD1-CG 3.94Å; I201-T218 HydrophobicContact CG2-CG2 3.84Å; I201-T218 WeakPolarHBondContact CG2-OG1 3.42Å; I201-V223 WeakPolarHBondContact O-CB 3.43Å; I201-V223 WeakPolarHBondContact O-CG2 3.39Å
202	G	98.7	Very high	98.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-19.9	-174	0	0	0	0	0	114.3	S200 S301	S200-G202 PolarHBondContact O-N 3.32Å; G202-S301 WeakPolarHBondContact O-CB 3.38Å; G202-S301 PolarHBondContact O-OG 3.2Å
203	G	98.7	Very high	98.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-16.3	176.4	0	0	0	0	0	114.5	S200 I201 H305	S200-G203 WeakPolarHBondContact O-CA 3.48Å; S200-G203 PolarHBondContact O-N 2.97Å; I201-G203 PolarHBondContact O-N 2.81Å; G203-H305 WeakPolarHBondContact O-CB 3.37Å
204	V	98.8	Very high	98.8	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.03	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-141	158	174.5	-67.1	0	0	0	0	110.7	H168 L176 S200 L206 W302 P333	H168-V204 VanDerWaalsContact CE1-CG2 3.49Å; H168-V204 WeakPolarHBondContact CE1-CG2 3.43Å; L176-V204 HydrophobicContact CD1-CB 4.4Å; L176-V204 HydrophobicContact CD1-CG1 4.22Å; L176-V204 HydrophobicContact CD1-CG2 3.89Å; L176-V204 HydrophobicContact CD2-CG1 4.08Å; S200-V204 WeakPolarHBondContact O-CG2 3.45Å; S200-V204 PolarHBondContact O-N 2.97Å; V204-L206 PolarHBondContact O-N 2.71Å; V204-W302 PolarHBondContact O-NE1 3.31Å; V204-P333 HydrophobicContact CG1-CB 4.42Å; V204-P333 HydrophobicContact CG1-CG 3.63Å
205	P	98.8	Very high	98.8	Very high	67 Å²	67	20.8 Å²	20.8	44%	0.435	11%	0.108	S	C	.	.			trans	-56.3	134.3	172.9	-23.9	34.4	0	0	0	112.2	Y207 W302	P205-Y207 HydrophobicContact CB-CE2 3.9Å; P205-W302 HydrophobicContact CB-CD2 4.34Å; P205-W302 HydrophobicContact CB-CE3 4.11Å; P205-W302 HydrophobicContact CB-CH2 4.43Å; P205-W302 HydrophobicContact CB-CZ3 4.18Å; P205-W302 HydrophobicContact CG-CD2 4.09Å; P205-W302 HydrophobicContact CG-CE3 3.88Å; P205-W302 HydrophobicContact CG-CG 4.44Å; P205-W302 HydrophobicContact CG-CZ3 4.41Å
206	L	98.8	Very high	98.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.108	C	C	.	.			trans	-155.4	133.2	171.5	-173.5	152.9	0	0	0	107.9	L179 I201 V204 M208 I213 L216	L179-L206 HydrophobicContact CD1-CD1 4.05Å; L179-L206 HydrophobicContact CD1-CG 4.34Å; I201-L206 HydrophobicContact CD1-CB 3.74Å; I201-L206 HydrophobicContact CD1-CD1 3.81Å; I201-L206 HydrophobicContact CD1-CD2 3.69Å; I201-L206 HydrophobicContact CD1-CG 3.94Å; V204-L206 PolarHBondContact O-N 2.71Å; L206-M208 HydrophobicContact CD2-CB 4.45Å; L206-I213 HydrophobicContact CD2-CD1 4.28Å; L206-I213 HydrophobicContact CG-CD1 4.47Å; L206-L216 HydrophobicContact CD1-CD1 4.09Å; L206-L216 HydrophobicContact CD2-CD1 4.37Å; L206-L216 HydrophobicContact CD2-CD2 3.44Å; L206-L216 VanDerWaalsContact CD2-CD2 3.44Å
207	Y	98.9	Very high	98.8	Very high	68 Å²	68	20.5 Å²	20.5	27%	0.267	11%	0.107	S	C	.	.			trans	-132.4	89.5	-176.7	-52.2	-86.9	0	0	0	109.8	Q82 P205 D209 Q210 Q211 W302	Q82-Y207 HydrophobicContact CB-CD1 4.16Å; Q82-Y207 HydrophobicContact CG-CD1 3.99Å; P205-Y207 HydrophobicContact CB-CE2 3.9Å; Y207-D209 PolarHBondContact O-N 3.3Å; Y207-Q210 PolarHBondContact O-N 2.93Å; Y207-Q211 VanDerWaalsContact O-CB 3.24Å; Y207-Q211 WeakPolarHBondContact O-CB 3.33Å; Y207-Q211 WeakPolarHBondContact O-CG 3.45Å; Y207-Q211 PolarHBondContact O-N 3.3Å; Y207-Q211 PolarHBondContact O-OE1 3.37Å; Y207-W302 AromaticContact CE1-CH2 3.73Å; Y207-W302 HydrophobicContact CE1-CH2 3.73Å; Y207-W302 HydrophobicContact CE1-CZ3 4.22Å; Y207-W302 AromaticContact CZ-CH2 3.71Å; Y207-W302 AromaticContact CZ-CZ3 3.85Å; Y207-W302 WeakPolarHBondContact OH-CZ3 3.49Å
208	M	98.9	Very high	98.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-53.9	-169	-178.5	-178.8	178.3	0	0	112.8	F81 T83 N85 L206 G212 I213 L216 S234	F81-M208 HydrophobicContact CB-CB 4.41Å; F81-M208 HydrophobicContact CD2-SD 4.41Å; F81-M208 WeakPolarHBondContact O-CB 3.29Å; F81-M208 PolarHBondContact O-N 2.63Å; T83-M208 HydrophobicContact CG2-SD 4Å; N85-M208 WeakPolarHBondContact ND2-CE 3.49Å; L206-M208 HydrophobicContact CD2-CB 4.45Å; M208-G212 PolarHBondContact O-N 3.09Å; M208-I213 WeakPolarHBondContact CE-O 3.23Å; M208-I213 HydrophobicContact CG-CB 3.98Å; M208-I213 HydrophobicContact CG-CG2 4.31Å; M208-I213 PolarHBondContact O-N 2.9Å; M208-L216 HydrophobicContact CB-CD2 3.86Å; M208-L216 HydrophobicContact CE-CB 4.01Å; M208-L216 HydrophobicContact CG-CB 4.17Å; M208-L216 HydrophobicContact CG-CD2 4.03Å; M208-L216 HydrophobicContact SD-CB 3.78Å; M208-L216 HydrophobicContact SD-CD2 4.1Å; M208-S234 WeakPolarHBondContact CE-OG 3.34Å; M208-S234 PolarHBondContact SD-OG 3.17Å
209	D	98.9	Very high	98.8	Very high	69 Å²	69	20 Å²	20	37%	0.369	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-43.1	-176.4	-71.2	-4.9	0	0	0	111.5	Q82 T83 Q84 N85 Y207 Q211 G212	Q82-D209 PolarHBondContact O-N 2.95Å; T83-D209 WeakPolarHBondContact CA-OD2 3.05Å; T83-D209 PolarHBondContact OG1-OD1 2.97Å; Q84-D209 PolarHBondContact N-OD2 3.11Å; N85-D209 PolarHBondContact ND2-OD1 2.7Å; N85-D209 VanDerWaalsContact ND2-OD1 3.16Å; Y207-D209 PolarHBondContact O-N 3.3Å; D209-Q211 VanDerWaalsContact C-N 3.33Å; D209-Q211 PolarHBondContact O-N 3.5Å; D209-G212 PolarHBondContact O-N 3.38Å
210	Q	98.8	Very high	98.8	Very high	156 Å²	156	19.9 Å²	19.9	73%	0.729	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-33.7	-178.4	-63.5	-179.8	-3.7	0	0	112.5	Y207 G212	Y207-Q210 PolarHBondContact O-N 2.93Å; Q210-G212 VanDerWaalsContact C-N 3.28Å
211	Q	98.8	Very high	98.8	Very high	24 Å²	24	21.3 Å²	21.3	11%	0.112	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	1.1	179.3	-65.5	177.8	-58.1	0	0	112.7	D180 Y207 D209 I213	D180-Q211 PolarHBondContact OD1-NE2 3.11Å; Y207-Q211 VanDerWaalsContact O-CB 3.24Å; Y207-Q211 WeakPolarHBondContact O-CB 3.33Å; Y207-Q211 WeakPolarHBondContact O-CG 3.45Å; Y207-Q211 PolarHBondContact O-N 3.3Å; Y207-Q211 PolarHBondContact O-OE1 3.37Å; D209-Q211 VanDerWaalsContact C-N 3.33Å; D209-Q211 PolarHBondContact O-N 3.5Å; Q211-I213 VanDerWaalsContact C-N 3.32Å; Q211-I213 HydrophobicContact CB-CD1 4.24Å; Q211-I213 HydrophobicContact CB-CG1 4.15Å; Q211-I213 PolarHBondContact O-N 2.99Å
212	G	98.8	Very high	98.8	Very high	12 Å²	12	21.9 Å²	21.9	12%	0.124	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	33.7	177.8	0	0	0	0	0	113.3	G183 H187 M208 D209 Q210	G183-G212 WeakPolarHBondContact CA-O 3.46Å; H187-G212 PolarHBondContact NE2-O 3.35Å; M208-G212 PolarHBondContact O-N 3.09Å; D209-G212 PolarHBondContact O-N 3.38Å; Q210-G212 VanDerWaalsContact C-N 3.28Å
213	I	98.9	Very high	98.8	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	11%	0.114	C	C	.	.			trans	-80.5	123.4	177.8	-60.1	172.4	0	0	0	108.8	L179 L193 V195 L206 M208 Q211 I215 L216	L179-I213 HydrophobicContact CD1-CD1 4.11Å; L193-I213 HydrophobicContact CD2-CG1 3.96Å; V195-I213 HydrophobicContact CB-CD1 4.37Å; V195-I213 HydrophobicContact CB-CG2 4.04Å; V195-I213 HydrophobicContact CG2-CD1 4Å; V195-I213 HydrophobicContact CG2-CG1 4.05Å; V195-I213 HydrophobicContact CG2-CG2 3.84Å; L206-I213 HydrophobicContact CD2-CD1 4.28Å; L206-I213 HydrophobicContact CG-CD1 4.47Å; M208-I213 WeakPolarHBondContact CE-O 3.23Å; M208-I213 HydrophobicContact CG-CB 3.98Å; M208-I213 HydrophobicContact CG-CG2 4.31Å; M208-I213 PolarHBondContact O-N 2.9Å; Q211-I213 VanDerWaalsContact C-N 3.32Å; Q211-I213 HydrophobicContact CB-CD1 4.24Å; Q211-I213 HydrophobicContact CB-CG1 4.15Å; Q211-I213 PolarHBondContact O-N 2.99Å; I213-I215 WeakPolarHBondContact CG2-O 3.18Å; I213-L216 HydrophobicContact CG2-CB 3.96Å
214	D	98.9	Very high	98.8	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	-83.2	-37.2	-177.8	-69	-68.5	0	0	0	112.9	H187 L192 L193 F235 S236 A239	H187-D214 IonicContact CD2-OD2 3.17Å; H187-D214 PolarHBondContact CD2-OD2 3.15Å; H187-D214 IonicContact NE2-OD1 3.02Å; H187-D214 PolarHBondContact NE2-OD1 3.15Å; H187-D214 IonicContact NE2-OD2 3.82Å; H187-D214 PolarHBondContact NE2-OD2 2.85Å; L192-D214 WeakPolarHBondContact CA-OD2 3.36Å; L192-D214 HydrophobicContact CB-CB 4.14Å; L192-D214 HydrophobicContact CD2-CB 3.81Å; L193-D214 PolarHBondContact N-OD2 3.39Å; L193-D214 WeakPolarHBondContact O-CB 3.45Å; L193-D214 PolarHBondContact O-N 3.36Å; D214-F235 CarbonylContact O-C 3.11Å; D214-F235 WeakPolarHBondContact O-CA 3.38Å; D214-S236 WeakPolarHBondContact CA-OG 3.41Å; D214-S236 WeakPolarHBondContact O-CB 3.25Å; D214-S236 PolarHBondContact O-N 3.32Å; D214-S236 PolarHBondContact O-OG 2.86Å; D214-S236 PolarHBondContact OD1-OG 2.74Å; D214-A239 HydrophobicContact CB-CB 4.32Å
215	I	99	Very high	98.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.5	178.6	-49.7	172.2	0	0	0	108.1	A102 T106 L163 L193 L194 V195 I213 I233 S234 F235 A239	A102-I215 HydrophobicContact CB-CG2 3.83Å; T106-I215 HydrophobicContact CG2-CD1 4.02Å; T106-I215 WeakPolarHBondContact OG1-CD1 3.28Å; L163-I215 HydrophobicContact CD1-CD1 4.34Å; L193-I215 PolarHBondContact O-N 3.14Å; L194-I215 CarbonylContact C-O 3.49Å; L194-I215 WeakPolarHBondContact CA-O 3.39Å; L194-I215 HydrophobicContact CB-CB 4.4Å; L194-I215 HydrophobicContact CD1-CB 3.73Å; L194-I215 HydrophobicContact CD1-CG2 3.61Å; V195-I215 PolarHBondContact N-O 3.25Å; I213-I215 WeakPolarHBondContact CG2-O 3.18Å; I215-I233 HydrophobicContact CG2-CD1 4.32Å; I215-I233 HydrophobicContact CG2-CG1 4.38Å; I215-S234 WeakPolarHBondContact CA-O 3.44Å; I215-F235 HydrophobicContact CB-CD1 4.47Å; I215-F235 HydrophobicContact CD1-CD1 3.92Å; I215-F235 HydrophobicContact CD1-CE1 3.93Å; I215-F235 HydrophobicContact CG1-CD1 3.78Å; I215-F235 HydrophobicContact CG1-CE1 4.17Å; I215-F235 HydrophobicContact CG2-CD1 3.94Å; I215-F235 HydrophobicContact CG2-CE1 3.8Å; I215-F235 HydrophobicContact CG2-CG 4.45Å; I215-F235 HydrophobicContact CG2-CZ 4.2Å; I215-A239 HydrophobicContact CD1-CB 4.07Å; I215-A239 HydrophobicContact CG1-CB 3.66Å
216	L	99	Very high	98.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.6	-179	-179.1	65.6	0	0	0	109.3	F81 V195 L206 M208 I213 I233 S234	F81-L216 HydrophobicContact CB-CD2 3.82Å; F81-L216 HydrophobicContact CD1-CD2 3.74Å; F81-L216 HydrophobicContact CD1-CG 4.38Å; F81-L216 HydrophobicContact CD2-CB 4.33Å; F81-L216 HydrophobicContact CD2-CD2 3.71Å; F81-L216 HydrophobicContact CD2-CG 4.07Å; F81-L216 HydrophobicContact CE1-CD2 4.19Å; F81-L216 HydrophobicContact CE1-CG 4.35Å; F81-L216 HydrophobicContact CE2-CB 4.31Å; F81-L216 HydrophobicContact CE2-CD2 4.15Å; F81-L216 HydrophobicContact CE2-CG 4.03Å; F81-L216 WeakPolarHBondContact CE2-O 3.42Å; F81-L216 HydrophobicContact CG-CD2 3.48Å; F81-L216 VanDerWaalsContact CG-CD2 3.48Å; F81-L216 HydrophobicContact CG-CG 4.25Å; F81-L216 HydrophobicContact CZ-CD2 4.37Å; F81-L216 HydrophobicContact CZ-CG 4.17Å; V195-L216 HydrophobicContact CB-CD1 3.86Å; V195-L216 HydrophobicContact CG1-CD1 3.88Å; L206-L216 HydrophobicContact CD1-CD1 4.09Å; L206-L216 HydrophobicContact CD2-CD1 4.37Å; L206-L216 HydrophobicContact CD2-CD2 3.44Å; L206-L216 VanDerWaalsContact CD2-CD2 3.44Å; M208-L216 HydrophobicContact CB-CD2 3.86Å; M208-L216 HydrophobicContact CE-CB 4.01Å; M208-L216 HydrophobicContact CG-CB 4.17Å; M208-L216 HydrophobicContact CG-CD2 4.03Å; M208-L216 HydrophobicContact SD-CB 3.78Å; M208-L216 HydrophobicContact SD-CD2 4.1Å; I213-L216 HydrophobicContact CG2-CB 3.96Å; L216-I233 CarbonylContact O-C 3.56Å; L216-I233 VanDerWaalsContact O-CA 3.3Å; L216-I233 WeakPolarHBondContact O-CA 3.43Å; L216-S234 PolarHBondContact N-O 3.41Å; L216-S234 VanDerWaalsContact N-O 3.07Å; L216-S234 PolarHBondContact O-N 2.8Å
217	Y	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.8	172.5	72.4	-88.3	0	0	0	113	A98 M99 F165 L194 V195 D196 S197 V198 P232	A98-Y217 HydrophobicContact CB-CD2 3.81Å; A98-Y217 HydrophobicContact CB-CG 3.9Å; M99-Y217 HydrophobicContact CB-CE1 4.28Å; M99-Y217 HydrophobicContact CB-CE2 4.28Å; M99-Y217 WeakPolarHBondContact CE-OH 3.44Å; M99-Y217 HydrophobicContact CG-CE1 4.46Å; F165-Y217 HydrophobicContact CE2-CE1 4.33Å; L194-Y217 HydrophobicContact CD1-CD1 3.85Å; L194-Y217 HydrophobicContact CD1-CE1 3.92Å; V195-Y217 PolarHBondContact O-N 3.48Å; D196-Y217 HydrophobicContact CB-CE1 4.02Å; D196-Y217 HydrophobicContact CB-CE2 4.16Å; D196-Y217 WeakPolarHBondContact CB-OH 3.48Å; D196-Y217 VanDerWaalsContact CG-CZ 3.49Å; D196-Y217 WeakPolarHBondContact OD2-CE2 3.49Å; D196-Y217 VanDerWaalsContact OD2-CZ 3.28Å; D196-Y217 PolarHBondContact OD2-OH 2.93Å; S197-Y217 PolarHBondContact N-O 2.98Å; S197-Y217 PolarHBondContact OG-O 3.41Å; V198-Y217 HydrophobicContact CG2-CD2 3.88Å; V198-Y217 HydrophobicContact CG2-CE2 3.61Å; Y217-P232 CarbonylContact C-O 3.5Å; Y217-P232 VanDerWaalsContact CA-O 3.23Å; Y217-P232 WeakPolarHBondContact CA-O 3.22Å; Y217-P232 WeakPolarHBondContact CB-O 3.45Å
218	T	98.9	Very high	98.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.122	C	C	.	.			trans	-145.2	-178.7	173	-167.1	0	0	0	0	111.5	L80 F81 V198 I201 A231 P232	L80-T218 HydrophobicContact CD2-CG2 4.36Å; F81-T218 HydrophobicContact CE1-CG2 3.75Å; F81-T218 HydrophobicContact CZ-CG2 3.85Å; V198-T218 WeakPolarHBondContact CA-OG1 3.01Å; I201-T218 HydrophobicContact CG2-CG2 3.84Å; I201-T218 WeakPolarHBondContact CG2-OG1 3.42Å; T218-A231 WeakPolarHBondContact O-CA 3.25Å; T218-A231 WeakPolarHBondContact O-CB 3.35Å; T218-P232 HydrophobicContact CG2-CB 3.8Å; T218-P232 HydrophobicContact CG2-CG 3.71Å; T218-P232 PolarHBondContact N-O 3.08Å
219	G	98.6	Very high	98.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	13%	0.133	C	C	.	.			trans	-121.1	148.2	174	0	0	0	0	0	111.8	Q221	G219-Q221 VanDerWaalsContact C-N 3.27Å; G219-Q221 PolarHBondContact O-N 2.72Å
220	S	98.7	Very high	98.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.8	-178.2	61.7	0	0	0	0	114.5	L224 A226 P227 T230	S220-L224 WeakPolarHBondContact O-CB 3.44Å; S220-A226 CarbonylContact C-O 3.49Å; S220-A226 PolarHBondContact O-N 3.14Å; S220-P227 PolarHBondContact OG-O 2.85Å; S220-T230 VanDerWaalsContact CB-O 3.27Å; S220-T230 WeakPolarHBondContact CB-O 3.29Å; S220-T230 WeakPolarHBondContact CB-OG1 3.29Å; S220-T230 PolarHBondContact N-O 2.71Å; S220-T230 VanDerWaalsContact N-O 3.09Å; S220-T230 PolarHBondContact OG-O 2.8Å
221	Q	98.6	Very high	98.7	Very high	30 Å²	30	12.6 Å²	12.6	14%	0.14	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	10.1	-164.3	80.1	-77	21.3	0	0	116.5	P43 S44 G219 A226 P228	P43-Q221 WeakPolarHBondContact CA-O 3.32Å; P43-Q221 HydrophobicContact CB-CB 3.96Å; P43-Q221 HydrophobicContact CB-CG 4.01Å; S44-Q221 PolarHBondContact N-O 3.27Å; G219-Q221 VanDerWaalsContact C-N 3.27Å; G219-Q221 PolarHBondContact O-N 2.72Å; Q221-A226 WeakPolarHBondContact CA-O 3.33Å; Q221-P228 HydrophobicContact CB-CB 3.82Å; Q221-P228 HydrophobicContact CB-CG 4.4Å; Q221-P228 HydrophobicContact CG-CB 3.91Å
222	K	98.8	Very high	98.7	Very high	15 Å²	15	11.5 Å²	11.5	7%	0.065	8%	0.075	C	C	.	.	S	Bend	trans	-99.1	-112.2	176	-59	-51.7	-168.8	88.9	0	110	P41 S44 V198 L224 N225 M378	P41-K222 WeakPolarHBondContact O-CD 3.45Å; P41-K222 WeakPolarHBondContact O-CE 3.47Å; P41-K222 PolarHBondContact O-NZ 3.19Å; S44-K222 PolarHBondContact OG-O 2.76Å; S44-K222 VanDerWaalsContact OG-O 3.13Å; V198-K222 HydrophobicContact CG1-CG 3.77Å; V198-K222 WeakPolarHBondContact O-CB 3.35Å; V198-K222 WeakPolarHBondContact O-CG 3.47Å; K222-L224 VanDerWaalsContact C-N 3.32Å; K222-L224 PolarHBondContact O-N 3Å; K222-N225 PolarHBondContact O-N 3.3Å; K222-N225 PolarHBondContact O-ND2 3.37Å; K222-M378 HydrophobicContact CB-SD 3.84Å; K222-M378 HydrophobicContact CD-CE 4.32Å; K222-M378 HydrophobicContact CD-SD 3.84Å; K222-M378 HydrophobicContact CG-SD 4.33Å
223	V	98.8	Very high	98.7	Very high	8 Å²	8	10.9 Å²	10.9	5%	0.048	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-31.9	-176.4	178.1	0	0	0	0	112.5	I201 N225 T334 M378 G379	I201-V223 WeakPolarHBondContact O-CB 3.43Å; I201-V223 WeakPolarHBondContact O-CG2 3.39Å; V223-N225 PolarHBondContact O-N 2.88Å; V223-N225 PolarHBondContact O-OD1 3.09Å; V223-T334 HydrophobicContact CG2-CG2 3.55Å; V223-M378 HydrophobicContact CG2-CB 4.18Å; V223-M378 HydrophobicContact CG2-CG 4.31Å; V223-G379 VanDerWaalsContact O-CA 3.25Å; V223-G379 WeakPolarHBondContact O-CA 3.32Å
224	L	98.8	Very high	98.7	Very high	9 Å²	9	10.7 Å²	10.7	5%	0.047	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.3	177.3	-69.2	176.1	0	0	0	113.2	L80 S220 K222 A226 P232 L286 S289 L290 L293	L80-L224 HydrophobicContact CD1-CD2 4.47Å; L80-L224 HydrophobicContact CD2-CD1 4.01Å; L80-L224 HydrophobicContact CD2-CD2 4.12Å; L80-L224 HydrophobicContact CD2-CG 4.41Å; S220-L224 WeakPolarHBondContact O-CB 3.44Å; K222-L224 VanDerWaalsContact C-N 3.32Å; K222-L224 PolarHBondContact O-N 3Å; L224-A226 PolarHBondContact O-N 3.15Å; L224-P232 HydrophobicContact CD1-CG 4.46Å; L224-L286 HydrophobicContact CD1-CD1 4.17Å; L224-S289 VanDerWaalsContact O-CB 3.22Å; L224-S289 WeakPolarHBondContact O-CB 3.5Å; L224-L290 HydrophobicContact CD1-CD2 4.38Å; L224-L290 HydrophobicContact CD2-CD2 4Å; L224-L293 HydrophobicContact CD2-CD2 3.92Å
225	N	98.8	Very high	98.7	Very high	8 Å²	8	10.6 Å²	10.6	4%	0.043	7%	0.068	C	C	.	.			trans	55.9	20	-179.2	-47.9	135.8	0	0	0	115.4	S44 N45 V46 P47 K222 V223 M378 G379 C380	S44-N225 WeakPolarHBondContact CB-ND2 3.49Å; S44-N225 WeakPolarHBondContact OG-CA 3.38Å; S44-N225 PolarHBondContact OG-ND2 2.63Å; N45-N225 WeakPolarHBondContact O-CB 3.4Å; V46-N225 WeakPolarHBondContact CA-O 3.29Å; V46-N225 VanDerWaalsContact CG1-O 3.31Å; V46-N225 WeakPolarHBondContact CG1-O 3.45Å; V46-N225 WeakPolarHBondContact CG2-O 3.43Å; P47-N225 VanDerWaalsContact CD-CB 3.44Å; P47-N225 HydrophobicContact CG-CB 4.17Å; K222-N225 PolarHBondContact O-N 3.3Å; K222-N225 PolarHBondContact O-ND2 3.37Å; V223-N225 PolarHBondContact O-N 2.88Å; V223-N225 PolarHBondContact O-OD1 3.09Å; N225-M378 PolarHBondContact ND2-O 3.32Å; N225-G379 VanDerWaalsContact OD1-CA 3.26Å; N225-G379 WeakPolarHBondContact OD1-CA 3.42Å; N225-C380 PolarHBondContact OD1-N 3.41Å
226	A	98.7	Very high	98.7	Very high	3 Å²	3	11.2 Å²	11.2	3%	0.025	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-80.2	155.2	170.5	0	0	0	0	0	110.5	S220 Q221 L224	S220-A226 CarbonylContact C-O 3.49Å; S220-A226 PolarHBondContact O-N 3.14Å; Q221-A226 WeakPolarHBondContact CA-O 3.33Å; L224-A226 PolarHBondContact O-N 3.15Å
227	P	98.6	Very high	98.7	Very high	46 Å²	46	16.4 Å²	16.4	30%	0.299	10%	0.096	S	C	.	.	P	Polyproline II helix	trans	-54.5	144.9	171.6	-25	34.7	0	0	0	111.9	V46 S220	V46-P227 HydrophobicContact CG2-CG 4.36Å; S220-P227 PolarHBondContact OG-O 2.85Å
228	P	98.1	Very high	98.7	Very high	77 Å²	77	20.1 Å²	20.1	50%	0.5	11%	0.11	S	C	.	.	S	Bend	trans	-63.3	137.7	175.6	26	-33.1	0	0	0	110.9	Q221	Q221-P228 HydrophobicContact CB-CB 3.82Å; Q221-P228 HydrophobicContact CB-CG 4.4Å; Q221-P228 HydrophobicContact CG-CB 3.91Å
229	G	97.2	Very high	98.7	Very high	22 Å²	22	20.1 Å²	20.1	23%	0.227	11%	0.11	C	C	.	.	S	Bend	trans	143.3	-3.1	177.1	0	0	0	0	0	115.2	G93	G93-G229 CarbonylContact C-O 3.58Å; G93-G229 PolarHBondContact N-O 3.16Å; G93-G229 CarbonylContact O-C 3.57Å
230	T	98.7	Very high	98.7	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	11%	0.112	C	C	.	.			trans	-131.1	149.7	168.4	53	0	0	0	0	110.5	V91 G93 S220 P279 A282 F283	V91-T230 WeakPolarHBondContact O-CA 3.18Å; G93-T230 CarbonylContact O-C 2.95Å; G93-T230 WeakPolarHBondContact O-CA 3.45Å; G93-T230 PolarHBondContact O-N 2.79Å; G93-T230 VanDerWaalsContact O-N 3.1Å; S220-T230 VanDerWaalsContact CB-O 3.27Å; S220-T230 WeakPolarHBondContact CB-O 3.29Å; S220-T230 WeakPolarHBondContact CB-OG1 3.29Å; S220-T230 PolarHBondContact N-O 2.71Å; S220-T230 VanDerWaalsContact N-O 3.09Å; S220-T230 PolarHBondContact OG-O 2.8Å; T230-P279 HydrophobicContact CG2-CG 4.15Å; T230-A282 HydrophobicContact CG2-CB 3.75Å; T230-F283 HydrophobicContact CG2-CD1 4.03Å; T230-F283 HydrophobicContact CG2-CE1 4.09Å
231	A	98.8	Very high	98.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	103.9	-178.4	0	0	0	0	0	110.4	V91 G93 T94 A98 T218	V91-A231 HydrophobicContact CB-CB 4.4Å; V91-A231 PolarHBondContact N-O 3.47Å; V91-A231 PolarHBondContact O-N 3.16Å; V91-A231 VanDerWaalsContact O-N 3.08Å; G93-A231 PolarHBondContact O-N 2.94Å; T94-A231 WeakPolarHBondContact O-CB 3.47Å; A98-A231 HydrophobicContact CB-CB 3.64Å; T218-A231 WeakPolarHBondContact O-CA 3.25Å; T218-A231 WeakPolarHBondContact O-CB 3.35Å
232	P	98.9	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	138.4	173.5	-24	33.6	0	0	0	112.5	I77 F81 F89 Y217 T218 L224 L286	I77-P232 HydrophobicContact CB-CB 4.46Å; I77-P232 HydrophobicContact CD1-CB 3.67Å; I77-P232 HydrophobicContact CD1-CG 4.18Å; I77-P232 HydrophobicContact CG1-CB 3.73Å; I77-P232 HydrophobicContact CG1-CG 4.15Å; I77-P232 HydrophobicContact CG2-CB 3.83Å; F81-P232 HydrophobicContact CE2-CB 4.49Å; F81-P232 HydrophobicContact CZ-CB 3.95Å; F89-P232 WeakPolarHBondContact O-CA 3.47Å; Y217-P232 CarbonylContact C-O 3.5Å; Y217-P232 VanDerWaalsContact CA-O 3.23Å; Y217-P232 WeakPolarHBondContact CA-O 3.22Å; Y217-P232 WeakPolarHBondContact CB-O 3.45Å; T218-P232 HydrophobicContact CG2-CB 3.8Å; T218-P232 HydrophobicContact CG2-CG 3.71Å; T218-P232 PolarHBondContact N-O 3.08Å; L224-P232 HydrophobicContact CD1-CG 4.46Å; P232-L286 HydrophobicContact CG-CD1 4.28Å
233	I	98.9	Very high	98.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	148.1	177.9	-168.7	164.2	0	0	0	110.6	T88 F89 V91 A98 C101 A102 I215 L216 F235	T88-I233 WeakPolarHBondContact CA-O 3.33Å; F89-I233 HydrophobicContact CD1-CG2 4.23Å; F89-I233 HydrophobicContact CD2-CG2 3.9Å; F89-I233 HydrophobicContact CE1-CG2 3.9Å; F89-I233 HydrophobicContact CE2-CG2 3.55Å; F89-I233 HydrophobicContact CG-CG2 4.23Å; F89-I233 HydrophobicContact CZ-CG2 3.55Å; F89-I233 PolarHBondContact N-O 3.43Å; F89-I233 PolarHBondContact O-N 3.04Å; F89-I233 VanDerWaalsContact O-O 3.09Å; V91-I233 HydrophobicContact CG2-CB 4.26Å; V91-I233 HydrophobicContact CG2-CG2 3.55Å; A98-I233 HydrophobicContact CB-CD1 4.37Å; C101-I233 HydrophobicContact CB-CD1 4.36Å; A102-I233 HydrophobicContact CB-CD1 4.19Å; I215-I233 HydrophobicContact CG2-CD1 4.32Å; I215-I233 HydrophobicContact CG2-CG1 4.38Å; L216-I233 CarbonylContact O-C 3.56Å; L216-I233 VanDerWaalsContact O-CA 3.3Å; L216-I233 WeakPolarHBondContact O-CA 3.43Å; I233-F235 HydrophobicContact CB-CE2 4.5Å; I233-F235 HydrophobicContact CD1-CE2 3.55Å; I233-F235 HydrophobicContact CD1-CZ 3.56Å; I233-F235 HydrophobicContact CG1-CD2 4.25Å; I233-F235 HydrophobicContact CG1-CE2 3.61Å; I233-F235 HydrophobicContact CG1-CZ 4.09Å; I233-F235 HydrophobicContact CG2-CE2 4.11Å
234	S	99	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.9	175.6	174	0	0	0	0	110.3	N85 T87 T88 M208 I215 L216	N85-S234 WeakPolarHBondContact CB-OG 3.41Å; T87-S234 WeakPolarHBondContact O-CA 3.46Å; T88-S234 PolarHBondContact OG1-OG 2.85Å; T88-S234 VanDerWaalsContact OG1-OG 3.13Å; M208-S234 WeakPolarHBondContact CE-OG 3.34Å; M208-S234 PolarHBondContact SD-OG 3.17Å; I215-S234 WeakPolarHBondContact CA-O 3.44Å; L216-S234 PolarHBondContact N-O 3.41Å; L216-S234 VanDerWaalsContact N-O 3.07Å; L216-S234 PolarHBondContact O-N 2.8Å
235	F	98.9	Very high	98.5	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.4	177.5	-64.7	-102.4	0	0	0	109.9	N85 T87 F89 D214 I215 I233 A239 L257	N85-F235 WeakPolarHBondContact CB-O 3.5Å; T87-F235 HydrophobicContact CG2-CB 4.1Å; T87-F235 HydrophobicContact CG2-CD2 4.06Å; T87-F235 HydrophobicContact CG2-CG 4.4Å; T87-F235 PolarHBondContact O-N 3.39Å; F89-F235 HydrophobicContact CE1-CD2 4.23Å; F89-F235 HydrophobicContact CE1-CE2 4.03Å; F89-F235 HydrophobicContact CZ-CE2 4.1Å; D214-F235 CarbonylContact O-C 3.11Å; D214-F235 WeakPolarHBondContact O-CA 3.38Å; I215-F235 HydrophobicContact CB-CD1 4.47Å; I215-F235 HydrophobicContact CD1-CD1 3.92Å; I215-F235 HydrophobicContact CD1-CE1 3.93Å; I215-F235 HydrophobicContact CG1-CD1 3.78Å; I215-F235 HydrophobicContact CG1-CE1 4.17Å; I215-F235 HydrophobicContact CG2-CD1 3.94Å; I215-F235 HydrophobicContact CG2-CE1 3.8Å; I215-F235 HydrophobicContact CG2-CG 4.45Å; I215-F235 HydrophobicContact CG2-CZ 4.2Å; I233-F235 HydrophobicContact CB-CE2 4.5Å; I233-F235 HydrophobicContact CD1-CE2 3.55Å; I233-F235 HydrophobicContact CD1-CZ 3.56Å; I233-F235 HydrophobicContact CG1-CD2 4.25Å; I233-F235 HydrophobicContact CG1-CE2 3.61Å; I233-F235 HydrophobicContact CG1-CZ 4.09Å; I233-F235 HydrophobicContact CG2-CE2 4.11Å; F235-A239 HydrophobicContact CB-CB 4.24Å; F235-A239 HydrophobicContact CD1-CB 4.19Å; F235-L257 HydrophobicContact CD1-CD2 4.09Å; F235-L257 HydrophobicContact CD2-CD1 4.02Å; F235-L257 HydrophobicContact CD2-CD2 4.3Å; F235-L257 HydrophobicContact CE1-CD2 4.19Å; F235-L257 HydrophobicContact CE2-CD1 3.74Å; F235-L257 HydrophobicContact CE2-CD2 4.4Å; F235-L257 HydrophobicContact CG-CD2 4.15Å; F235-L257 HydrophobicContact CZ-CD1 4.17Å; F235-L257 HydrophobicContact CZ-CD2 4.35Å
236	S	98.9	Very high	98.4	Very high	13 Å²	13	38.1 Å²	38.1	9%	0.091	19%	0.193	C	C	.	.			trans	-66.1	160.7	171.1	77.8	0	0	0	0	111	N85 D214 R238 A239 C240	N85-S236 WeakPolarHBondContact OD1-CA 3.47Å; D214-S236 WeakPolarHBondContact CA-OG 3.41Å; D214-S236 WeakPolarHBondContact O-CB 3.25Å; D214-S236 PolarHBondContact O-N 3.32Å; D214-S236 PolarHBondContact O-OG 2.86Å; D214-S236 PolarHBondContact OD1-OG 2.74Å; S236-R238 PolarHBondContact O-N 3.15Å; S236-R238 PolarHBondContact OG-N 3.16Å; S236-A239 PolarHBondContact O-N 3.06Å; S236-A239 VanDerWaalsContact O-N 3.11Å; S236-A239 PolarHBondContact OG-N 3.39Å; S236-A239 VanDerWaalsContact OG-N 3.11Å; S236-C240 PolarHBondContact O-N 2.83Å
237	E	98.6	Very high	98.4	Very high	110 Å²	110	44 Å²	44	51%	0.514	23%	0.229	S	C	.	.	H	α-helix	trans	-56.3	-36.3	172.3	178.1	55.4	-149.9	0	0	112	C240 R241	E237-C240 PolarHBondContact O-N 3.48Å; E237-R241 WeakPolarHBondContact O-CG 3.3Å; E237-R241 PolarHBondContact O-N 3.08Å; E237-R241 IonicContact OE1-CZ 3.92Å; E237-R241 IonicContact OE1-NE 3.13Å; E237-R241 PolarHBondContact OE1-NE 3.39Å; E237-R241 VanDerWaalsContact OE1-NE 3.13Å; E237-R241 IonicContact OE1-NH2 3.81Å
238	R	98.6	Very high	98.3	Very high	78 Å²	78	45.2 Å²	45.2	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-42.8	176.3	-170.1	-174.4	153.6	73.7	14.5	111.5	D190 L192 S236 R241 K242	D190-R238 VanDerWaalsContact CA-NH2 3.32Å; D190-R238 PolarHBondContact O-NH2 3.41Å; D190-R238 IonicContact OD1-CZ 2.68Å; D190-R238 IonicContact OD1-NH1 2.83Å; D190-R238 PolarHBondContact OD1-NH1 3.5Å; D190-R238 IonicContact OD1-NH2 2.8Å; D190-R238 PolarHBondContact OD1-NH2 3.05Å; L192-R238 HydrophobicContact CD2-CB 4.23Å; L192-R238 HydrophobicContact CD2-CG 3.74Å; S236-R238 PolarHBondContact O-N 3.15Å; S236-R238 PolarHBondContact OG-N 3.16Å; R238-R241 PolarHBondContact O-N 3Å; R238-K242 PolarHBondContact O-N 3.35Å
239	A	98.9	Very high	98.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-45.4	173.7	0	0	0	0	0	111.6	L192 D214 I215 F235 S236 R241 K242 V243	L192-A239 HydrophobicContact CD1-CB 4.44Å; L192-A239 HydrophobicContact CD2-CB 4.39Å; D214-A239 HydrophobicContact CB-CB 4.32Å; I215-A239 HydrophobicContact CD1-CB 4.07Å; I215-A239 HydrophobicContact CG1-CB 3.66Å; F235-A239 HydrophobicContact CB-CB 4.24Å; F235-A239 HydrophobicContact CD1-CB 4.19Å; S236-A239 PolarHBondContact O-N 3.06Å; S236-A239 VanDerWaalsContact O-N 3.11Å; S236-A239 PolarHBondContact OG-N 3.39Å; S236-A239 VanDerWaalsContact OG-N 3.11Å; A239-R241 VanDerWaalsContact C-N 3.33Å; A239-R241 PolarHBondContact O-N 2.95Å; A239-K242 PolarHBondContact O-N 3.27Å; A239-K242 VanDerWaalsContact O-N 3.15Å; A239-V243 WeakPolarHBondContact O-CG2 3.41Å; A239-V243 PolarHBondContact O-N 2.78Å
240	C	98.8	Very high	98.3	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-57.2	-44.4	176.4	-75	0	0	0	0	111.9	T87 S236 E237 K242 V243 F244	T87-C240 PolarHBondContact OG1-SG 2.94Å; S236-C240 PolarHBondContact O-N 2.83Å; E237-C240 PolarHBondContact O-N 3.48Å; C240-K242 VanDerWaalsContact C-N 3.35Å; C240-K242 PolarHBondContact O-N 3.01Å; C240-V243 PolarHBondContact O-N 2.97Å; C240-F244 HydrophobicContact CB-CD2 4.04Å; C240-F244 HydrophobicContact CB-CE2 3.91Å; C240-F244 WeakPolarHBondContact O-CB 3.26Å; C240-F244 WeakPolarHBondContact O-CD2 3.29Å; C240-F244 WeakPolarHBondContact O-CG 3.12Å; C240-F244 PolarHBondContact O-N 3.34Å
241	R	98.5	Very high	98.3	Very high	159 Å²	159	55.6 Å²	55.6	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-56.9	-47.1	175.2	-71.7	175.4	-154.7	168.5	5.8	112	E237 R238 A239 V243 F244 S245	E237-R241 WeakPolarHBondContact O-CG 3.3Å; E237-R241 PolarHBondContact O-N 3.08Å; E237-R241 IonicContact OE1-CZ 3.92Å; E237-R241 IonicContact OE1-NE 3.13Å; E237-R241 PolarHBondContact OE1-NE 3.39Å; E237-R241 VanDerWaalsContact OE1-NE 3.13Å; E237-R241 IonicContact OE1-NH2 3.81Å; R238-R241 PolarHBondContact O-N 3Å; A239-R241 VanDerWaalsContact C-N 3.33Å; A239-R241 PolarHBondContact O-N 2.95Å; R241-V243 PolarHBondContact O-N 2.85Å; R241-F244 PolarHBondContact O-N 3.48Å; R241-S245 WeakPolarHBondContact O-CB 3.42Å; R241-S245 PolarHBondContact O-N 2.83Å; R241-S245 PolarHBondContact O-OG 3.08Å; R241-S245 VanDerWaalsContact O-OG 3.05Å
242	K	98.3	Very high	98.3	Very high	41 Å²	41	56.9 Å²	56.9	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-44.5	176.3	173.4	58.4	179.2	161.7	0	111.9	T106 E108 E111 L192 R238 A239 C240 S245 R246	T106-K242 HydrophobicContact CG2-CG 4.18Å; T106-K242 VanDerWaalsContact O-CE 3.24Å; T106-K242 WeakPolarHBondContact O-CE 3.29Å; E108-K242 IonicContact OE1-NZ 3.48Å; E111-K242 IonicContact OE1-NZ 3.34Å; E111-K242 PolarHBondContact OE1-NZ 3.45Å; E111-K242 WeakPolarHBondContact OE2-CE 3.36Å; E111-K242 IonicContact OE2-NZ 3.2Å; E111-K242 PolarHBondContact OE2-NZ 3.02Å; L192-K242 HydrophobicContact CD1-CB 3.89Å; L192-K242 HydrophobicContact CD1-CG 3.89Å; R238-K242 PolarHBondContact O-N 3.35Å; A239-K242 PolarHBondContact O-N 3.27Å; A239-K242 VanDerWaalsContact O-N 3.15Å; C240-K242 VanDerWaalsContact C-N 3.35Å; C240-K242 PolarHBondContact O-N 3.01Å; K242-S245 PolarHBondContact O-OG 2.96Å; K242-R246 WeakPolarHBondContact O-CG 3.49Å
243	V	98.4	Very high	98.3	Very high	11 Å²	11	62.6 Å²	62.6	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-42.8	-179.5	176.1	0	0	0	0	111.7	N105 A239 C240 R241 R246 L257	N105-V243 HydrophobicContact CB-CG1 3.88Å; N105-V243 HydrophobicContact CB-CG2 4.09Å; N105-V243 WeakPolarHBondContact O-CG2 3.2Å; A239-V243 WeakPolarHBondContact O-CG2 3.41Å; A239-V243 PolarHBondContact O-N 2.78Å; C240-V243 PolarHBondContact O-N 2.97Å; R241-V243 PolarHBondContact O-N 2.85Å; V243-R246 WeakPolarHBondContact O-CD 3.39Å; V243-R246 WeakPolarHBondContact O-CG 3.3Å; V243-L257 HydrophobicContact CB-CD2 4.04Å; V243-L257 HydrophobicContact CG1-CB 3.86Å; V243-L257 HydrophobicContact CG1-CD2 3.69Å; V243-L257 HydrophobicContact CG1-CG 4.36Å; V243-L257 HydrophobicContact CG2-CD2 3.99Å
244	F	97.7	Very high	98.3	Very high	112 Å²	112	66.5 Å²	66.5	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-84.7	-13	-176.5	-62.9	-56.1	0	0	0	114	C240 R241 L257	C240-F244 HydrophobicContact CB-CD2 4.04Å; C240-F244 HydrophobicContact CB-CE2 3.91Å; C240-F244 WeakPolarHBondContact O-CB 3.26Å; C240-F244 WeakPolarHBondContact O-CD2 3.29Å; C240-F244 WeakPolarHBondContact O-CG 3.12Å; C240-F244 PolarHBondContact O-N 3.34Å; R241-F244 PolarHBondContact O-N 3.48Å; F244-L257 HydrophobicContact CZ-CD2 4.33Å; F244-L257 HydrophobicContact CZ-CG 4.29Å
245	S	97.6	Very high	98.3	Very high	83 Å²	83	66.7 Å²	66.7	58%	0.58	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	4.7	174.9	76	0	0	0	0	114.3	R241 K242	R241-S245 WeakPolarHBondContact O-CB 3.42Å; R241-S245 PolarHBondContact O-N 2.83Å; R241-S245 PolarHBondContact O-OG 3.08Å; R241-S245 VanDerWaalsContact O-OG 3.05Å; K242-S245 PolarHBondContact O-OG 2.96Å
246	R	97.3	Very high	98.2	Very high	37 Å²	37	67.7 Å²	67.7	14%	0.14	34%	0.335	C	S	.	.			trans	-62.1	151.8	-178.2	-64	168.7	74.2	84.8	-1.4	111.8	N105 T106 V107 E108 K242 V243	N105-R246 VanDerWaalsContact C-NH1 3.33Å; N105-R246 WeakPolarHBondContact O-CD 3.46Å; N105-R246 PolarHBondContact O-NE 3.5Å; N105-R246 PolarHBondContact O-NH1 2.99Å; T106-R246 PolarHBondContact O-NH1 3.41Å; T106-R246 VanDerWaalsContact O-NH1 3.15Å; V107-R246 VanDerWaalsContact C-NH2 3.29Å; V107-R246 PolarHBondContact O-NH1 3.48Å; V107-R246 PolarHBondContact O-NH2 3.35Å; E108-R246 HydrophobicContact CG-CB 4.41Å; E108-R246 HydrophobicContact CG-CG 4.26Å; E108-R246 VanDerWaalsContact CG-NH2 3.26Å; E108-R246 WeakPolarHBondContact OE1-CA 3.14Å; K242-R246 WeakPolarHBondContact O-CG 3.49Å; V243-R246 WeakPolarHBondContact O-CD 3.39Å; V243-R246 WeakPolarHBondContact O-CG 3.3Å
247	T	97.3	Very high	98.2	Very high	126 Å²	126	67 Å²	67	77%	0.773	33%	0.331	S	S	*	.	S	Bend	trans	-90.7	-21.2	175.6	63.9	0	0	0	0	113	E108	E108-T247 PolarHBondContact OE2-N 3.19Å; E108-T247 PolarHBondContact OE2-OG1 2.86Å
248	T	97.6	Very high	98.1	Very high	73 Å²	73	64.3 Å²	64.3	45%	0.448	32%	0.324	S	S	.	.	S	Bend	trans	-119.7	144.4	-178.7	56.5	0	0	0	0	111.7	E108	E108-T248 PolarHBondContact OE2-N 3.05Å; E108-T248 PolarHBondContact OE2-OG1 3.39Å
249	K	97.9	Very high	98.1	Very high	189 Å²	189	65 Å²	65	82%	0.822	33%	0.326	S	S	*	.			trans	-65.2	143	174.2	-68.1	-178.7	179.3	178.7	0	110.2
250	P	97.8	Very high	98	Very high	23 Å²	23	65.1 Å²	65.1	15%	0.149	33%	0.327	C	S	.	.			trans	-54.6	148.5	169.9	-24	34.1	0	0	0	111.6	N105 S252	N105-P250 WeakPolarHBondContact OD1-CG 3.42Å; P250-S252 PolarHBondContact O-N 3.07Å
251	V	97.8	Very high	98	Very high	106 Å²	106	65 Å²	65	64%	0.642	33%	0.326	S	S	*	.	S	Bend	trans	-66.3	-19.8	-177.7	-64.1	0	0	0	0	113.7	F104 V132	F104-V251 HydrophobicContact CB-CG2 4.1Å; F104-V251 HydrophobicContact CD1-CG2 4.25Å; F104-V251 HydrophobicContact CD2-CG2 3.58Å; F104-V251 HydrophobicContact CE2-CG2 3.99Å; F104-V251 HydrophobicContact CG-CG2 3.72Å; F104-V251 HydrophobicContact CZ-CG2 4.48Å; V132-V251 HydrophobicContact CG1-CG1 4.46Å; V132-V251 HydrophobicContact CG1-CG2 3.92Å
252	S	98.6	Very high	98	Very high	26 Å²	26	57.6 Å²	57.6	18%	0.182	30%	0.298	C	S	.	.			trans	-118.8	115.6	-178	178	0	0	0	0	110.6	P250 F254 L255 D256	P250-S252 PolarHBondContact O-N 3.07Å; S252-F254 VanDerWaalsContact C-N 3.33Å; S252-L255 PolarHBondContact O-N 3.25Å; S252-L255 PolarHBondContact OG-N 2.89Å; S252-D256 PolarHBondContact O-N 2.82Å; S252-D256 VanDerWaalsContact O-N 3.14Å
253	F	98.6	Very high	98	Very high	120 Å²	120	55.7 Å²	55.7	53%	0.526	29%	0.29	S	S	.	.	S	Bend	trans	-59.8	-45.4	170.1	175.9	-94.7	0	0	0	111.2	L255 D256 W259 H275	F253-L255 PolarHBondContact O-N 2.83Å; F253-L255 VanDerWaalsContact O-N 3.16Å; F253-D256 VanDerWaalsContact O-CB 3.29Å; F253-D256 WeakPolarHBondContact O-CB 3.22Å; F253-D256 PolarHBondContact O-N 3.37Å; F253-D256 VanDerWaalsContact O-N 3.09Å; F253-W259 AromaticContact CD2-NE1 4Å; F253-W259 AromaticContact CE2-CD1 3.86Å; F253-W259 HydrophobicContact CE2-CD2 4.25Å; F253-W259 AromaticContact CE2-CE2 3.71Å; F253-W259 HydrophobicContact CE2-CG 4.33Å; F253-W259 HydrophobicContact CE2-CZ2 4.19Å; F253-W259 AromaticContact CE2-NE1 3.46Å; F253-W259 HydrophobicContact CZ-CD2 4.38Å; F253-H275 AromaticContact CD1-NE2 3.7Å; F253-H275 AromaticContact CE1-CD2 3.4Å; F253-H275 WeakPolarHBondContact CE1-CD2 3.39Å; F253-H275 AromaticContact CE1-NE2 3.44Å; F253-H275 WeakPolarHBondContact CE1-NE2 3.38Å; F253-H275 AromaticContact CZ-CD2 3.65Å; F253-H275 AromaticContact CZ-NE2 3.97Å; F253-H275 PolarHBondContact O-NE2 3.15Å; F253-H275 VanDerWaalsContact O-NE2 3.15Å
254	F	98.6	Very high	98	Very high	83 Å²	83	55.1 Å²	55.1	36%	0.364	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28	-177.9	-178.5	-107.1	0	0	0	113.4	S252 H275 H276	S252-F254 VanDerWaalsContact C-N 3.33Å; F254-H275 PolarHBondContact O-CE1 3.37Å; F254-H275 VanDerWaalsContact O-CE1 3.31Å; F254-H276 HydrophobicContact CD2-CB 4.26Å; F254-H276 HydrophobicContact CE2-CB 4.03Å; F254-H276 AromaticContact CE2-CD2 3.57Å; F254-H276 AromaticContact CE2-CG 3.59Å; F254-H276 AromaticContact CE2-ND1 3.97Å; F254-H276 AromaticContact CE2-NE2 3.96Å
255	L	98.7	Very high	98	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	4.1	180	-56.4	-179.3	0	0	0	113.3	V91 T97 E100 C101 F104 N105 S252 F253 L257	V91-L255 HydrophobicContact CG1-CD2 3.98Å; T97-L255 HydrophobicContact CG2-CD1 4.43Å; T97-L255 HydrophobicContact CG2-CD2 3.59Å; E100-L255 HydrophobicContact CB-CD1 3.69Å; C101-L255 HydrophobicContact CB-CB 4.35Å; C101-L255 HydrophobicContact CB-CD2 4.39Å; F104-L255 HydrophobicContact CD2-CD1 4.14Å; F104-L255 HydrophobicContact CE2-CD1 4.41Å; N105-L255 PolarHBondContact ND2-O 2.85Å; S252-L255 PolarHBondContact O-N 3.25Å; S252-L255 PolarHBondContact OG-N 2.89Å; F253-L255 PolarHBondContact O-N 2.83Å; F253-L255 VanDerWaalsContact O-N 3.16Å; L255-L257 PolarHBondContact O-N 3.25Å
256	D	98.6	Very high	97.9	Very high	21 Å²	21	47.5 Å²	47.5	11%	0.112	25%	0.252	C	S	.	.			trans	-64.6	120.1	-176.5	-174.3	-35.9	0	0	0	110.9	S252 F253 S258 W259 L260	S252-D256 PolarHBondContact O-N 2.82Å; S252-D256 VanDerWaalsContact O-N 3.14Å; F253-D256 VanDerWaalsContact O-CB 3.29Å; F253-D256 WeakPolarHBondContact O-CB 3.22Å; F253-D256 PolarHBondContact O-N 3.37Å; F253-D256 VanDerWaalsContact O-N 3.09Å; D256-S258 PolarHBondContact O-N 3.49Å; D256-S258 VanDerWaalsContact OD1-CB 3.29Å; D256-S258 WeakPolarHBondContact OD1-CB 3.16Å; D256-S258 PolarHBondContact OD1-N 2.93Å; D256-S258 PolarHBondContact OD1-OG 2.88Å; D256-W259 PolarHBondContact O-N 2.98Å; D256-L260 WeakPolarHBondContact O-CG 2.97Å; D256-L260 PolarHBondContact O-N 2.59Å
257	L	98.2	Very high	97.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-25.6	-175.3	-167.4	62.9	0	0	0	112.4	T87 F89 N105 F235 V243 F244 L255 S261	T87-L257 HydrophobicContact CG2-CD1 3.96Å; T87-L257 HydrophobicContact CG2-CD2 4.34Å; T87-L257 HydrophobicContact CG2-CG 4.4Å; F89-L257 HydrophobicContact CE1-CD1 3.51Å; F89-L257 HydrophobicContact CZ-CD1 3.62Å; N105-L257 HydrophobicContact CB-CB 4.35Å; N105-L257 WeakPolarHBondContact OD1-CB 3.22Å; N105-L257 PolarHBondContact OD1-N 2.95Å; F235-L257 HydrophobicContact CD1-CD2 4.09Å; F235-L257 HydrophobicContact CD2-CD1 4.02Å; F235-L257 HydrophobicContact CD2-CD2 4.3Å; F235-L257 HydrophobicContact CE1-CD2 4.19Å; F235-L257 HydrophobicContact CE2-CD1 3.74Å; F235-L257 HydrophobicContact CE2-CD2 4.4Å; F235-L257 HydrophobicContact CG-CD2 4.15Å; F235-L257 HydrophobicContact CZ-CD1 4.17Å; F235-L257 HydrophobicContact CZ-CD2 4.35Å; V243-L257 HydrophobicContact CB-CD2 4.04Å; V243-L257 HydrophobicContact CG1-CB 3.86Å; V243-L257 HydrophobicContact CG1-CD2 3.69Å; V243-L257 HydrophobicContact CG1-CG 4.36Å; V243-L257 HydrophobicContact CG2-CD2 3.99Å; F244-L257 HydrophobicContact CZ-CD2 4.33Å; F244-L257 HydrophobicContact CZ-CG 4.29Å; L255-L257 PolarHBondContact O-N 3.25Å; L257-S261 WeakPolarHBondContact O-CB 3.34Å; L257-S261 PolarHBondContact O-N 2.81Å; L257-S261 PolarHBondContact O-OG 2.97Å
258	S	96	Very high	97.5	Very high	52 Å²	52	48 Å²	48	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-66.3	-40.7	176.4	70.1	0	0	0	0	112	D256 N262	D256-S258 PolarHBondContact O-N 3.49Å; D256-S258 VanDerWaalsContact OD1-CB 3.29Å; D256-S258 WeakPolarHBondContact OD1-CB 3.16Å; D256-S258 PolarHBondContact OD1-N 2.93Å; D256-S258 PolarHBondContact OD1-OG 2.88Å; S258-N262 PolarHBondContact O-N 2.55Å
259	W	98.3	Very high	97.3	Very high	93 Å²	93	50.3 Å²	50.3	35%	0.352	26%	0.256	S	S	.	.	H	α-helix	trans	-75.8	-43.5	175.9	-71.2	101.9	0	0	0	111.9	F253 D256 N262 Y263 I273 H275	F253-W259 AromaticContact CD2-NE1 4Å; F253-W259 AromaticContact CE2-CD1 3.86Å; F253-W259 HydrophobicContact CE2-CD2 4.25Å; F253-W259 AromaticContact CE2-CE2 3.71Å; F253-W259 HydrophobicContact CE2-CG 4.33Å; F253-W259 HydrophobicContact CE2-CZ2 4.19Å; F253-W259 AromaticContact CE2-NE1 3.46Å; F253-W259 HydrophobicContact CZ-CD2 4.38Å; D256-W259 PolarHBondContact O-N 2.98Å; W259-N262 PolarHBondContact O-N 3.24Å; W259-Y263 WeakPolarHBondContact O-CB 3.48Å; W259-Y263 PolarHBondContact O-N 3.06Å; W259-I273 HydrophobicContact CZ3-CG2 4.26Å; W259-H275 HydrophobicContact CB-CB 4.39Å; W259-H275 AromaticContact CG-CD2 3.98Å
260	L	98.4	Very high	96.7	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-40.5	179.9	-69.6	171.4	0	0	0	112.2	F89 D256 N262 Y263 W264	F89-L260 HydrophobicContact CE2-CB 4.08Å; F89-L260 HydrophobicContact CE2-CD1 3.93Å; F89-L260 HydrophobicContact CE2-CG 4.46Å; F89-L260 HydrophobicContact CZ-CB 4.08Å; F89-L260 HydrophobicContact CZ-CD1 4.13Å; D256-L260 WeakPolarHBondContact O-CG 2.97Å; D256-L260 PolarHBondContact O-N 2.59Å; L260-N262 VanDerWaalsContact C-N 3.32Å; L260-N262 PolarHBondContact O-N 3.43Å; L260-Y263 PolarHBondContact O-N 2.9Å; L260-W264 WeakPolarHBondContact O-CB 3.34Å; L260-W264 PolarHBondContact O-N 3.45Å
261	S	97.6	Very high	96.4	Very high	4 Å²	4	50 Å²	50	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-42.3	177	-62.6	0	0	0	0	111.1	L257 G265 C266	L257-S261 WeakPolarHBondContact O-CB 3.34Å; L257-S261 PolarHBondContact O-N 2.81Å; L257-S261 PolarHBondContact O-OG 2.97Å; S261-G265 PolarHBondContact O-N 2.88Å; S261-C266 WeakPolarHBondContact O-CA 3.49Å; S261-C266 WeakPolarHBondContact O-CB 3.14Å; S261-C266 PolarHBondContact O-N 3.02Å
262	N	98.1	Very high	96.3	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-67.1	-48.2	175.3	179.3	-105.9	0	0	0	112.6	S258 W259 L260 W264 G265 D267 A271 I273	S258-N262 PolarHBondContact O-N 2.55Å; W259-N262 PolarHBondContact O-N 3.24Å; L260-N262 VanDerWaalsContact C-N 3.32Å; L260-N262 PolarHBondContact O-N 3.43Å; N262-W264 PolarHBondContact O-N 2.93Å; N262-G265 PolarHBondContact O-N 3.38Å; N262-D267 WeakPolarHBondContact CA-OD1 3.21Å; N262-D267 VanDerWaalsContact CB-OD2 3.25Å; N262-D267 WeakPolarHBondContact CB-OD2 3.5Å; N262-D267 PolarHBondContact ND2-OD1 2.79Å; N262-D267 VanDerWaalsContact ND2-OD1 3.1Å; N262-D267 PolarHBondContact ND2-OD2 3.06Å; N262-D267 VanDerWaalsContact ND2-OD2 3.12Å; N262-A271 PolarHBondContact ND2-O 3.5Å; N262-A271 VanDerWaalsContact ND2-O 3.15Å; N262-I273 WeakPolarHBondContact OD1-CB 3.38Å; N262-I273 VanDerWaalsContact OD1-CG1 3.3Å; N262-I273 WeakPolarHBondContact OD1-CG1 3.15Å; N262-I273 PolarHBondContact OD1-N 2.9Å
263	Y	98.2	Very high	96.2	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-36.7	-178.9	174.7	-116.2	0	0	0	112.3	M62 M70 W259 L260 R272 H275	M62-Y263 HydrophobicContact SD-CD2 4.21Å; M62-Y263 HydrophobicContact SD-CE2 3.72Å; M70-Y263 HydrophobicContact CE-CD1 3.97Å; M70-Y263 HydrophobicContact CE-CE1 3.58Å; M70-Y263 HydrophobicContact CE-CE2 4.29Å; M70-Y263 HydrophobicContact CE-CG 4.47Å; M70-Y263 WeakPolarHBondContact CE-O 3.48Å; W259-Y263 WeakPolarHBondContact O-CB 3.48Å; W259-Y263 PolarHBondContact O-N 3.06Å; L260-Y263 PolarHBondContact O-N 2.9Å; Y263-R272 VanDerWaalsContact O-CD 3.29Å; Y263-R272 WeakPolarHBondContact O-CD 3.41Å; Y263-H275 HydrophobicContact CG-CB 4.49Å
264	W	98.4	Very high	96.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5	176.9	-77.6	93.1	0	0	0	114.5	M70 I73 K74 F89 A90 L260 N262 C266 F283	M70-W264 HydrophobicContact CB-CE3 3.86Å; M70-W264 HydrophobicContact CB-CH2 4.38Å; M70-W264 HydrophobicContact CB-CZ3 3.63Å; M70-W264 HydrophobicContact CE-CB 4.49Å; M70-W264 HydrophobicContact CE-CD2 3.42Å; M70-W264 VanDerWaalsContact CE-CD2 3.42Å; M70-W264 HydrophobicContact CE-CE3 3.65Å; M70-W264 HydrophobicContact CE-CG 3.85Å; M70-W264 HydrophobicContact CE-CH2 4.31Å; M70-W264 HydrophobicContact CE-CZ2 4.14Å; M70-W264 HydrophobicContact CE-CZ3 4.1Å; M70-W264 HydrophobicContact CG-CE3 4.19Å; M70-W264 HydrophobicContact CG-CH2 4.07Å; M70-W264 HydrophobicContact CG-CZ3 3.81Å; I73-W264 HydrophobicContact CB-CZ3 4.32Å; I73-W264 HydrophobicContact CG2-CH2 4.17Å; I73-W264 HydrophobicContact CG2-CZ3 4.05Å; K74-W264 HydrophobicContact CD-CE3 4.13Å; K74-W264 VanDerWaalsContact CD-O 3.29Å; K74-W264 WeakPolarHBondContact CD-O 3.46Å; K74-W264 HydrophobicContact CG-CE3 3.91Å; K74-W264 HydrophobicContact CG-CZ3 4.3Å; K74-W264 PolarHBondContact NZ-O 3.47Å; F89-W264 HydrophobicContact CB-CB 3.8Å; F89-W264 HydrophobicContact CB-CD2 3.44Å; F89-W264 VanDerWaalsContact CB-CD2 3.44Å; F89-W264 HydrophobicContact CB-CE3 3.83Å; F89-W264 HydrophobicContact CB-CG 3.41Å; F89-W264 VanDerWaalsContact CB-CG 3.41Å; F89-W264 AromaticContact CD2-CD1 3.87Å; F89-W264 HydrophobicContact CD2-CG 4.38Å; F89-W264 AromaticContact CD2-NE1 3.89Å; F89-W264 HydrophobicContact CG-CB 4.45Å; F89-W264 AromaticContact CG-CD1 3.98Å; F89-W264 HydrophobicContact CG-CD2 4.43Å; F89-W264 HydrophobicContact CG-CG 4.07Å; A90-W264 HydrophobicContact CB-CH2 3.73Å; A90-W264 HydrophobicContact CB-CZ2 3.85Å; A90-W264 WeakPolarHBondContact O-CZ2 3.34Å; A90-W264 PolarHBondContact O-NE1 3.24Å; L260-W264 WeakPolarHBondContact O-CB 3.34Å; L260-W264 PolarHBondContact O-N 3.45Å; N262-W264 PolarHBondContact O-N 2.93Å; W264-C266 VanDerWaalsContact C-N 3.3Å; W264-C266 PolarHBondContact O-N 2.89Å; W264-F283 HydrophobicContact CH2-CD1 4.34Å; W264-F283 AromaticContact CH2-CE1 3.87Å; W264-F283 HydrophobicContact CH2-CE1 3.87Å; W264-F283 HydrophobicContact CH2-CE2 4.35Å; W264-F283 AromaticContact CH2-CZ 3.87Å; W264-F283 HydrophobicContact CH2-CZ 3.87Å; W264-F283 AromaticContact CZ2-CE1 3.68Å; W264-F283 HydrophobicContact CZ2-CE1 3.68Å; W264-F283 HydrophobicContact CZ2-CE2 4.16Å; W264-F283 AromaticContact CZ2-CZ 3.43Å; W264-F283 HydrophobicContact CZ2-CZ 3.43Å; W264-F283 VanDerWaalsContact CZ2-CZ 3.43Å
265	G	97.6	Very high	96.1	Very high	29 Å²	29	46.8 Å²	46.8	30%	0.299	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	39.4	-179	0	0	0	0	0	112.7	K74 S261 N262	K74-G265 PolarHBondContact NZ-O 3.18Å; S261-G265 PolarHBondContact O-N 2.88Å; N262-G265 PolarHBondContact O-N 3.38Å
266	C	97.3	Very high	96.1	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.034	25%	0.254	C	S	.	.			trans	-95.9	-9.3	175	-55.6	0	0	0	0	112.2	K74 R86 S261 W264	K74-C266 VanDerWaalsContact CE-SG 3.56Å; K74-C266 PolarHBondContact NZ-SG 3.3Å; R86-C266 WeakPolarHBondContact CD-O 3.5Å; R86-C266 PolarHBondContact NE-O 3.21Å; R86-C266 PolarHBondContact O-SG 3.26Å; S261-C266 WeakPolarHBondContact O-CA 3.49Å; S261-C266 WeakPolarHBondContact O-CB 3.14Å; S261-C266 PolarHBondContact O-N 3.02Å; W264-C266 VanDerWaalsContact C-N 3.3Å; W264-C266 PolarHBondContact O-N 2.89Å
267	D	94.4	Very high	96.1	Very high	36 Å²	36	50.5 Å²	50.5	19%	0.193	27%	0.274	C	S	.	.	S	Bend	trans	-101.8	172.3	173.6	71.9	-5.2	0	0	0	111.9	R86 N262 K269	R86-D267 PolarHBondContact NH2-O 2.84Å; N262-D267 WeakPolarHBondContact CA-OD1 3.21Å; N262-D267 VanDerWaalsContact CB-OD2 3.25Å; N262-D267 WeakPolarHBondContact CB-OD2 3.5Å; N262-D267 PolarHBondContact ND2-OD1 2.79Å; N262-D267 VanDerWaalsContact ND2-OD1 3.1Å; N262-D267 PolarHBondContact ND2-OD2 3.06Å; N262-D267 VanDerWaalsContact ND2-OD2 3.12Å; D267-K269 PolarHBondContact O-N 2.75Å; D267-K269 PolarHBondContact OD1-N 2.72Å; D267-K269 VanDerWaalsContact OD2-CD 3.23Å; D267-K269 WeakPolarHBondContact OD2-CD 3.17Å; D267-K269 WeakPolarHBondContact OD2-CE 3.17Å; D267-K269 WeakPolarHBondContact OD2-CG 3.5Å; D267-K269 IonicContact OD2-NZ 2.65Å
268	D	90.8	Very high	96	Very high	139 Å²	139	50.6 Å²	50.6	74%	0.743	28%	0.276	S	S	*	.	S	Bend	trans	-82	12.6	-177.4	-67.8	-55.9	0	0	0	113.4	R86	R86-D268 IonicContact CZ-OD1 3.34Å; R86-D268 IonicContact CZ-OD2 3.08Å; R86-D268 IonicContact NH1-OD1 3.94Å; R86-D268 PolarHBondContact NH1-OD1 3.09Å; R86-D268 IonicContact NH1-OD2 2.71Å; R86-D268 PolarHBondContact NH1-OD2 3.34Å; R86-D268 VanDerWaalsContact NH2-CG 3.29Å; R86-D268 VanDerWaalsContact NH2-N 3.15Å; R86-D268 IonicContact NH2-OD1 2.79Å; R86-D268 PolarHBondContact NH2-OD1 3.03Å; R86-D268 IonicContact NH2-OD2 3.88Å
269	K	92.4	Very high	96.1	Very high	120 Å²	120	50.1 Å²	50.1	52%	0.522	27%	0.271	S	S	.	.			trans	-79.3	143.4	-177.1	-66.5	-173.9	-170.1	164.7	0	110.6	D267 A271	D267-K269 PolarHBondContact O-N 2.75Å; D267-K269 PolarHBondContact OD1-N 2.72Å; D267-K269 VanDerWaalsContact OD2-CD 3.23Å; D267-K269 WeakPolarHBondContact OD2-CD 3.17Å; D267-K269 WeakPolarHBondContact OD2-CE 3.17Å; D267-K269 WeakPolarHBondContact OD2-CG 3.5Å; D267-K269 IonicContact OD2-NZ 2.65Å; K269-A271 PolarHBondContact O-N 3.03Å
270	P	86.8	Confident	96.2	Very high	143 Å²	143	46.2 Å²	46.2	93%	0.929	26%	0.258	S	S	*	.	S	Bend	trans	-71.6	-15.7	-174.9	29.2	-36.4	0	0	0	113.6
271	A	91.8	Very high	96.2	Very high	62 Å²	62	49 Å²	49	51%	0.512	27%	0.274	S	S	.	.	S	Bend	trans	-138.7	142.9	-178	0	0	0	0	0	111.4	N262 K269	N262-A271 PolarHBondContact ND2-O 3.5Å; N262-A271 VanDerWaalsContact ND2-O 3.15Å; K269-A271 PolarHBondContact O-N 3.03Å
272	R	95.8	Very high	96.2	Very high	47 Å²	47	49.8 Å²	49.8	18%	0.177	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-76.2	128	168.1	-62.6	175.6	-177.6	-158.9	10.9	108.7	M62 F67 M70 S71 Y263	M62-R272 HydrophobicContact CE-CB 4.42Å; M62-R272 WeakPolarHBondContact CE-O 3.26Å; F67-R272 HydrophobicContact CE1-CB 4.38Å; F67-R272 HydrophobicContact CZ-CB 4.19Å; F67-R272 PolarHBondContact O-NH2 3Å; M70-R272 PolarHBondContact SD-NH1 3.35Å; S71-R272 PolarHBondContact OG-NH2 3.21Å; S71-R272 VanDerWaalsContact OG-NH2 3.13Å; Y263-R272 VanDerWaalsContact O-CD 3.29Å; Y263-R272 WeakPolarHBondContact O-CD 3.41Å
273	I	95.9	Very high	96.2	Very high	78 Å²	78	49.7 Å²	49.7	40%	0.4	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-96.8	146.1	179.4	-57	168.4	0	0	0	108.6	W259 N262 H275	W259-I273 HydrophobicContact CZ3-CG2 4.26Å; N262-I273 WeakPolarHBondContact OD1-CB 3.38Å; N262-I273 VanDerWaalsContact OD1-CG1 3.3Å; N262-I273 WeakPolarHBondContact OD1-CG1 3.15Å; N262-I273 PolarHBondContact OD1-N 2.9Å; I273-H275 PolarHBondContact O-N 2.82Å
274	Y	97.6	Very high	96.3	Very high	133 Å²	133	50.7 Å²	50.7	52%	0.522	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-61.1	124.1	171.4	172.1	-97.4	0	0	0	110.2	H61	H61-Y274 AromaticContact NE2-CD2 3.49Å; H61-Y274 WeakPolarHBondContact NE2-CD2 3.25Å; H61-Y274 AromaticContact NE2-CE2 3.53Å
275	H	98.3	Very high	96.3	Very high	10 Å²	10	51 Å²	51	5%	0.046	29%	0.287	C	S	.	.			trans	-115	-60.5	172.5	172.3	-142	0	0	0	110.1	F253 F254 W259 Y263 I273	F253-H275 AromaticContact CD1-NE2 3.7Å; F253-H275 AromaticContact CE1-CD2 3.4Å; F253-H275 WeakPolarHBondContact CE1-CD2 3.39Å; F253-H275 AromaticContact CE1-NE2 3.44Å; F253-H275 WeakPolarHBondContact CE1-NE2 3.38Å; F253-H275 AromaticContact CZ-CD2 3.65Å; F253-H275 AromaticContact CZ-NE2 3.97Å; F253-H275 PolarHBondContact O-NE2 3.15Å; F253-H275 VanDerWaalsContact O-NE2 3.15Å; F254-H275 PolarHBondContact O-CE1 3.37Å; F254-H275 VanDerWaalsContact O-CE1 3.31Å; W259-H275 HydrophobicContact CB-CB 4.39Å; W259-H275 AromaticContact CG-CD2 3.98Å; Y263-H275 HydrophobicContact CG-CB 4.49Å; I273-H275 PolarHBondContact O-N 2.82Å
276	H	98.6	Very high	96.4	Very high	17 Å²	17	49.6 Å²	49.6	8%	0.079	27%	0.273	C	S	.	.	S	Bend	trans	-147.4	161.7	172.8	67.7	-82.2	0	0	0	109.6	S92 F254 G278	S92-H276 WeakPolarHBondContact CB-NE2 3.33Å; S92-H276 PolarHBondContact OG-NE2 3.2Å; F254-H276 HydrophobicContact CD2-CB 4.26Å; F254-H276 HydrophobicContact CE2-CB 4.03Å; F254-H276 AromaticContact CE2-CD2 3.57Å; F254-H276 AromaticContact CE2-CG 3.59Å; F254-H276 AromaticContact CE2-ND1 3.97Å; F254-H276 AromaticContact CE2-NE2 3.96Å; H276-G278 PolarHBondContact O-N 3.23Å; H276-G278 VanDerWaalsContact O-N 3.15Å
277	T	98.5	Very high	96.4	Very high	86 Å²	86	53.4 Å²	53.4	53%	0.528	29%	0.286	S	S	.	.			trans	-70.7	106.9	172.6	-56.3	0	0	0	0	110.2	H61	H61-T277 HydrophobicContact CB-CG2 4.31Å
278	G	96.3	Very high	96.7	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.031	28%	0.284	C	S	.	.			trans	-63.5	149.4	175.6	0	0	0	0	0	112.9	H276 V280	H276-G278 PolarHBondContact O-N 3.23Å; H276-G278 VanDerWaalsContact O-N 3.15Å; G278-V280 VanDerWaalsContact C-N 3.32Å; G278-V280 PolarHBondContact O-N 3.25Å
279	P	98	Very high	97	Very high	42 Å²	42	46.7 Å²	46.7	27%	0.273	25%	0.249	S	C	.	.			trans	-76.1	79.6	-179.4	32.9	-37.9	0	0	0	111.4	S92 T230 T281 A282 F283	S92-P279 WeakPolarHBondContact OG-CD 3.42Å; T230-P279 HydrophobicContact CG2-CG 4.15Å; P279-T281 PolarHBondContact O-N 3.44Å; P279-A282 HydrophobicContact CB-CB 3.88Å; P279-A282 HydrophobicContact CG-CB 4.14Å; P279-A282 CarbonylContact O-C 3.45Å; P279-A282 WeakPolarHBondContact O-CA 3.34Å; P279-A282 WeakPolarHBondContact O-CB 3.22Å; P279-A282 PolarHBondContact O-N 3.13Å; P279-F283 HydrophobicContact CG-CD1 4.27Å; P279-F283 HydrophobicContact CG-CE1 3.86Å; P279-F283 HydrophobicContact CG-CZ 4.15Å; P279-F283 PolarHBondContact O-N 3.09Å
280	V	98.4	Very high	97.4	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.067	23%	0.227	C	C	.	.	H	α-helix	trans	-46.4	-49.9	-172.3	171.9	0	0	0	0	113.9	V58 H61 I66 G278 A282 F283 Y284	V58-V280 HydrophobicContact CG1-CB 4.33Å; V58-V280 HydrophobicContact CG1-CG1 4.24Å; H61-V280 HydrophobicContact CB-CG2 3.71Å; I66-V280 HydrophobicContact CD1-CG1 3.74Å; I66-V280 HydrophobicContact CD1-CG2 4.38Å; G278-V280 VanDerWaalsContact C-N 3.32Å; G278-V280 PolarHBondContact O-N 3.25Å; V280-A282 VanDerWaalsContact C-N 3.33Å; V280-A282 PolarHBondContact O-N 3.3Å; V280-F283 WeakPolarHBondContact O-CB 3.42Å; V280-F283 PolarHBondContact O-N 3.16Å; V280-Y284 HydrophobicContact CG1-CD1 4.47Å; V280-Y284 HydrophobicContact CG1-CE1 3.61Å; V280-Y284 HydrophobicContact CG1-CE2 3.84Å; V280-Y284 WeakPolarHBondContact CG1-OH 3.38Å; V280-Y284 VanDerWaalsContact O-CD1 3.29Å; V280-Y284 WeakPolarHBondContact O-CD1 3.49Å; V280-Y284 PolarHBondContact O-N 2.86Å; V280-Y284 VanDerWaalsContact O-N 3.08Å
281	T	98.6	Very high	97.9	Very high	59 Å²	59	35.6 Å²	35.6	36%	0.362	19%	0.191	S	C	.	.	H	α-helix	trans	-69.1	-30.5	-179.6	55.2	0	0	0	0	113.2	V58 P279 Y284 S285	V58-T281 HydrophobicContact CG2-CG2 3.77Å; P279-T281 PolarHBondContact O-N 3.44Å; T281-Y284 PolarHBondContact O-N 3.32Å; T281-S285 PolarHBondContact O-N 3.04Å; T281-S285 PolarHBondContact O-OG 3.16Å
282	A	98.6	Very high	98.3	Very high	22 Å²	22	34.8 Å²	34.8	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-71.7	-33.9	173.7	0	0	0	0	0	111.1	T230 P279 V280 S285 L286	T230-A282 HydrophobicContact CG2-CB 3.75Å; P279-A282 HydrophobicContact CB-CB 3.88Å; P279-A282 HydrophobicContact CG-CB 4.14Å; P279-A282 CarbonylContact O-C 3.45Å; P279-A282 WeakPolarHBondContact O-CA 3.34Å; P279-A282 WeakPolarHBondContact O-CB 3.22Å; P279-A282 PolarHBondContact O-N 3.13Å; V280-A282 VanDerWaalsContact C-N 3.33Å; V280-A282 PolarHBondContact O-N 3.3Å; A282-S285 PolarHBondContact O-N 2.98Å; A282-L286 WeakPolarHBondContact O-CB 3.04Å; A282-L286 PolarHBondContact O-N 3.21Å
283	F	98.8	Very high	98.4	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-41.2	171.6	-67.4	-17.6	0	0	0	112.1	I69 M70 I73 T230 W264 P279 V280 S285 L286 R287	I69-F283 HydrophobicContact CG2-CB 4.32Å; M70-F283 HydrophobicContact CG-CD2 4.3Å; M70-F283 HydrophobicContact CG-CE2 4.32Å; I73-F283 HydrophobicContact CD1-CB 3.78Å; I73-F283 HydrophobicContact CD1-CD1 4.3Å; I73-F283 HydrophobicContact CD1-CG 4.17Å; I73-F283 WeakPolarHBondContact CD1-O 3.41Å; T230-F283 HydrophobicContact CG2-CD1 4.03Å; T230-F283 HydrophobicContact CG2-CE1 4.09Å; W264-F283 HydrophobicContact CH2-CD1 4.34Å; W264-F283 AromaticContact CH2-CE1 3.87Å; W264-F283 HydrophobicContact CH2-CE1 3.87Å; W264-F283 HydrophobicContact CH2-CE2 4.35Å; W264-F283 AromaticContact CH2-CZ 3.87Å; W264-F283 HydrophobicContact CH2-CZ 3.87Å; W264-F283 AromaticContact CZ2-CE1 3.68Å; W264-F283 HydrophobicContact CZ2-CE1 3.68Å; W264-F283 HydrophobicContact CZ2-CE2 4.16Å; W264-F283 AromaticContact CZ2-CZ 3.43Å; W264-F283 HydrophobicContact CZ2-CZ 3.43Å; W264-F283 VanDerWaalsContact CZ2-CZ 3.43Å; P279-F283 HydrophobicContact CG-CD1 4.27Å; P279-F283 HydrophobicContact CG-CE1 3.86Å; P279-F283 HydrophobicContact CG-CZ 4.15Å; P279-F283 PolarHBondContact O-N 3.09Å; V280-F283 WeakPolarHBondContact O-CB 3.42Å; V280-F283 PolarHBondContact O-N 3.16Å; F283-S285 VanDerWaalsContact C-N 3.3Å; F283-S285 PolarHBondContact O-N 3.43Å; F283-L286 PolarHBondContact O-N 3.08Å; F283-R287 VanDerWaalsContact O-CB 3.32Å; F283-R287 WeakPolarHBondContact O-CB 3.46Å; F283-R287 PolarHBondContact O-N 3.1Å
284	Y	98.9	Very high	98.5	Very high	22 Å²	22	31.8 Å²	31.8	9%	0.086	18%	0.175	C	C	.	.	H	α-helix	trans	-57	-47.4	173.6	-55.9	-20.4	0	0	0	111.6	A53 K56 P57 I59 I66 I69 V280 T281 R287 E288	A53-Y284 WeakPolarHBondContact O-CB 3.4Å; A53-Y284 WeakPolarHBondContact O-CD2 3.49Å; K56-Y284 HydrophobicContact CB-CD2 3.95Å; K56-Y284 HydrophobicContact CB-CE2 3.94Å; P57-Y284 PolarHBondContact O-OH 3.2Å; I59-Y284 WeakPolarHBondContact CG1-OH 3.31Å; I66-Y284 HydrophobicContact CD1-CE1 3.68Å; I69-Y284 HydrophobicContact CD1-CD1 3.82Å; I69-Y284 HydrophobicContact CD1-CE1 3.64Å; V280-Y284 HydrophobicContact CG1-CD1 4.47Å; V280-Y284 HydrophobicContact CG1-CE1 3.61Å; V280-Y284 HydrophobicContact CG1-CE2 3.84Å; V280-Y284 WeakPolarHBondContact CG1-OH 3.38Å; V280-Y284 VanDerWaalsContact O-CD1 3.29Å; V280-Y284 WeakPolarHBondContact O-CD1 3.49Å; V280-Y284 PolarHBondContact O-N 2.86Å; V280-Y284 VanDerWaalsContact O-N 3.08Å; T281-Y284 PolarHBondContact O-N 3.32Å; Y284-R287 PolarHBondContact O-N 2.9Å; Y284-E288 PolarHBondContact O-N 3.4Å
285	S	98.9	Very high	98.6	Very high	5 Å²	5	31 Å²	31	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-41.5	-179.5	-53.3	0	0	0	0	111.8	G54 T281 A282 F283 S289	G54-S285 WeakPolarHBondContact CA-OG 3.27Å; G54-S285 PolarHBondContact N-OG 2.7Å; T281-S285 PolarHBondContact O-N 3.04Å; T281-S285 PolarHBondContact O-OG 3.16Å; A282-S285 PolarHBondContact O-N 2.98Å; F283-S285 VanDerWaalsContact C-N 3.3Å; F283-S285 PolarHBondContact O-N 3.43Å; S285-S289 WeakPolarHBondContact O-CB 3.35Å; S285-S289 PolarHBondContact O-N 3.23Å
286	L	98.9	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-44.8	176.7	180	63.1	0	0	0	111.3	I73 A90 L224 P232 A282 F283 E288 S289 L290	I73-L286 HydrophobicContact CD1-CD2 4.41Å; I73-L286 HydrophobicContact CG2-CD2 3.76Å; I73-L286 HydrophobicContact CG2-CG 4.35Å; A90-L286 HydrophobicContact CB-CD2 3.55Å; L224-L286 HydrophobicContact CD1-CD1 4.17Å; P232-L286 HydrophobicContact CG-CD1 4.28Å; A282-L286 WeakPolarHBondContact O-CB 3.04Å; A282-L286 PolarHBondContact O-N 3.21Å; F283-L286 PolarHBondContact O-N 3.08Å; L286-E288 PolarHBondContact O-N 3.31Å; L286-S289 WeakPolarHBondContact CA-OG 3.34Å; L286-S289 PolarHBondContact O-N 3.11Å; L286-S289 VanDerWaalsContact O-N 3.16Å; L286-S289 PolarHBondContact O-OG 3.13Å; L286-L290 HydrophobicContact CD1-CD1 4.35Å; L286-L290 HydrophobicContact CD1-CG 4.42Å; L286-L290 HydrophobicContact CG-CD1 4.13Å; L286-L290 WeakPolarHBondContact O-CG 3.36Å; L286-L290 PolarHBondContact O-N 2.96Å
287	R	98.9	Very high	98.6	Very high	85 Å²	85	33 Å²	33	32%	0.321	19%	0.193	S	C	.	.	H	α-helix	trans	-57.8	-49.3	176.9	-171.4	-83.9	-169.4	178.1	-1	111	I69 D72 I73 F283 Y284 S289 L290 A291	I69-R287 HydrophobicContact CG2-CB 4.15Å; I69-R287 HydrophobicContact CG2-CG 4.31Å; D72-R287 HydrophobicContact CB-CG 3.92Å; D72-R287 IonicContact OD2-CZ 3.86Å; D72-R287 VanDerWaalsContact OD2-CZ 3.32Å; D72-R287 IonicContact OD2-NE 2.61Å; D72-R287 PolarHBondContact OD2-NE 2.87Å; D72-R287 IonicContact OD2-NH2 2.59Å; D72-R287 PolarHBondContact OD2-NH2 3.26Å; I73-R287 HydrophobicContact CD1-CB 4.2Å; I73-R287 HydrophobicContact CG1-CB 3.76Å; I73-R287 HydrophobicContact CG1-CG 4.28Å; F283-R287 VanDerWaalsContact O-CB 3.32Å; F283-R287 WeakPolarHBondContact O-CB 3.46Å; F283-R287 PolarHBondContact O-N 3.1Å; Y284-R287 PolarHBondContact O-N 2.9Å; R287-S289 VanDerWaalsContact C-N 3.31Å; R287-S289 PolarHBondContact O-N 3.22Å; R287-L290 PolarHBondContact O-N 3.23Å; R287-A291 PolarHBondContact O-N 3.49Å
288	E	98.9	Very high	98.6	Very high	32 Å²	32	29.2 Å²	29.2	15%	0.15	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-33.5	177.1	-75.3	-51.5	105.7	0	0	112.8	R49 I50 A53 Y284 L286 A291 V292	R49-E288 IonicContact CZ-OE2 2.95Å; R49-E288 IonicContact NE-OE2 3.11Å; R49-E288 PolarHBondContact NE-OE2 3.13Å; R49-E288 IonicContact NH2-OE2 2.65Å; R49-E288 PolarHBondContact NH2-OE2 3.36Å; I50-E288 HydrophobicContact CG1-CB 4.23Å; A53-E288 HydrophobicContact CB-CB 4.01Å; A53-E288 HydrophobicContact CB-CG 3.49Å; A53-E288 VanDerWaalsContact CB-CG 3.49Å; Y284-E288 PolarHBondContact O-N 3.4Å; L286-E288 PolarHBondContact O-N 3.31Å; E288-A291 PolarHBondContact O-N 3.01Å; E288-V292 WeakPolarHBondContact O-CG2 3.42Å; E288-V292 PolarHBondContact O-N 3.19Å
289	S	98.9	Very high	98.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-40.5	175.1	72.9	0	0	0	0	113.3	L224 S285 L286 R287 V292 L293	L224-S289 VanDerWaalsContact O-CB 3.22Å; L224-S289 WeakPolarHBondContact O-CB 3.5Å; S285-S289 WeakPolarHBondContact O-CB 3.35Å; S285-S289 PolarHBondContact O-N 3.23Å; L286-S289 WeakPolarHBondContact CA-OG 3.34Å; L286-S289 PolarHBondContact O-N 3.11Å; L286-S289 VanDerWaalsContact O-N 3.16Å; L286-S289 PolarHBondContact O-OG 3.13Å; R287-S289 VanDerWaalsContact C-N 3.31Å; R287-S289 PolarHBondContact O-N 3.22Å; S289-V292 PolarHBondContact O-N 3.26Å; S289-L293 PolarHBondContact O-N 3.49Å; S289-L293 VanDerWaalsContact O-N 3.11Å
290	L	98.9	Very high	98.8	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-38.9	175.9	-67.9	165.9	0	0	0	110.6	I73 I77 L80 L224 L286 R287 L293 A294	I73-L290 HydrophobicContact CB-CD1 4.37Å; I73-L290 HydrophobicContact CG1-CD1 4.45Å; I73-L290 HydrophobicContact CG2-CD1 4.14Å; I77-L290 HydrophobicContact CG1-CD1 4.04Å; L80-L290 HydrophobicContact CB-CD2 4.38Å; L80-L290 HydrophobicContact CD2-CD2 4.11Å; L224-L290 HydrophobicContact CD1-CD2 4.38Å; L224-L290 HydrophobicContact CD2-CD2 4Å; L286-L290 HydrophobicContact CD1-CD1 4.35Å; L286-L290 HydrophobicContact CD1-CG 4.42Å; L286-L290 HydrophobicContact CG-CD1 4.13Å; L286-L290 WeakPolarHBondContact O-CG 3.36Å; L286-L290 PolarHBondContact O-N 2.96Å; R287-L290 PolarHBondContact O-N 3.23Å; L290-L293 PolarHBondContact O-N 3.37Å; L290-A294 WeakPolarHBondContact O-CB 3.2Å; L290-A294 PolarHBondContact O-N 2.95Å
291	A	98.9	Very high	98.8	Very high	21 Å²	21	40.3 Å²	40.3	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-45.1	174.8	0	0	0	0	0	112.1	R287 E288 L293 A294 D295	R287-A291 PolarHBondContact O-N 3.49Å; E288-A291 PolarHBondContact O-N 3.01Å; A291-L293 VanDerWaalsContact C-N 3.31Å; A291-L293 PolarHBondContact O-N 3.2Å; A291-A294 PolarHBondContact O-N 2.78Å; A291-D295 WeakPolarHBondContact O-CB 3.37Å; A291-D295 VanDerWaalsContact O-CG 3.22Å; A291-D295 PolarHBondContact O-N 2.92Å
292	V	98.8	Very high	98.8	Very high	46 Å²	46	38.5 Å²	38.5	28%	0.279	20%	0.201	S	C	.	.	H	α-helix	trans	-59	-42.3	175.9	166.7	0	0	0	0	111.5	I50 E288 S289 E296	I50-V292 HydrophobicContact CG1-CG2 4.47Å; E288-V292 WeakPolarHBondContact O-CG2 3.42Å; E288-V292 PolarHBondContact O-N 3.19Å; S289-V292 PolarHBondContact O-N 3.26Å; V292-E296 PolarHBondContact O-N 3.2Å
293	L	98.8	Very high	98.9	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-39.5	176	-179.1	66.6	0	0	0	112.1	L80 L224 S289 L290 A291 D295 E296 G297 L298	L80-L293 HydrophobicContact CD1-CD2 3.41Å; L80-L293 VanDerWaalsContact CD1-CD2 3.41Å; L224-L293 HydrophobicContact CD2-CD2 3.92Å; S289-L293 PolarHBondContact O-N 3.49Å; S289-L293 VanDerWaalsContact O-N 3.11Å; L290-L293 PolarHBondContact O-N 3.37Å; A291-L293 VanDerWaalsContact C-N 3.31Å; A291-L293 PolarHBondContact O-N 3.2Å; L293-D295 VanDerWaalsContact C-N 3.35Å; L293-E296 PolarHBondContact O-N 3.19Å; L293-G297 PolarHBondContact O-N 3.22Å; L293-L298 HydrophobicContact CD2-CD2 3.95Å; L293-L298 HydrophobicContact CG-CD2 4.37Å
294	A	98.8	Very high	98.9	Very high	50 Å²	50	45.3 Å²	45.3	41%	0.413	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-37.7	176.9	0	0	0	0	0	112.2	Y79 L290 A291 E296 G297	Y79-A294 HydrophobicContact CD1-CB 4.43Å; Y79-A294 HydrophobicContact CE1-CB 4.22Å; L290-A294 WeakPolarHBondContact O-CB 3.2Å; L290-A294 PolarHBondContact O-N 2.95Å; A291-A294 PolarHBondContact O-N 2.78Å; A294-E296 VanDerWaalsContact C-N 3.32Å; A294-E296 PolarHBondContact O-N 2.88Å; A294-G297 PolarHBondContact O-N 3.19Å
295	D	98.7	Very high	98.9	Very high	115 Å²	115	44.3 Å²	44.3	62%	0.615	22%	0.222	S	C	*	.	H	α-helix	trans	-62.1	-38.6	174.3	-70.8	-21.9	0	0	0	111.4	R49 A291 L293	R49-D295 IonicContact CZ-OD2 2.77Å; R49-D295 IonicContact NH1-OD2 3.58Å; R49-D295 PolarHBondContact NH1-OD2 3.33Å; R49-D295 IonicContact NH2-OD2 3.54Å; A291-D295 WeakPolarHBondContact O-CB 3.37Å; A291-D295 VanDerWaalsContact O-CG 3.22Å; A291-D295 PolarHBondContact O-N 2.92Å; L293-D295 VanDerWaalsContact C-N 3.35Å
296	E	98.6	Very high	98.9	Very high	54 Å²	54	47.6 Å²	47.6	25%	0.252	24%	0.237	S	C	.	.	H	α-helix	trans	-71.8	-45.5	173.8	-179.3	173.6	-164.6	0	0	111.8	V292 L293 A294 K300 R304	V292-E296 PolarHBondContact O-N 3.2Å; L293-E296 PolarHBondContact O-N 3.19Å; A294-E296 VanDerWaalsContact C-N 3.32Å; A294-E296 PolarHBondContact O-N 2.88Å; E296-K300 HydrophobicContact CG-CB 4.11Å; E296-K300 WeakPolarHBondContact O-CD 3.43Å; E296-R304 IonicContact OE1-CZ 3.89Å; E296-R304 VanDerWaalsContact OE1-CZ 3.31Å; E296-R304 IonicContact OE1-NE 2.94Å; E296-R304 PolarHBondContact OE1-NE 3.48Å; E296-R304 IonicContact OE1-NH2 3.32Å; E296-R304 PolarHBondContact OE1-NH2 2.91Å; E296-R304 VanDerWaalsContact OE1-NH2 3.08Å; E296-R304 IonicContact OE2-CZ 3.75Å; E296-R304 IonicContact OE2-NE 2.79Å; E296-R304 IonicContact OE2-NH2 3.03Å; E296-R304 PolarHBondContact OE2-NH2 3.06Å
297	G	98.8	Very high	98.9	Very high	16 Å²	16	53.2 Å²	53.2	17%	0.165	26%	0.261	C	S	.	.			trans	89.1	139.6	-169.9	0	0	0	0	0	112.7	Y79 L293 A294 E299 K300 S301	Y79-G297 WeakPolarHBondContact OH-CA 3.31Å; L293-G297 PolarHBondContact O-N 3.22Å; A294-G297 PolarHBondContact O-N 3.19Å; G297-E299 PolarHBondContact O-N 3.39Å; G297-K300 PolarHBondContact O-N 3.42Å; G297-S301 PolarHBondContact O-N 2.89Å
298	L	98.9	Very high	98.9	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-56.3	-48.6	-176.2	-75.8	171.3	0	0	0	113.7	Y79 L80 Q82 L293 K300 S301 W302	Y79-L298 HydrophobicContact CD1-CD1 4.39Å; Y79-L298 HydrophobicContact CD1-CG 4.45Å; Y79-L298 HydrophobicContact CE1-CD1 4Å; Y79-L298 HydrophobicContact CE1-CD2 4.42Å; Y79-L298 HydrophobicContact CE1-CG 3.7Å; Y79-L298 HydrophobicContact CE2-CD1 4.12Å; Y79-L298 HydrophobicContact CE2-CG 4.45Å; Y79-L298 WeakPolarHBondContact O-CD1 3.38Å; Y79-L298 PolarHBondContact OH-N 3.5Å; L80-L298 HydrophobicContact CD1-CD2 4.12Å; Q82-L298 HydrophobicContact CG-CD1 4.08Å; L293-L298 HydrophobicContact CD2-CD2 3.95Å; L293-L298 HydrophobicContact CG-CD2 4.37Å; L298-K300 VanDerWaalsContact C-N 3.33Å; L298-K300 PolarHBondContact O-N 2.92Å; L298-S301 WeakPolarHBondContact O-CB 3.44Å; L298-S301 PolarHBondContact O-N 3.41Å; L298-S301 VanDerWaalsContact O-N 3.13Å; L298-W302 HydrophobicContact CB-CD2 4.48Å; L298-W302 HydrophobicContact CB-CH2 4.14Å; L298-W302 HydrophobicContact CB-CZ2 3.74Å; L298-W302 HydrophobicContact CD1-CZ2 4.17Å; L298-W302 HydrophobicContact CD2-CZ2 4.33Å; L298-W302 HydrophobicContact CG-CZ2 4.3Å; L298-W302 PolarHBondContact O-N 2.93Å
299	E	98.9	Very high	98.9	Very high	150 Å²	150	48.3 Å²	48.3	70%	0.701	24%	0.243	S	C	*	.	H	α-helix	trans	-61.5	-42.2	-176.8	-63.3	175.1	125.6	0	0	111.9	G297 W302 E303	G297-E299 PolarHBondContact O-N 3.39Å; E299-W302 HydrophobicContact CB-CE3 4.46Å; E299-W302 HydrophobicContact CG-CE3 4.21Å; E299-W302 HydrophobicContact CG-CZ3 4.01Å; E299-W302 PolarHBondContact O-N 3.41Å; E299-E303 WeakPolarHBondContact O-CB 3.34Å; E299-E303 PolarHBondContact O-N 2.98Å
300	K	98.9	Very high	98.8	Very high	139 Å²	139	51.6 Å²	51.6	60%	0.604	26%	0.258	S	S	*	.	H	α-helix	trans	-66	-39.9	175.7	-67.8	-171.2	-166.4	156.1	0	111.5	E296 G297 L298 E303 R304	E296-K300 HydrophobicContact CG-CB 4.11Å; E296-K300 WeakPolarHBondContact O-CD 3.43Å; G297-K300 PolarHBondContact O-N 3.42Å; L298-K300 VanDerWaalsContact C-N 3.33Å; L298-K300 PolarHBondContact O-N 2.92Å; K300-E303 PolarHBondContact O-N 3.24Å; K300-R304 VanDerWaalsContact O-CB 3.27Å; K300-R304 WeakPolarHBondContact O-CB 3.29Å; K300-R304 PolarHBondContact O-N 3.19Å
301	S	98.9	Very high	98.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-48.6	173.7	-177.7	0	0	0	0	110.9	G202 G297 L298 E303 R304 H305	G202-S301 WeakPolarHBondContact O-CB 3.38Å; G202-S301 PolarHBondContact O-OG 3.2Å; G297-S301 PolarHBondContact O-N 2.89Å; L298-S301 WeakPolarHBondContact O-CB 3.44Å; L298-S301 PolarHBondContact O-N 3.41Å; L298-S301 VanDerWaalsContact O-N 3.13Å; S301-E303 PolarHBondContact O-N 3.4Å; S301-R304 PolarHBondContact O-N 3.18Å; S301-H305 PolarHBondContact O-N 2.68Å; S301-H305 PolarHBondContact O-ND1 2.83Å; S301-H305 PolarHBondContact OG-CE1 2.78Å; S301-H305 VanDerWaalsContact OG-CE1 3.3Å; S301-H305 PolarHBondContact OG-ND1 3.47Å
302	W	98.9	Very high	98.8	Very high	22 Å²	22	54.3 Å²	54.3	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-48.1	177.5	-56.5	-24.4	0	0	0	112.1	V204 P205 Y207 L298 E299 R304 H305 Q306	V204-W302 PolarHBondContact O-NE1 3.31Å; P205-W302 HydrophobicContact CB-CD2 4.34Å; P205-W302 HydrophobicContact CB-CE3 4.11Å; P205-W302 HydrophobicContact CB-CH2 4.43Å; P205-W302 HydrophobicContact CB-CZ3 4.18Å; P205-W302 HydrophobicContact CG-CD2 4.09Å; P205-W302 HydrophobicContact CG-CE3 3.88Å; P205-W302 HydrophobicContact CG-CG 4.44Å; P205-W302 HydrophobicContact CG-CZ3 4.41Å; Y207-W302 AromaticContact CE1-CH2 3.73Å; Y207-W302 HydrophobicContact CE1-CH2 3.73Å; Y207-W302 HydrophobicContact CE1-CZ3 4.22Å; Y207-W302 AromaticContact CZ-CH2 3.71Å; Y207-W302 AromaticContact CZ-CZ3 3.85Å; Y207-W302 WeakPolarHBondContact OH-CZ3 3.49Å; L298-W302 HydrophobicContact CB-CD2 4.48Å; L298-W302 HydrophobicContact CB-CH2 4.14Å; L298-W302 HydrophobicContact CB-CZ2 3.74Å; L298-W302 HydrophobicContact CD1-CZ2 4.17Å; L298-W302 HydrophobicContact CD2-CZ2 4.33Å; L298-W302 HydrophobicContact CG-CZ2 4.3Å; L298-W302 PolarHBondContact O-N 2.93Å; E299-W302 HydrophobicContact CB-CE3 4.46Å; E299-W302 HydrophobicContact CG-CE3 4.21Å; E299-W302 HydrophobicContact CG-CZ3 4.01Å; E299-W302 PolarHBondContact O-N 3.41Å; W302-R304 VanDerWaalsContact C-N 3.32Å; W302-R304 PolarHBondContact O-N 2.97Å; W302-H305 PolarHBondContact O-N 3.46Å; W302-Q306 WeakPolarHBondContact O-CB 3.34Å; W302-Q306 PolarHBondContact O-N 3.02Å
303	E	98.9	Very high	98.8	Very high	103 Å²	103	52.6 Å²	52.6	48%	0.481	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-44.4	178.4	-174.8	-175.2	-168.2	0	0	111.3	E299 K300 S301 Q306 K307	E299-E303 WeakPolarHBondContact O-CB 3.34Å; E299-E303 PolarHBondContact O-N 2.98Å; K300-E303 PolarHBondContact O-N 3.24Å; S301-E303 PolarHBondContact O-N 3.4Å; E303-Q306 PolarHBondContact O-N 2.56Å; E303-K307 VanDerWaalsContact CD-NZ 3.32Å; E303-K307 HydrophobicContact CG-CD 4.14Å; E303-K307 WeakPolarHBondContact O-CB 3.31Å; E303-K307 WeakPolarHBondContact O-CG 3.34Å; E303-K307 PolarHBondContact O-N 3.29Å; E303-K307 WeakPolarHBondContact OE1-CE 3.42Å; E303-K307 IonicContact OE1-NZ 2.85Å; E303-K307 PolarHBondContact OE1-NZ 3.22Å
304	R	98.8	Very high	98.8	Very high	63 Å²	63	54.6 Å²	54.6	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-47.6	177.4	179.8	170.3	57.2	79.4	0.7	111.5	E296 K300 S301 W302 Q306 K307 V308 G379 S382	E296-R304 IonicContact OE1-CZ 3.89Å; E296-R304 VanDerWaalsContact OE1-CZ 3.31Å; E296-R304 IonicContact OE1-NE 2.94Å; E296-R304 PolarHBondContact OE1-NE 3.48Å; E296-R304 IonicContact OE1-NH2 3.32Å; E296-R304 PolarHBondContact OE1-NH2 2.91Å; E296-R304 VanDerWaalsContact OE1-NH2 3.08Å; E296-R304 IonicContact OE2-CZ 3.75Å; E296-R304 IonicContact OE2-NE 2.79Å; E296-R304 IonicContact OE2-NH2 3.03Å; E296-R304 PolarHBondContact OE2-NH2 3.06Å; K300-R304 VanDerWaalsContact O-CB 3.27Å; K300-R304 WeakPolarHBondContact O-CB 3.29Å; K300-R304 PolarHBondContact O-N 3.19Å; S301-R304 PolarHBondContact O-N 3.18Å; W302-R304 VanDerWaalsContact C-N 3.32Å; W302-R304 PolarHBondContact O-N 2.97Å; R304-Q306 VanDerWaalsContact C-N 3.35Å; R304-Q306 PolarHBondContact O-N 3.25Å; R304-K307 PolarHBondContact O-N 3.07Å; R304-V308 HydrophobicContact CG-CG2 4.39Å; R304-V308 WeakPolarHBondContact O-CB 3.39Å; R304-V308 VanDerWaalsContact O-CG2 3.26Å; R304-V308 WeakPolarHBondContact O-CG2 3.42Å; R304-V308 PolarHBondContact O-N 3.08Å; R304-G379 PolarHBondContact NH1-O 3.18Å; R304-S382 PolarHBondContact NH1-O 3.27Å
305	H	98.9	Very high	98.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-43.1	178.6	-74	85.7	0	0	0	111.9	G203 S301 W302 V308 A309 P333 L377 G379	G203-H305 WeakPolarHBondContact O-CB 3.37Å; S301-H305 PolarHBondContact O-N 2.68Å; S301-H305 PolarHBondContact O-ND1 2.83Å; S301-H305 PolarHBondContact OG-CE1 2.78Å; S301-H305 VanDerWaalsContact OG-CE1 3.3Å; S301-H305 PolarHBondContact OG-ND1 3.47Å; W302-H305 PolarHBondContact O-N 3.46Å; H305-V308 PolarHBondContact O-N 3.28Å; H305-A309 VanDerWaalsContact O-CB 3.29Å; H305-A309 WeakPolarHBondContact O-CB 3.22Å; H305-A309 PolarHBondContact O-N 2.95Å; H305-P333 HydrophobicContact CB-CB 4.34Å; H305-L377 PolarHBondContact CD2-O 3.33Å; H305-G379 PolarHBondContact NE2-N 3.49Å
306	Q	98.9	Very high	98.8	Very high	74 Å²	74	47.3 Å²	47.3	35%	0.346	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-51.3	176.6	-175.7	61.5	29.5	0	0	111.6	W302 E303 R304 V308 A309 E310 P333	W302-Q306 WeakPolarHBondContact O-CB 3.34Å; W302-Q306 PolarHBondContact O-N 3.02Å; E303-Q306 PolarHBondContact O-N 2.56Å; R304-Q306 VanDerWaalsContact C-N 3.35Å; R304-Q306 PolarHBondContact O-N 3.25Å; Q306-V308 VanDerWaalsContact C-N 3.34Å; Q306-V308 PolarHBondContact O-N 3.1Å; Q306-A309 PolarHBondContact O-N 3.06Å; Q306-E310 PolarHBondContact NE2-OE1 2.77Å; Q306-E310 VanDerWaalsContact NE2-OE1 3.15Å; Q306-E310 WeakPolarHBondContact O-CG 3.48Å; Q306-E310 PolarHBondContact O-N 2.57Å; Q306-P333 VanDerWaalsContact OE1-CG 3.3Å
307	K	98.8	Very high	98.8	Very high	118 Å²	118	49.7 Å²	49.7	51%	0.513	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-42.3	-179.9	-74.2	177.6	-178.4	172.9	0	112.5	E303 R304 Y311	E303-K307 VanDerWaalsContact CD-NZ 3.32Å; E303-K307 HydrophobicContact CG-CD 4.14Å; E303-K307 WeakPolarHBondContact O-CB 3.31Å; E303-K307 WeakPolarHBondContact O-CG 3.34Å; E303-K307 PolarHBondContact O-N 3.29Å; E303-K307 WeakPolarHBondContact OE1-CE 3.42Å; E303-K307 IonicContact OE1-NZ 2.85Å; E303-K307 PolarHBondContact OE1-NZ 3.22Å; R304-K307 PolarHBondContact O-N 3.07Å; K307-Y311 WeakPolarHBondContact O-CB 3.45Å; K307-Y311 PolarHBondContact O-N 2.85Å
308	V	98.9	Very high	98.8	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-41.9	178.6	169.2	0	0	0	0	111.1	R304 H305 Q306 Y311 F312 L377 S382 V387	R304-V308 HydrophobicContact CG-CG2 4.39Å; R304-V308 WeakPolarHBondContact O-CB 3.39Å; R304-V308 VanDerWaalsContact O-CG2 3.26Å; R304-V308 WeakPolarHBondContact O-CG2 3.42Å; R304-V308 PolarHBondContact O-N 3.08Å; H305-V308 PolarHBondContact O-N 3.28Å; Q306-V308 VanDerWaalsContact C-N 3.34Å; Q306-V308 PolarHBondContact O-N 3.1Å; V308-Y311 PolarHBondContact O-N 2.94Å; V308-F312 WeakPolarHBondContact O-CB 3.4Å; V308-F312 PolarHBondContact O-N 3.33Å; V308-L377 HydrophobicContact CG1-CB 4.42Å; V308-L377 HydrophobicContact CG1-CD1 3.98Å; V308-S382 WeakPolarHBondContact CB-OG 3.17Å; V308-S382 WeakPolarHBondContact CG1-OG 3.42Å; V308-V387 HydrophobicContact CG1-CG2 3.62Å
309	A	98.9	Very high	98.6	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-46	176.3	0	0	0	0	0	111.4	H305 Q306 Y311 F312 H313 P333	H305-A309 VanDerWaalsContact O-CB 3.29Å; H305-A309 WeakPolarHBondContact O-CB 3.22Å; H305-A309 PolarHBondContact O-N 2.95Å; Q306-A309 PolarHBondContact O-N 3.06Å; A309-Y311 PolarHBondContact O-N 2.88Å; A309-F312 WeakPolarHBondContact O-CB 3.5Å; A309-F312 PolarHBondContact O-N 3.18Å; A309-F312 VanDerWaalsContact O-N 3.15Å; A309-H313 WeakPolarHBondContact O-CB 3.26Å; A309-H313 PolarHBondContact O-CD2 2.9Å; A309-H313 PolarHBondContact O-N 3.39Å; A309-H313 PolarHBondContact O-NE2 3.47Å; A309-P333 HydrophobicContact CB-CB 3.81Å
310	E	98.8	Very high	98.5	Very high	71 Å²	71	51.8 Å²	51.8	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-40.9	177.6	-70.5	-176.4	149.5	0	0	112.6	Q306 F312 H313 A314 K328	Q306-E310 PolarHBondContact NE2-OE1 2.77Å; Q306-E310 VanDerWaalsContact NE2-OE1 3.15Å; Q306-E310 WeakPolarHBondContact O-CG 3.48Å; Q306-E310 PolarHBondContact O-N 2.57Å; E310-F312 VanDerWaalsContact C-N 3.32Å; E310-F312 PolarHBondContact O-N 2.95Å; E310-H313 PolarHBondContact O-N 2.77Å; E310-A314 PolarHBondContact O-N 3.41Å; E310-K328 VanDerWaalsContact OE1-CE 3.24Å; E310-K328 WeakPolarHBondContact OE1-CE 3.37Å; E310-K328 IonicContact OE1-NZ 2.75Å; E310-K328 PolarHBondContact OE1-NZ 2.92Å
311	Y	98.9	Very high	98.4	Very high	87 Å²	87	45.9 Å²	45.9	34%	0.341	25%	0.249	S	C	.	.	H	α-helix	trans	-60.9	-42.5	173.6	179.2	-106.2	0	0	0	111.5	K307 V308 A309 G315 K384 V387 D388	K307-Y311 WeakPolarHBondContact O-CB 3.45Å; K307-Y311 PolarHBondContact O-N 2.85Å; V308-Y311 PolarHBondContact O-N 2.94Å; A309-Y311 PolarHBondContact O-N 2.88Å; Y311-G315 PolarHBondContact O-N 3.38Å; Y311-G315 VanDerWaalsContact O-N 3.08Å; Y311-K384 HydrophobicContact CD1-CG 3.85Å; Y311-K384 HydrophobicContact CE1-CD 4.35Å; Y311-K384 HydrophobicContact CE1-CG 3.48Å; Y311-K384 VanDerWaalsContact CE1-CG 3.48Å; Y311-K384 HydrophobicContact CE2-CG 4.47Å; Y311-K384 VanDerWaalsContact CZ-CE 3.44Å; Y311-K384 VanDerWaalsContact OH-CE 3.29Å; Y311-K384 WeakPolarHBondContact OH-CE 3.25Å; Y311-K384 PolarHBondContact OH-NZ 3.35Å; Y311-V387 HydrophobicContact CD1-CB 3.79Å; Y311-V387 HydrophobicContact CD1-CG1 3.4Å; Y311-V387 VanDerWaalsContact CD1-CG1 3.4Å; Y311-V387 HydrophobicContact CD1-CG2 4.25Å; Y311-V387 HydrophobicContact CE1-CB 3.92Å; Y311-V387 HydrophobicContact CE1-CG1 3.5Å; Y311-V387 VanDerWaalsContact CE1-CG1 3.5Å; Y311-D388 VanDerWaalsContact CE1-OD1 3.28Å; Y311-D388 WeakPolarHBondContact CE1-OD1 3.43Å; Y311-D388 PolarHBondContact OH-OD1 3.23Å
312	F	98.9	Very high	98.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-42.7	176.2	-176.9	-136.1	0	0	0	112.5	V308 A309 E310 A314 G315 L316 T336 I338 V375 L377 V387 V390 L391 L394	V308-F312 WeakPolarHBondContact O-CB 3.4Å; V308-F312 PolarHBondContact O-N 3.33Å; A309-F312 WeakPolarHBondContact O-CB 3.5Å; A309-F312 PolarHBondContact O-N 3.18Å; A309-F312 VanDerWaalsContact O-N 3.15Å; E310-F312 VanDerWaalsContact C-N 3.32Å; E310-F312 PolarHBondContact O-N 2.95Å; F312-A314 PolarHBondContact O-N 2.94Å; F312-G315 PolarHBondContact O-N 3.22Å; F312-L316 HydrophobicContact CD1-CD1 3.94Å; F312-L316 HydrophobicContact CD2-CD1 4.22Å; F312-L316 HydrophobicContact CD2-CG 4.02Å; F312-L316 HydrophobicContact CE1-CD1 3.61Å; F312-L316 HydrophobicContact CE1-CG 4.33Å; F312-L316 HydrophobicContact CE2-CD1 3.94Å; F312-L316 HydrophobicContact CE2-CD2 3.75Å; F312-L316 HydrophobicContact CE2-CG 3.72Å; F312-L316 HydrophobicContact CG-CD1 4.24Å; F312-L316 HydrophobicContact CG-CG 4.49Å; F312-L316 HydrophobicContact CZ-CD1 3.63Å; F312-L316 HydrophobicContact CZ-CD2 3.83Å; F312-L316 HydrophobicContact CZ-CG 3.89Å; F312-L316 WeakPolarHBondContact O-CG 3.4Å; F312-L316 PolarHBondContact O-N 3.1Å; F312-T336 HydrophobicContact CD1-CG2 4.11Å; F312-T336 HydrophobicContact CE1-CG2 3.9Å; F312-I338 HydrophobicContact CZ-CD1 4.2Å; F312-V375 HydrophobicContact CE1-CB 3.77Å; F312-V375 HydrophobicContact CE1-CG1 3.85Å; F312-V375 HydrophobicContact CE1-CG2 4.19Å; F312-V375 HydrophobicContact CZ-CB 3.94Å; F312-V375 HydrophobicContact CZ-CG1 3.88Å; F312-V375 HydrophobicContact CZ-CG2 3.9Å; F312-L377 HydrophobicContact CB-CD1 4.08Å; F312-L377 HydrophobicContact CD1-CD1 3.91Å; F312-L377 HydrophobicContact CG-CD1 4.04Å; F312-V387 HydrophobicContact CB-CG1 3.81Å; F312-V387 HydrophobicContact CB-CG2 3.91Å; F312-V387 HydrophobicContact CD2-CG1 3.74Å; F312-V387 HydrophobicContact CG-CG1 4.18Å; F312-V387 HydrophobicContact CG-CG2 4.46Å; F312-V390 HydrophobicContact CE2-CB 4.37Å; F312-V390 HydrophobicContact CE2-CG1 3.8Å; F312-V390 HydrophobicContact CZ-CG1 3.87Å; F312-L391 HydrophobicContact CD2-CD2 3.8Å; F312-L391 HydrophobicContact CD2-CG 4.03Å; F312-L391 HydrophobicContact CE2-CD2 3.7Å; F312-L391 HydrophobicContact CE2-CG 4.11Å; F312-L394 HydrophobicContact CE2-CD1 4.48Å; F312-L394 HydrophobicContact CZ-CD1 4.47Å
313	H	98.8	Very high	98.4	Very high	11 Å²	11	53.1 Å²	53.1	5%	0.051	28%	0.281	C	S	.	.	H	α-helix	trans	-58	-48.9	177.4	-66.1	172.7	0	0	0	111.1	A309 E310 G315 L316 E317 L323 T336	A309-H313 WeakPolarHBondContact O-CB 3.26Å; A309-H313 PolarHBondContact O-CD2 2.9Å; A309-H313 PolarHBondContact O-N 3.39Å; A309-H313 PolarHBondContact O-NE2 3.47Å; E310-H313 PolarHBondContact O-N 2.77Å; H313-G315 VanDerWaalsContact C-N 3.31Å; H313-G315 PolarHBondContact O-N 2.99Å; H313-L316 PolarHBondContact O-N 2.97Å; H313-E317 WeakPolarHBondContact O-CG 3.44Å; H313-E317 PolarHBondContact O-N 3.33Å; H313-L323 HydrophobicContact CB-CD1 3.73Å; H313-T336 PolarHBondContact NE2-OG1 3.45Å
314	A	98.8	Very high	98.3	Very high	53 Å²	53	50.1 Å²	50.1	44%	0.438	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-40.8	176.4	0	0	0	0	0	112.1	E310 F312 E317 S318	E310-A314 PolarHBondContact O-N 3.41Å; F312-A314 PolarHBondContact O-N 2.94Å; A314-E317 PolarHBondContact O-N 3.02Å; A314-S318 WeakPolarHBondContact O-CB 3.28Å; A314-S318 PolarHBondContact O-N 3.36Å
315	G	98.8	Very high	98.3	Very high	12 Å²	12	47.3 Å²	47.3	12%	0.124	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-45.6	175.3	0	0	0	0	0	112.9	Y311 F312 H313 S318 M319	Y311-G315 PolarHBondContact O-N 3.38Å; Y311-G315 VanDerWaalsContact O-N 3.08Å; F312-G315 PolarHBondContact O-N 3.22Å; H313-G315 VanDerWaalsContact C-N 3.31Å; H313-G315 PolarHBondContact O-N 2.99Å; G315-S318 PolarHBondContact O-N 2.92Å; G315-S318 PolarHBondContact O-OG 3.1Å; G315-M319 WeakPolarHBondContact O-CG 3.4Å; G315-M319 PolarHBondContact O-N 3.4Å
316	L	98.6	Very high	98.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-47.2	176.9	-70	169.6	0	0	0	112	F312 H313 S318 M319 G320 L321 L323 T336 I338 L391 L394	F312-L316 HydrophobicContact CD1-CD1 3.94Å; F312-L316 HydrophobicContact CD2-CD1 4.22Å; F312-L316 HydrophobicContact CD2-CG 4.02Å; F312-L316 HydrophobicContact CE1-CD1 3.61Å; F312-L316 HydrophobicContact CE1-CG 4.33Å; F312-L316 HydrophobicContact CE2-CD1 3.94Å; F312-L316 HydrophobicContact CE2-CD2 3.75Å; F312-L316 HydrophobicContact CE2-CG 3.72Å; F312-L316 HydrophobicContact CG-CD1 4.24Å; F312-L316 HydrophobicContact CG-CG 4.49Å; F312-L316 HydrophobicContact CZ-CD1 3.63Å; F312-L316 HydrophobicContact CZ-CD2 3.83Å; F312-L316 HydrophobicContact CZ-CG 3.89Å; F312-L316 WeakPolarHBondContact O-CG 3.4Å; F312-L316 PolarHBondContact O-N 3.1Å; H313-L316 PolarHBondContact O-N 2.97Å; L316-S318 VanDerWaalsContact C-N 3.31Å; L316-S318 PolarHBondContact O-N 3.18Å; L316-M319 WeakPolarHBondContact O-CB 3.38Å; L316-M319 PolarHBondContact O-N 3.26Å; L316-G320 PolarHBondContact O-N 3.49Å; L316-L321 HydrophobicContact CB-CB 4.35Å; L316-L321 HydrophobicContact CD2-CD1 3.68Å; L316-L321 WeakPolarHBondContact O-CB 3.22Å; L316-L321 PolarHBondContact O-N 3.46Å; L316-L321 VanDerWaalsContact O-N 3.1Å; L316-L323 HydrophobicContact CD1-CD2 3.72Å; L316-T336 HydrophobicContact CD1-CG2 3.96Å; L316-I338 HydrophobicContact CD1-CD1 3.94Å; L316-I338 HydrophobicContact CD1-CG1 3.79Å; L316-I338 HydrophobicContact CD2-CD1 3.58Å; L316-I338 HydrophobicContact CD2-CG1 4.19Å; L316-I338 HydrophobicContact CG-CD1 4.43Å; L316-L391 HydrophobicContact CD2-CD2 4.04Å; L316-L391 HydrophobicContact CG-CD2 4.15Å; L316-L394 HydrophobicContact CD2-CD1 3.75Å
317	E	98.3	Very high	98	Very high	104 Å²	104	57.1 Å²	57.1	49%	0.486	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-38.7	179.5	-71.6	173.1	165.8	0	0	111.3	H313 A314 M319 G320 L323 R331	H313-E317 WeakPolarHBondContact O-CG 3.44Å; H313-E317 PolarHBondContact O-N 3.33Å; A314-E317 PolarHBondContact O-N 3.02Å; E317-M319 PolarHBondContact O-N 3.21Å; E317-G320 PolarHBondContact O-N 3.33Å; E317-L323 HydrophobicContact CG-CD1 4.39Å; E317-R331 IonicContact OE1-NH1 2.81Å
318	S	97.9	Very high	97.9	Very high	100 Å²	100	57.2 Å²	57.2	70%	0.699	30%	0.3	S	S	*	.	H	α-helix	trans	-63.2	-22.7	175	80.6	0	0	0	0	113.9	A314 G315 L316 G320	A314-S318 WeakPolarHBondContact O-CB 3.28Å; A314-S318 PolarHBondContact O-N 3.36Å; G315-S318 PolarHBondContact O-N 2.92Å; G315-S318 PolarHBondContact O-OG 3.1Å; L316-S318 VanDerWaalsContact C-N 3.31Å; L316-S318 PolarHBondContact O-N 3.18Å; S318-G320 VanDerWaalsContact C-N 3.32Å
319	M	96.1	Very high	97.8	Very high	52 Å²	52	62.2 Å²	62.2	26%	0.256	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.3	174.5	-65.5	172.8	52.5	0	0	112.9	G315 L316 E317 L321 L391 L394 K395 L398	G315-M319 WeakPolarHBondContact O-CG 3.4Å; G315-M319 PolarHBondContact O-N 3.4Å; L316-M319 WeakPolarHBondContact O-CB 3.38Å; L316-M319 PolarHBondContact O-N 3.26Å; E317-M319 PolarHBondContact O-N 3.21Å; M319-L321 HydrophobicContact CB-CG 4.38Å; M319-L321 HydrophobicContact CE-CD1 4.14Å; M319-L321 PolarHBondContact O-N 3.06Å; M319-L391 HydrophobicContact SD-CB 4.37Å; M319-L391 HydrophobicContact SD-CD2 3.88Å; M319-L394 HydrophobicContact CE-CB 3.96Å; M319-K395 HydrophobicContact CE-CB 3.72Å; M319-K395 HydrophobicContact CE-CG 4.49Å; M319-K395 HydrophobicContact SD-CB 4.48Å; M319-L398 HydrophobicContact CE-CD1 3.9Å
320	G	96.1	Very high	97.7	Very high	64 Å²	64	62.2 Å²	62.2	66%	0.66	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	10	-174.7	0	0	0	0	0	114.2	L316 E317 S318	L316-G320 PolarHBondContact O-N 3.49Å; E317-G320 PolarHBondContact O-N 3.33Å; S318-G320 VanDerWaalsContact C-N 3.32Å
321	L	97.4	Very high	97.7	Very high	16 Å²	16	60.7 Å²	60.7	8%	0.084	31%	0.313	C	S	.	.			trans	-78.7	148.8	173.6	-64.6	174.1	0	0	0	110.1	L316 M319 I338 P341 L398	L316-L321 HydrophobicContact CB-CB 4.35Å; L316-L321 HydrophobicContact CD2-CD1 3.68Å; L316-L321 WeakPolarHBondContact O-CB 3.22Å; L316-L321 PolarHBondContact O-N 3.46Å; L316-L321 VanDerWaalsContact O-N 3.1Å; M319-L321 HydrophobicContact CB-CG 4.38Å; M319-L321 HydrophobicContact CE-CD1 4.14Å; M319-L321 PolarHBondContact O-N 3.06Å; L321-I338 HydrophobicContact CB-CG2 4.03Å; L321-I338 HydrophobicContact CD1-CG2 4.33Å; L321-P341 HydrophobicContact CD2-CB 4.12Å; L321-P341 HydrophobicContact CD2-CG 4.41Å; L321-L398 HydrophobicContact CD1-CD1 4.23Å; L321-L398 HydrophobicContact CD2-CD1 4.07Å; L321-L398 HydrophobicContact CG-CD1 4.35Å
322	K	97.8	Very high	97.7	Very high	154 Å²	154	56.6 Å²	56.6	67%	0.67	30%	0.297	S	S	*	.			trans	-107.8	133.6	-179	-61.9	-176.3	-178	-179.1	0	110.3	V339	K322-V339 HydrophobicContact CB-CB 4.17Å; K322-V339 HydrophobicContact CB-CG2 3.93Å; K322-V339 PolarHBondContact O-N 3.39Å
323	L	98.4	Very high	97.7	Very high	19 Å²	19	56.7 Å²	56.7	10%	0.099	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-73.7	136.2	169.4	-65	162.2	0	0	0	109.1	H313 L316 E317 R331 T336	H313-L323 HydrophobicContact CB-CD1 3.73Å; L316-L323 HydrophobicContact CD1-CD2 3.72Å; E317-L323 HydrophobicContact CG-CD1 4.39Å; L323-R331 VanDerWaalsContact CD1-CZ 3.42Å; L323-T336 HydrophobicContact CD2-CG2 3.4Å; L323-T336 VanDerWaalsContact CD2-CG2 3.4Å
324	F	98.3	Very high	97.7	Very high	41 Å²	41	56.2 Å²	56.2	18%	0.18	30%	0.296	C	S	.	.	S	Bend	trans	-73	-41.7	-175.6	179.2	-107	0	0	0	111.8	P143 K326 T337 V339 L371 V372	P143-F324 HydrophobicContact CB-CE1 4.34Å; P143-F324 HydrophobicContact CB-CZ 3.99Å; P143-F324 WeakPolarHBondContact O-CZ 3.42Å; F324-K326 PolarHBondContact O-N 2.69Å; F324-T337 PolarHBondContact N-O 2.85Å; F324-V339 HydrophobicContact CB-CG2 4.19Å; F324-V339 HydrophobicContact CD2-CG2 4.25Å; F324-L371 HydrophobicContact CE2-CB 4.36Å; F324-V372 HydrophobicContact CB-CG1 3.72Å; F324-V372 HydrophobicContact CD1-CG1 3.85Å; F324-V372 HydrophobicContact CD2-CG1 3.38Å; F324-V372 HydrophobicContact CE1-CG1 4.28Å; F324-V372 HydrophobicContact CE2-CG1 3.88Å; F324-V372 HydrophobicContact CG-CG1 3.37Å; F324-V372 HydrophobicContact CZ-CG1 4.3Å
325	V	98.3	Very high	97.7	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	28%	0.275	C	S	.	.			trans	-80.3	113.3	172.4	-177.4	0	0	0	0	109.5	T173 V175 A330 R331	T173-V325 WeakPolarHBondContact O-CG2 3.42Å; V175-V325 HydrophobicContact CG2-CG1 4.42Å; V175-V325 HydrophobicContact CG2-CG2 3.61Å; V325-A330 HydrophobicContact CG1-CB 4.01Å; V325-R331 HydrophobicContact CB-CG 3.97Å; V325-R331 HydrophobicContact CG1-CG 4Å; V325-R331 PolarHBondContact O-NE 3.42Å
326	K	95.4	Very high	97.7	Very high	187 Å²	187	53.4 Å²	53.4	81%	0.813	27%	0.271	S	S	*	.			trans	-69.8	-52.1	-173.5	-65.7	179.8	-178.4	174.5	0	111.9	F324 K328 R331	F324-K326 PolarHBondContact O-N 2.69Å; K326-K328 PolarHBondContact O-N 3.26Å; K326-R331 PolarHBondContact O-NH2 3.48Å
327	E	96	Very high	97.7	Very high	93 Å²	93	53.6 Å²	53.6	44%	0.435	27%	0.272	S	S	.	.	S	Bend	trans	-68.4	120.5	-177.8	-75.7	171.9	-120.5	0	0	111.1	Y146 H329 A330	Y146-E327 WeakPolarHBondContact CE1-OE2 3.36Å; Y146-E327 PolarHBondContact OH-OE2 3.1Å; E327-H329 VanDerWaalsContact C-N 3.34Å; E327-H329 PolarHBondContact O-N 2.9Å; E327-H329 IonicContact OE2-CE1 3.85Å; E327-H329 PolarHBondContact OE2-CE1 3.05Å; E327-H329 IonicContact OE2-NE2 2.96Å; E327-H329 PolarHBondContact OE2-NE2 3.14Å; E327-H329 VanDerWaalsContact OE2-NE2 3.11Å; E327-A330 HydrophobicContact CB-CB 4Å; E327-A330 PolarHBondContact O-N 3.21Å; E327-A330 VanDerWaalsContact O-N 3.17Å
328	K	96.6	Very high	97.8	Very high	121 Å²	121	48.7 Å²	48.7	53%	0.526	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-60.5	-41.7	-174.7	-175.4	-178.8	173.9	-169.8	0	112.2	E310 K326 A330 R331	E310-K328 VanDerWaalsContact OE1-CE 3.24Å; E310-K328 WeakPolarHBondContact OE1-CE 3.37Å; E310-K328 IonicContact OE1-NZ 2.75Å; E310-K328 PolarHBondContact OE1-NZ 2.92Å; K326-K328 PolarHBondContact O-N 3.26Å; K328-A330 PolarHBondContact O-N 3.06Å; K328-R331 WeakPolarHBondContact O-CB 3.26Å; K328-R331 PolarHBondContact O-N 3.42Å
329	H	96.6	Very high	97.8	Very high	118 Å²	118	46.5 Å²	46.5	55%	0.546	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-70.1	-20.2	-179.3	63.5	-79.3	0	0	0	113.5	Y146 E327	Y146-H329 PolarHBondContact OH-NE2 3.19Å; E327-H329 VanDerWaalsContact C-N 3.34Å; E327-H329 PolarHBondContact O-N 2.9Å; E327-H329 IonicContact OE2-CE1 3.85Å; E327-H329 PolarHBondContact OE2-CE1 3.05Å; E327-H329 IonicContact OE2-NE2 2.96Å; E327-H329 PolarHBondContact OE2-NE2 3.14Å; E327-H329 VanDerWaalsContact OE2-NE2 3.11Å
330	A	97.9	Very high	97.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-91.8	2.2	177.2	0	0	0	0	0	112.9	Y146 V175 L176 V325 E327 K328	Y146-A330 HydrophobicContact CD1-CB 3.93Å; Y146-A330 HydrophobicContact CE1-CB 3.81Å; V175-A330 CarbonylContact C-O 3.59Å; V175-A330 WeakPolarHBondContact CA-O 3.47Å; L176-A330 PolarHBondContact N-O 3.35Å; V325-A330 HydrophobicContact CG1-CB 4.01Å; E327-A330 HydrophobicContact CB-CB 4Å; E327-A330 PolarHBondContact O-N 3.21Å; E327-A330 VanDerWaalsContact O-N 3.17Å; K328-A330 PolarHBondContact O-N 3.06Å
331	R	98.7	Very high	97.4	Very high	39 Å²	39	43.2 Å²	43.2	15%	0.147	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-79.5	124.7	177.6	-69	170.3	-172.4	171.6	2.9	109.7	E317 L323 V325 K326 K328 P333	E317-R331 IonicContact OE1-NH1 2.81Å; L323-R331 VanDerWaalsContact CD1-CZ 3.42Å; V325-R331 HydrophobicContact CB-CG 3.97Å; V325-R331 HydrophobicContact CG1-CG 4Å; V325-R331 PolarHBondContact O-NE 3.42Å; K326-R331 PolarHBondContact O-NH2 3.48Å; K328-R331 WeakPolarHBondContact O-CB 3.26Å; K328-R331 PolarHBondContact O-N 3.42Å; R331-P333 VanDerWaalsContact O-CD 3.25Å; R331-P333 WeakPolarHBondContact O-CD 3.5Å
332	L	98.8	Very high	97.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.241	C	C	.	.			trans	-71.8	116.6	174.4	-178.7	61.5	0	0	0	110.8	G174 L176 A199 T334 V335	G174-L332 VanDerWaalsContact O-CB 3.3Å; G174-L332 WeakPolarHBondContact O-CB 3.31Å; G174-L332 PolarHBondContact O-N 2.94Å; L176-L332 HydrophobicContact CB-CB 4.3Å; L176-L332 HydrophobicContact CB-CD1 4.36Å; L176-L332 HydrophobicContact CD1-CD1 4.01Å; A199-L332 HydrophobicContact CB-CD2 4.2Å; L332-T334 VanDerWaalsContact C-N 3.26Å; L332-T334 WeakPolarHBondContact CD1-OG1 3.45Å; L332-T334 WeakPolarHBondContact CG-OG1 3.28Å; L332-T334 PolarHBondContact O-N 3.1Å; L332-V335 HydrophobicContact CD2-CB 4.09Å; L332-V335 HydrophobicContact CD2-CG2 4.43Å; L332-V335 CarbonylContact O-C 3.54Å; L332-V335 PolarHBondContact O-N 3.47Å
333	P	98.8	Very high	96.7	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.013	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.3	-177.1	-28.4	39.2	0	0	0	114	V204 H305 Q306 A309 R331	V204-P333 HydrophobicContact CG1-CB 4.42Å; V204-P333 HydrophobicContact CG1-CG 3.63Å; H305-P333 HydrophobicContact CB-CB 4.34Å; Q306-P333 VanDerWaalsContact OE1-CG 3.3Å; A309-P333 HydrophobicContact CB-CB 3.81Å; R331-P333 VanDerWaalsContact O-CD 3.25Å; R331-P333 WeakPolarHBondContact O-CD 3.5Å
334	T	98.9	Very high	96.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-26.7	-175.8	51.7	0	0	0	0	113.7	A199 V223 L332 G376 L377 M378	A199-T334 VanDerWaalsContact O-CB 3.3Å; A199-T334 WeakPolarHBondContact O-CB 3.38Å; A199-T334 PolarHBondContact O-OG1 2.88Å; V223-T334 HydrophobicContact CG2-CG2 3.55Å; L332-T334 VanDerWaalsContact C-N 3.26Å; L332-T334 WeakPolarHBondContact CD1-OG1 3.45Å; L332-T334 WeakPolarHBondContact CG-OG1 3.28Å; L332-T334 PolarHBondContact O-N 3.1Å; T334-G376 CarbonylContact O-C 3.57Å; T334-G376 WeakPolarHBondContact O-CA 3.46Å; T334-L377 PolarHBondContact O-N 2.83Å; T334-M378 HydrophobicContact CG2-CG 4.43Å; T334-M378 WeakPolarHBondContact O-CG 3.46Å
335	V	98.8	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	107.7	179.5	-176.8	0	0	0	0	110	P41 G174 L332 R374 V375 M378	P41-V335 HydrophobicContact CB-CG1 3.88Å; P41-V335 HydrophobicContact CB-CG2 4.12Å; G174-V335 WeakPolarHBondContact CA-O 3.33Å; L332-V335 HydrophobicContact CD2-CB 4.09Å; L332-V335 HydrophobicContact CD2-CG2 4.43Å; L332-V335 CarbonylContact O-C 3.54Å; L332-V335 PolarHBondContact O-N 3.47Å; V335-R374 HydrophobicContact CG1-CB 4.47Å; V335-V375 CarbonylContact C-O 3.57Å; V335-V375 WeakPolarHBondContact CA-O 3.42Å; V335-M378 HydrophobicContact CG2-SD 4.38Å
336	T	98.9	Very high	96	Very high	6 Å²	6	50 Å²	50	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.3	176.8	-66	0	0	0	0	110.7	F312 H313 L316 L323 I338 R374 V375	F312-T336 HydrophobicContact CD1-CG2 4.11Å; F312-T336 HydrophobicContact CE1-CG2 3.9Å; H313-T336 PolarHBondContact NE2-OG1 3.45Å; L316-T336 HydrophobicContact CD1-CG2 3.96Å; L323-T336 HydrophobicContact CD2-CG2 3.4Å; L323-T336 VanDerWaalsContact CD2-CG2 3.4Å; T336-I338 HydrophobicContact CG2-CG1 4.39Å; T336-R374 WeakPolarHBondContact O-CA 3.07Å; T336-V375 PolarHBondContact N-O 3.47Å; T336-V375 PolarHBondContact O-N 2.71Å
337	T	98.8	Very high	96	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.2	173.4	45.5	0	0	0	0	111.1	T173 F324 V372 L373 R374	T173-T337 WeakPolarHBondContact O-CB 3.4Å; T173-T337 WeakPolarHBondContact O-CG2 3.31Å; T173-T337 PolarHBondContact O-OG1 2.87Å; F324-T337 PolarHBondContact N-O 2.85Å; T337-V372 HydrophobicContact CG2-CG2 4.24Å; T337-L373 WeakPolarHBondContact CA-O 3.5Å; T337-R374 HydrophobicContact CG2-CG 4.04Å
338	I	98.6	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.2	-178.1	-51.2	164	0	0	0	106.9	F312 L316 L321 T336 A340 V372 L373 V375 L394	F312-I338 HydrophobicContact CZ-CD1 4.2Å; L316-I338 HydrophobicContact CD1-CD1 3.94Å; L316-I338 HydrophobicContact CD1-CG1 3.79Å; L316-I338 HydrophobicContact CD2-CD1 3.58Å; L316-I338 HydrophobicContact CD2-CG1 4.19Å; L316-I338 HydrophobicContact CG-CD1 4.43Å; L321-I338 HydrophobicContact CB-CG2 4.03Å; L321-I338 HydrophobicContact CD1-CG2 4.33Å; T336-I338 HydrophobicContact CG2-CG1 4.39Å; I338-A340 PolarHBondContact O-N 2.99Å; I338-V372 CarbonylContact O-C 3.53Å; I338-V372 WeakPolarHBondContact O-CA 3.47Å; I338-V372 WeakPolarHBondContact O-CB 3.42Å; I338-L373 HydrophobicContact CB-CB 4.32Å; I338-L373 PolarHBondContact N-O 3.35Å; I338-L373 PolarHBondContact O-N 3.08Å; I338-V375 HydrophobicContact CD1-CG2 4.01Å; I338-L394 HydrophobicContact CD1-CD1 4.12Å
339	V	98.1	Very high	96	Very high	55 Å²	55	41.8 Å²	41.8	33%	0.333	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	129.6	173.8	-178.4	0	0	0	0	108.8	K322 F324 P341	K322-V339 HydrophobicContact CB-CB 4.17Å; K322-V339 HydrophobicContact CB-CG2 3.93Å; K322-V339 PolarHBondContact O-N 3.39Å; F324-V339 HydrophobicContact CB-CG2 4.19Å; F324-V339 HydrophobicContact CD2-CG2 4.25Å; V339-P341 WeakPolarHBondContact O-CD 2.93Å; V339-P341 VanDerWaalsContact O-N 3.16Å
340	A	94.6	Very high	96.1	Very high	24 Å²	24	37.3 Å²	37.3	20%	0.198	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-56.2	121.8	176.8	0	0	0	0	0	109.2	I338 H342 L371	I338-A340 PolarHBondContact O-N 2.99Å; A340-H342 PolarHBondContact O-N 2.63Å; A340-L371 WeakPolarHBondContact CB-O 3.4Å; A340-L371 PolarHBondContact N-O 3.08Å
341	P	90.8	Very high	96.1	Very high	22 Å²	22	40 Å²	40	14%	0.143	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-69	134.4	-171.6	23.9	-29.8	0	0	0	110.6	L321 V339 Y344 I349 L398	L321-P341 HydrophobicContact CD2-CB 4.12Å; L321-P341 HydrophobicContact CD2-CG 4.41Å; V339-P341 WeakPolarHBondContact O-CD 2.93Å; V339-P341 VanDerWaalsContact O-N 3.16Å; P341-Y344 HydrophobicContact CB-CD2 3.65Å; P341-Y344 HydrophobicContact CB-CE2 4.15Å; P341-Y344 HydrophobicContact CB-CG 4.4Å; P341-Y344 HydrophobicContact CG-CD2 3.74Å; P341-Y344 HydrophobicContact CG-CE2 4.44Å; P341-Y344 HydrophobicContact CG-CG 3.98Å; P341-Y344 WeakPolarHBondContact O-CB 3.49Å; P341-Y344 PolarHBondContact O-N 2.94Å; P341-I349 HydrophobicContact CG-CD1 3.76Å; P341-L398 HydrophobicContact CB-CD2 4.28Å; P341-L398 HydrophobicContact CG-CD2 3.82Å
342	H	89.1	Confident	96.1	Very high	184 Å²	184	40.7 Å²	40.7	85%	0.852	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	139.5	179.9	-179.6	-86.9	0	0	0	111.2	A340 Y344	A340-H342 PolarHBondContact O-N 2.63Å; H342-Y344 VanDerWaalsContact C-N 3.27Å; H342-Y344 VanDerWaalsContact O-CD2 3.29Å; H342-Y344 WeakPolarHBondContact O-CD2 3.37Å; H342-Y344 PolarHBondContact O-N 3.23Å
343	G	89.4	Confident	96	Very high	30 Å²	30	40.7 Å²	40.7	31%	0.309	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	1.5	-177.8	0	0	0	0	0	114.8	R403	G343-R403 PolarHBondContact O-N 3.08Å
344	Y	92.3	Very high	96	Very high	58 Å²	58	43 Å²	43	23%	0.227	22%	0.222	C	C	.	.			trans	-112.9	149.4	176.1	-63.9	-95.3	0	0	0	112.4	P341 H342 I349 L398 C401 H402	P341-Y344 HydrophobicContact CB-CD2 3.65Å; P341-Y344 HydrophobicContact CB-CE2 4.15Å; P341-Y344 HydrophobicContact CB-CG 4.4Å; P341-Y344 HydrophobicContact CG-CD2 3.74Å; P341-Y344 HydrophobicContact CG-CE2 4.44Å; P341-Y344 HydrophobicContact CG-CG 3.98Å; P341-Y344 WeakPolarHBondContact O-CB 3.49Å; P341-Y344 PolarHBondContact O-N 2.94Å; H342-Y344 VanDerWaalsContact C-N 3.27Å; H342-Y344 VanDerWaalsContact O-CD2 3.29Å; H342-Y344 WeakPolarHBondContact O-CD2 3.37Å; H342-Y344 PolarHBondContact O-N 3.23Å; Y344-I349 HydrophobicContact CD1-CD1 4.05Å; Y344-I349 HydrophobicContact CD1-CG1 4.31Å; Y344-I349 HydrophobicContact CG-CD1 4.03Å; Y344-L398 HydrophobicContact CD1-CD2 4.13Å; Y344-L398 HydrophobicContact CD2-CD2 4.21Å; Y344-L398 HydrophobicContact CE1-CB 4.29Å; Y344-L398 HydrophobicContact CE1-CD2 3.74Å; Y344-L398 WeakPolarHBondContact CE1-O 3.44Å; Y344-L398 HydrophobicContact CE2-CD2 3.83Å; Y344-L398 HydrophobicContact CG-CD2 4.35Å; Y344-L398 PolarHBondContact OH-O 2.9Å; Y344-C401 HydrophobicContact CD1-CB 4.21Å; Y344-H402 HydrophobicContact CD1-CB 4.49Å; Y344-H402 HydrophobicContact CE1-CB 3.67Å; Y344-H402 AromaticContact CE1-CD2 3.97Å; Y344-H402 AromaticContact CE2-CD2 3.52Å; Y344-H402 AromaticContact CZ-CD2 3.4Å; Y344-H402 AromaticContact CZ-CG 3.98Å; Y344-H402 PolarHBondContact OH-CD2 3.13Å
345	D	94	Very high	96	Very high	42 Å²	42	51.5 Å²	51.5	23%	0.225	26%	0.259	C	S	.	.			trans	-95	112.6	166	179.7	-12.1	0	0	0	108	K347 K348 I349 R403	D345-K347 PolarHBondContact O-N 3.33Å; D345-K347 VanDerWaalsContact O-N 3.12Å; D345-K347 WeakPolarHBondContact OD1-CB 3.2Å; D345-K347 PolarHBondContact OD1-N 2.8Å; D345-K347 VanDerWaalsContact OD1-N 3.08Å; D345-K348 HydrophobicContact CB-CB 4.23Å; D345-K348 HydrophobicContact CB-CD 4.11Å; D345-K348 HydrophobicContact CB-CG 3.97Å; D345-K348 WeakPolarHBondContact O-CB 3.42Å; D345-K348 PolarHBondContact O-N 3.04Å; D345-I349 PolarHBondContact O-N 2.75Å; D345-R403 IonicContact OD2-CZ 3.87Å; D345-R403 IonicContact OD2-NH2 2.82Å; D345-R403 PolarHBondContact OD2-NH2 3.16Å
346	W	94.1	Very high	96	Very high	63 Å²	63	54.9 Å²	54.9	24%	0.239	28%	0.28	C	S	.	.	H	α-helix	trans	-56.2	-32.2	-176.5	71	-98.9	0	0	0	112	K348 I349 T350 L373	W346-K348 VanDerWaalsContact C-N 3.32Å; W346-K348 PolarHBondContact O-N 2.74Å; W346-I349 PolarHBondContact O-N 3.01Å; W346-T350 HydrophobicContact CE3-CG2 4.12Å; W346-T350 WeakPolarHBondContact O-CG2 3.44Å; W346-T350 PolarHBondContact O-N 2.78Å; W346-T350 PolarHBondContact O-OG1 2.82Å; W346-L373 HydrophobicContact CB-CD2 3.9Å
347	K	95.7	Very high	95.9	Very high	129 Å²	129	57.7 Å²	57.7	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-66.2	-35.9	177.8	-63.9	-179.9	179.1	177.8	0	111.7	D345 T350 A351	D345-K347 PolarHBondContact O-N 3.33Å; D345-K347 VanDerWaalsContact O-N 3.12Å; D345-K347 WeakPolarHBondContact OD1-CB 3.2Å; D345-K347 PolarHBondContact OD1-N 2.8Å; D345-K347 VanDerWaalsContact OD1-N 3.08Å; K347-T350 PolarHBondContact O-OG1 2.85Å; K347-T350 VanDerWaalsContact O-OG1 3.14Å; K347-A351 WeakPolarHBondContact O-CB 3.43Å; K347-A351 PolarHBondContact O-N 3Å
348	K	96.7	Very high	95.9	Very high	98 Å²	98	59.4 Å²	59.4	43%	0.426	31%	0.305	S	S	.	.	H	α-helix	trans	-68.6	-40.7	176	-68.5	-172.3	179.3	-174.8	0	111	D345 W346 Y352 C401	D345-K348 HydrophobicContact CB-CB 4.23Å; D345-K348 HydrophobicContact CB-CD 4.11Å; D345-K348 HydrophobicContact CB-CG 3.97Å; D345-K348 WeakPolarHBondContact O-CB 3.42Å; D345-K348 PolarHBondContact O-N 3.04Å; W346-K348 VanDerWaalsContact C-N 3.32Å; W346-K348 PolarHBondContact O-N 2.74Å; K348-Y352 WeakPolarHBondContact O-CB 3.49Å; K348-Y352 PolarHBondContact O-N 3.33Å; K348-C401 HydrophobicContact CB-CB 4.44Å
349	I	97.3	Very high	95.9	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-54.9	175	-65.1	174.8	0	0	0	110.3	P341 Y344 D345 W346 A351 Y352 I353 I361 L373 L394 A397 L398 C401	P341-I349 HydrophobicContact CG-CD1 3.76Å; Y344-I349 HydrophobicContact CD1-CD1 4.05Å; Y344-I349 HydrophobicContact CD1-CG1 4.31Å; Y344-I349 HydrophobicContact CG-CD1 4.03Å; D345-I349 PolarHBondContact O-N 2.75Å; W346-I349 PolarHBondContact O-N 3.01Å; I349-A351 VanDerWaalsContact C-N 3.35Å; I349-A351 PolarHBondContact O-N 3Å; I349-Y352 PolarHBondContact O-N 3.07Å; I349-I353 HydrophobicContact CG2-CD1 3.78Å; I349-I353 WeakPolarHBondContact O-CG1 3.29Å; I349-I353 PolarHBondContact O-N 3.33Å; I349-I361 HydrophobicContact CG2-CD1 4.43Å; I349-L373 HydrophobicContact CD1-CD1 4.29Å; I349-L373 HydrophobicContact CG2-CD1 4.09Å; I349-L394 HydrophobicContact CG2-CD2 4.45Å; I349-A397 HydrophobicContact CG2-CB 4.04Å; I349-L398 HydrophobicContact CD1-CD2 4.31Å; I349-C401 HydrophobicContact CG1-CB 4.23Å
350	T	97.4	Very high	95.9	Very high	24 Å²	24	59.3 Å²	59.3	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-40.7	-177	58.9	0	0	0	0	111.8	W346 K347 M354 I361 L373	W346-T350 HydrophobicContact CE3-CG2 4.12Å; W346-T350 WeakPolarHBondContact O-CG2 3.44Å; W346-T350 PolarHBondContact O-N 2.78Å; W346-T350 PolarHBondContact O-OG1 2.82Å; K347-T350 PolarHBondContact O-OG1 2.85Å; K347-T350 VanDerWaalsContact O-OG1 3.14Å; T350-M354 WeakPolarHBondContact O-CB 3.43Å; T350-M354 PolarHBondContact O-N 2.82Å; T350-I361 HydrophobicContact CG2-CD1 4.27Å; T350-I361 HydrophobicContact CG2-CG1 4.08Å; T350-L373 HydrophobicContact CG2-CD2 3.75Å
351	A	98.1	Very high	96.1	Very high	58 Å²	58	58.6 Å²	58.6	48%	0.479	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-39.7	177.4	0	0	0	0	0	112.6	K347 I349 K355	K347-A351 WeakPolarHBondContact O-CB 3.43Å; K347-A351 PolarHBondContact O-N 3Å; I349-A351 VanDerWaalsContact C-N 3.35Å; I349-A351 PolarHBondContact O-N 3Å; A351-K355 VanDerWaalsContact O-CB 3.28Å; A351-K355 WeakPolarHBondContact O-CB 3.4Å; A351-K355 PolarHBondContact O-N 3.45Å
352	Y	98.4	Very high	96.4	Very high	53 Å²	53	58.8 Å²	58.8	21%	0.208	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-48	176.1	-177.1	-83.3	0	0	0	111	K348 I349 M354 K355 T356 D396 A397 H400 C401	K348-Y352 WeakPolarHBondContact O-CB 3.49Å; K348-Y352 PolarHBondContact O-N 3.33Å; I349-Y352 PolarHBondContact O-N 3.07Å; Y352-M354 PolarHBondContact O-N 2.92Å; Y352-K355 PolarHBondContact O-N 3.44Å; Y352-T356 HydrophobicContact CE1-CG2 4.27Å; Y352-T356 WeakPolarHBondContact O-CB 3.29Å; Y352-T356 PolarHBondContact O-N 3.28Å; Y352-T356 PolarHBondContact O-OG1 2.85Å; Y352-D396 WeakPolarHBondContact CE1-OD2 3.21Å; Y352-D396 PolarHBondContact OH-OD2 3.17Å; Y352-A397 HydrophobicContact CD1-CB 3.81Å; Y352-A397 HydrophobicContact CE1-CB 4.42Å; Y352-H400 HydrophobicContact CD2-CB 4.29Å; Y352-H400 HydrophobicContact CE2-CB 3.58Å; Y352-H400 AromaticContact CZ-CG 3.84Å; Y352-H400 AromaticContact CZ-ND1 3.83Å; Y352-H400 PolarHBondContact OH-ND1 2.99Å; Y352-H400 VanDerWaalsContact OH-ND1 3.12Å; Y352-C401 VanDerWaalsContact CB-SG 3.55Å
353	I	98.4	Very high	96.8	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-45.3	179.2	-69.3	174.6	0	0	0	111	I349 K355 H357 L359 I361 A393 L394 A397	I349-I353 HydrophobicContact CG2-CD1 3.78Å; I349-I353 WeakPolarHBondContact O-CG1 3.29Å; I349-I353 PolarHBondContact O-N 3.33Å; I353-K355 PolarHBondContact O-N 2.97Å; I353-H357 WeakPolarHBondContact O-CA 3.35Å; I353-H357 WeakPolarHBondContact O-CB 3.49Å; I353-H357 PolarHBondContact O-N 3.22Å; I353-L359 CarbonylContact C-O 3.46Å; I353-L359 HydrophobicContact CG2-CB 3.84Å; I353-L359 HydrophobicContact CG2-CD2 3.52Å; I353-L359 HydrophobicContact CG2-CG 4.23Å; I353-L359 WeakPolarHBondContact CG2-O 3.29Å; I353-I361 HydrophobicContact CD1-CD1 3.62Å; I353-I361 HydrophobicContact CD1-CG1 4.08Å; I353-I361 HydrophobicContact CG2-CG1 4.5Å; I353-A393 HydrophobicContact CG1-CB 4.31Å; I353-A393 HydrophobicContact CG2-CB 4.04Å; I353-L394 HydrophobicContact CD1-CD2 3.91Å; I353-L394 HydrophobicContact CD1-CG 4.33Å; I353-A397 HydrophobicContact CD1-CB 3.99Å; I353-A397 HydrophobicContact CG1-CB 3.74Å
354	M	98.3	Very high	97.1	Very high	49 Å²	49	49.5 Å²	49.5	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-45.1	175.9	176.3	58.2	73.3	0	0	112.4	R36 T350 Y352 S358 L359 E360	R36-M354 PolarHBondContact NH1-O 3.42Å; T350-M354 WeakPolarHBondContact O-CB 3.43Å; T350-M354 PolarHBondContact O-N 2.82Å; Y352-M354 PolarHBondContact O-N 2.92Å; M354-S358 WeakPolarHBondContact O-CA 3.42Å; M354-S358 PolarHBondContact O-N 3.17Å; M354-L359 VanDerWaalsContact CA-O 3.25Å; M354-L359 WeakPolarHBondContact CA-O 3.49Å; M354-L359 PolarHBondContact N-O 3.47Å; M354-E360 HydrophobicContact CE-CB 3.63Å; M354-E360 HydrophobicContact CE-CG 3.91Å
355	K	98.1	Very high	97.3	Very high	180 Å²	180	49.4 Å²	49.4	78%	0.783	25%	0.253	S	S	*	.	H	α-helix	trans	-69.3	-45	-176.6	-177	-179.8	175.9	-176.2	0	112.5	A351 Y352 I353	A351-K355 VanDerWaalsContact O-CB 3.28Å; A351-K355 WeakPolarHBondContact O-CB 3.4Å; A351-K355 PolarHBondContact O-N 3.45Å; Y352-K355 PolarHBondContact O-N 3.44Å; I353-K355 PolarHBondContact O-N 2.97Å
356	T	98.3	Very high	97.4	Very high	71 Å²	71	48.7 Å²	48.7	44%	0.436	26%	0.256	S	S	.	.	H	α-helix	trans	-88.5	-34.8	-170.7	-53.5	0	0	0	0	112.2	Y352	Y352-T356 HydrophobicContact CE1-CG2 4.27Å; Y352-T356 WeakPolarHBondContact O-CB 3.29Å; Y352-T356 PolarHBondContact O-N 3.28Å; Y352-T356 PolarHBondContact O-OG1 2.85Å
357	H	98.1	Very high	97.4	Very high	64 Å²	64	47.8 Å²	47.8	30%	0.296	26%	0.258	S	S	.	.	H	α-helix	trans	-114.7	-2.2	-170.9	-60.8	-78.7	0	0	0	113.8	I353 L359 A393 D396	I353-H357 WeakPolarHBondContact O-CA 3.35Å; I353-H357 WeakPolarHBondContact O-CB 3.49Å; I353-H357 PolarHBondContact O-N 3.22Å; H357-L359 HydrophobicContact CB-CB 4.06Å; H357-L359 PolarHBondContact O-N 3.29Å; H357-L359 VanDerWaalsContact O-N 3.14Å; H357-A393 HydrophobicContact CB-CB 4.21Å; H357-D396 IonicContact CE1-OD2 3.39Å; H357-D396 PolarHBondContact CE1-OD2 2.88Å; H357-D396 IonicContact NE2-OD2 2.79Å; H357-D396 PolarHBondContact NE2-OD2 2.99Å
358	S	98.1	Very high	97.4	Very high	42 Å²	42	41.6 Å²	41.6	29%	0.294	23%	0.231	S	C	.	.			trans	52.9	31.5	-173	-65.7	0	0	0	0	113.4	R36 Y37 M354	R36-S358 CarbonylContact C-O 3.53Å; R36-S358 WeakPolarHBondContact CA-O 3.37Å; R36-S358 PolarHBondContact NH1-OG 2.91Å; Y37-S358 PolarHBondContact N-O 3.31Å; M354-S358 WeakPolarHBondContact O-CA 3.42Å; M354-S358 PolarHBondContact O-N 3.17Å
359	L	98.3	Very high	97.3	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.3	-173.6	-171.7	157.9	0	0	0	108.9	Y37 F39 I353 M354 H357 I361 M389 V390 A393	Y37-L359 CarbonylContact O-C 3.53Å; Y37-L359 WeakPolarHBondContact O-CA 3.33Å; F39-L359 HydrophobicContact CB-CD2 4.45Å; F39-L359 HydrophobicContact CD2-CD1 3.58Å; F39-L359 HydrophobicContact CD2-CD2 3.94Å; F39-L359 HydrophobicContact CD2-CG 3.57Å; F39-L359 HydrophobicContact CE2-CD1 3.73Å; F39-L359 HydrophobicContact CE2-CG 4.06Å; I353-L359 CarbonylContact C-O 3.46Å; I353-L359 HydrophobicContact CG2-CB 3.84Å; I353-L359 HydrophobicContact CG2-CD2 3.52Å; I353-L359 HydrophobicContact CG2-CG 4.23Å; I353-L359 WeakPolarHBondContact CG2-O 3.29Å; M354-L359 VanDerWaalsContact CA-O 3.25Å; M354-L359 WeakPolarHBondContact CA-O 3.49Å; M354-L359 PolarHBondContact N-O 3.47Å; H357-L359 HydrophobicContact CB-CB 4.06Å; H357-L359 PolarHBondContact O-N 3.29Å; H357-L359 VanDerWaalsContact O-N 3.14Å; L359-I361 HydrophobicContact CD2-CG2 3.65Å; L359-M389 HydrophobicContact CD1-CB 4.38Å; L359-V390 HydrophobicContact CD1-CG2 4.11Å; L359-V390 HydrophobicContact CD2-CG2 4.4Å; L359-A393 HydrophobicContact CD1-CB 4.3Å
360	E	98.3	Very high	97.2	Very high	49 Å²	49	42.7 Å²	42.7	23%	0.229	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.5	174.1	-167.9	178.4	102.3	0	0	110.5	Y37 M38 F39 G40 M354	Y37-E360 PolarHBondContact O-N 3.44Å; M38-E360 HydrophobicContact CE-CB 4.43Å; M38-E360 VanDerWaalsContact CE-CD 3.48Å; M38-E360 WeakPolarHBondContact CE-OE1 3.33Å; M38-E360 WeakPolarHBondContact CE-OE2 3.4Å; M38-E360 HydrophobicContact SD-CB 4.25Å; F39-E360 CarbonylContact C-O 3.57Å; F39-E360 VanDerWaalsContact CA-O 3.24Å; F39-E360 WeakPolarHBondContact CA-O 3.27Å; F39-E360 WeakPolarHBondContact CB-O 3.41Å; F39-E360 PolarHBondContact N-O 3.14Å; F39-E360 VanDerWaalsContact N-O 3.07Å; G40-E360 PolarHBondContact N-O 3.07Å; M354-E360 HydrophobicContact CE-CB 3.63Å; M354-E360 HydrophobicContact CE-CG 3.91Å
361	I	98.2	Very high	97.1	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.041	27%	0.266	C	S	.	.			trans	-129.8	161.4	155.9	59	157.5	0	0	0	107.6	I349 T350 I353 L359 L373 V375 L394	I349-I361 HydrophobicContact CG2-CD1 4.43Å; T350-I361 HydrophobicContact CG2-CD1 4.27Å; T350-I361 HydrophobicContact CG2-CG1 4.08Å; I353-I361 HydrophobicContact CD1-CD1 3.62Å; I353-I361 HydrophobicContact CD1-CG1 4.08Å; I353-I361 HydrophobicContact CG2-CG1 4.5Å; L359-I361 HydrophobicContact CD2-CG2 3.65Å; I361-L373 HydrophobicContact CD1-CD1 4.41Å; I361-L373 HydrophobicContact CD1-CD2 4.35Å; I361-V375 HydrophobicContact CB-CG2 4.29Å; I361-V375 HydrophobicContact CG2-CG1 4.49Å; I361-V375 HydrophobicContact CG2-CG2 3.74Å; I361-L394 HydrophobicContact CD1-CD2 4.01Å
362	S	98.1	Very high	97.1	Very high	27 Å²	27	42.8 Å²	42.8	19%	0.189	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	159.7	-176.5	-64.9	0	0	0	0	112.6	P41 L373 R374	P41-S362 WeakPolarHBondContact CD-OG 3.43Å; S362-L373 CarbonylContact O-C 3.46Å; S362-L373 WeakPolarHBondContact O-CA 3.22Å; S362-R374 PolarHBondContact N-O 3.44Å; S362-R374 PolarHBondContact O-N 3.45Å
363	G	97.6	Very high	97.1	Very high	6 Å²	6	40.5 Å²	40.5	6%	0.062	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-175.5	158.7	0	0	0	0	0	111.7	V372 R374	G363-V372 CarbonylContact C-O 3.58Å; G363-R374 WeakPolarHBondContact O-CG 3.49Å; G363-R374 PolarHBondContact O-NE 2.68Å
364	G	96.6	Very high	97.1	Very high	12 Å²	12	41.3 Å²	41.3	12%	0.124	24%	0.238	C	C	.	.			trans	-61	168.6	171.6	0	0	0	0	0	114.3	S368 V372	G364-S368 WeakPolarHBondContact CA-O 3.3Å; G364-S368 VanDerWaalsContact CA-OG 3.29Å; G364-S368 WeakPolarHBondContact CA-OG 3.24Å; G364-V372 PolarHBondContact N-O 3.32Å
365	L	96.4	Very high	97.1	Very high	56 Å²	56	39 Å²	39	29%	0.293	23%	0.227	S	C	.	.			trans	-142	139.1	-178.5	178.3	66.3	0	0	0	109	I120 W121 S172 S368	I120-L365 HydrophobicContact CD1-CD1 3.92Å; I120-L365 HydrophobicContact CD1-CD2 4.27Å; I120-L365 HydrophobicContact CD1-CG 3.75Å; I120-L365 HydrophobicContact CG2-CD2 3.93Å; I120-L365 HydrophobicContact CG2-CG 4.12Å; W121-L365 HydrophobicContact CH2-CD2 4.17Å; W121-L365 HydrophobicContact CZ2-CD2 4.32Å; S172-L365 WeakPolarHBondContact CB-O 3.36Å; L365-S368 PolarHBondContact N-OG 2.96Å; L365-S368 PolarHBondContact O-N 2.86Å; L365-S368 PolarHBondContact O-OG 3.48Å; L365-S368 VanDerWaalsContact O-OG 3.08Å
366	G	94.8	Very high	97.1	Very high	28 Å²	28	30.5 Å²	30.5	29%	0.289	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	54	-123.8	-174.7	0	0	0	0	0	111.4	S368 V369	G366-S368 PolarHBondContact O-N 3.3Å; G366-S368 VanDerWaalsContact O-N 3.08Å; G366-V369 VanDerWaalsContact O-CG2 3.27Å; G366-V369 WeakPolarHBondContact O-CG2 3.18Å; G366-V369 PolarHBondContact O-N 3.42Å
367	P	94.1	Very high	97.2	Very high	43 Å²	43	27.2 Å²	27.2	28%	0.279	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-67.6	-10.4	-175	27.7	-34.9	0	0	0	114.5	P143	P143-P367 HydrophobicContact CG-CB 4.01Å
368	S	95.4	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-96.2	0.5	177	74.5	0	0	0	0	114.7	S172 G364 L365 G366 G370 L371 V372	S172-S368 VanDerWaalsContact O-CB 3.29Å; S172-S368 WeakPolarHBondContact O-CB 3.44Å; S172-S368 PolarHBondContact O-OG 2.96Å; G364-S368 WeakPolarHBondContact CA-O 3.3Å; G364-S368 VanDerWaalsContact CA-OG 3.29Å; G364-S368 WeakPolarHBondContact CA-OG 3.24Å; L365-S368 PolarHBondContact N-OG 2.96Å; L365-S368 PolarHBondContact O-N 2.86Å; L365-S368 PolarHBondContact O-OG 3.48Å; L365-S368 VanDerWaalsContact O-OG 3.08Å; G366-S368 PolarHBondContact O-N 3.3Å; G366-S368 VanDerWaalsContact O-N 3.08Å; S368-G370 PolarHBondContact O-N 2.99Å; S368-L371 WeakPolarHBondContact O-CB 3.45Å; S368-L371 PolarHBondContact O-N 3.31Å; S368-V372 PolarHBondContact O-N 2.87Å
369	V	95.6	Very high	97.2	Very high	87 Å²	87	22.4 Å²	22.4	53%	0.527	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	127.6	179.9	170.5	0	0	0	0	110.8	G366 L371	G366-V369 VanDerWaalsContact O-CG2 3.27Å; G366-V369 WeakPolarHBondContact O-CG2 3.18Å; G366-V369 PolarHBondContact O-N 3.42Å; V369-L371 PolarHBondContact O-N 3.14Å
370	G	94.1	Very high	97.2	Very high	35 Å²	35	24.7 Å²	24.7	36%	0.361	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-13.5	-178	0	0	0	0	0	115	S368	S368-G370 PolarHBondContact O-N 2.99Å
371	L	95.3	Very high	97.2	Very high	84 Å²	84	22.8 Å²	22.8	44%	0.44	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-30.4	-179.3	-55	-176.3	0	0	0	112.8	F324 A340 S368 V369	F324-L371 HydrophobicContact CE2-CB 4.36Å; A340-L371 WeakPolarHBondContact CB-O 3.4Å; A340-L371 PolarHBondContact N-O 3.08Å; S368-L371 WeakPolarHBondContact O-CB 3.45Å; S368-L371 PolarHBondContact O-N 3.31Å; V369-L371 PolarHBondContact O-N 3.14Å
372	V	98.2	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.7	-170.7	-55.1	0	0	0	0	114.4	F324 T337 I338 G363 G364 S368 R374	F324-V372 HydrophobicContact CB-CG1 3.72Å; F324-V372 HydrophobicContact CD1-CG1 3.85Å; F324-V372 HydrophobicContact CD2-CG1 3.38Å; F324-V372 HydrophobicContact CE1-CG1 4.28Å; F324-V372 HydrophobicContact CE2-CG1 3.88Å; F324-V372 HydrophobicContact CG-CG1 3.37Å; F324-V372 HydrophobicContact CZ-CG1 4.3Å; T337-V372 HydrophobicContact CG2-CG2 4.24Å; I338-V372 CarbonylContact O-C 3.53Å; I338-V372 WeakPolarHBondContact O-CA 3.47Å; I338-V372 WeakPolarHBondContact O-CB 3.42Å; G363-V372 CarbonylContact C-O 3.58Å; G364-V372 PolarHBondContact N-O 3.32Å; S368-V372 PolarHBondContact O-N 2.87Å; V372-R374 HydrophobicContact CG2-CG 3.9Å
373	L	98.6	Very high	97.3	Very high	4 Å²	4	23 Å²	23	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	151.1	152	-63.1	169.8	0	0	0	108.9	T337 I338 W346 I349 T350 I361 S362 L394	T337-L373 WeakPolarHBondContact CA-O 3.5Å; I338-L373 HydrophobicContact CB-CB 4.32Å; I338-L373 PolarHBondContact N-O 3.35Å; I338-L373 PolarHBondContact O-N 3.08Å; W346-L373 HydrophobicContact CB-CD2 3.9Å; I349-L373 HydrophobicContact CD1-CD1 4.29Å; I349-L373 HydrophobicContact CG2-CD1 4.09Å; T350-L373 HydrophobicContact CG2-CD2 3.75Å; I361-L373 HydrophobicContact CD1-CD1 4.41Å; I361-L373 HydrophobicContact CD1-CD2 4.35Å; S362-L373 CarbonylContact O-C 3.46Å; S362-L373 WeakPolarHBondContact O-CA 3.22Å; L373-L394 HydrophobicContact CD1-CD2 4.32Å
374	R	98.8	Very high	97.3	Very high	19 Å²	19	28 Å²	28	7%	0.072	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.9	-179.1	-52.5	-166.1	-73.2	143.9	3.3	110.2	P41 S171 V335 T336 T337 S362 G363 V372	P41-R374 HydrophobicContact CG-CB 4.44Å; P41-R374 VanDerWaalsContact CG-NH1 3.31Å; S171-R374 WeakPolarHBondContact O-CD 3.44Å; S171-R374 PolarHBondContact O-NH1 3Å; V335-R374 HydrophobicContact CG1-CB 4.47Å; T336-R374 WeakPolarHBondContact O-CA 3.07Å; T337-R374 HydrophobicContact CG2-CG 4.04Å; S362-R374 PolarHBondContact N-O 3.44Å; S362-R374 PolarHBondContact O-N 3.45Å; G363-R374 WeakPolarHBondContact O-CG 3.49Å; G363-R374 PolarHBondContact O-NE 2.68Å; V372-R374 HydrophobicContact CG2-CG 3.9Å
375	V	98.9	Very high	97.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.9	176.8	-178.6	0	0	0	0	108.9	F39 F312 V335 T336 I338 I361 L377 V390	F39-V375 HydrophobicContact CB-CG1 4.37Å; F39-V375 CarbonylContact O-C 3.54Å; F39-V375 VanDerWaalsContact O-CA 3.29Å; F39-V375 WeakPolarHBondContact O-CA 3.48Å; F312-V375 HydrophobicContact CE1-CB 3.77Å; F312-V375 HydrophobicContact CE1-CG1 3.85Å; F312-V375 HydrophobicContact CE1-CG2 4.19Å; F312-V375 HydrophobicContact CZ-CB 3.94Å; F312-V375 HydrophobicContact CZ-CG1 3.88Å; F312-V375 HydrophobicContact CZ-CG2 3.9Å; V335-V375 CarbonylContact C-O 3.57Å; V335-V375 WeakPolarHBondContact CA-O 3.42Å; T336-V375 PolarHBondContact N-O 3.47Å; T336-V375 PolarHBondContact O-N 2.71Å; I338-V375 HydrophobicContact CD1-CG2 4.01Å; I361-V375 HydrophobicContact CB-CG2 4.29Å; I361-V375 HydrophobicContact CG2-CG1 4.49Å; I361-V375 HydrophobicContact CG2-CG2 3.74Å; V375-L377 HydrophobicContact CG1-CG 4.37Å; V375-V390 HydrophobicContact CG1-CG1 3.98Å; V375-V390 HydrophobicContact CG1-CG2 4.27Å; V375-V390 HydrophobicContact CG2-CG1 4.22Å
376	G	98.6	Very high	97.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.5	176.8	0	0	0	0	0	112.2	F39 G40 T334	F39-G376 WeakPolarHBondContact CA-O 3.11Å; F39-G376 PolarHBondContact O-N 3.46Å; G40-G376 VanDerWaalsContact O-CA 3.28Å; G40-G376 WeakPolarHBondContact O-CA 3.36Å; G40-G376 PolarHBondContact O-N 3.18Å; T334-G376 CarbonylContact O-C 3.57Å; T334-G376 WeakPolarHBondContact O-CA 3.46Å
377	L	98.6	Very high	97.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	17%	0.168	C	C	.	.			trans	-119.8	88	176	-65.6	170.2	0	0	0	107.1	H305 V308 F312 T334 V375 S382 N386 V387	H305-L377 PolarHBondContact CD2-O 3.33Å; V308-L377 HydrophobicContact CG1-CB 4.42Å; V308-L377 HydrophobicContact CG1-CD1 3.98Å; F312-L377 HydrophobicContact CB-CD1 4.08Å; F312-L377 HydrophobicContact CD1-CD1 3.91Å; F312-L377 HydrophobicContact CG-CD1 4.04Å; T334-L377 PolarHBondContact O-N 2.83Å; V375-L377 HydrophobicContact CG1-CG 4.37Å; L377-S382 WeakPolarHBondContact O-CB 3.4Å; L377-N386 HydrophobicContact CD2-CB 4.44Å; L377-V387 HydrophobicContact CD1-CG2 3.55Å; L377-V387 HydrophobicContact CD2-CG2 4.4Å
378	M	98.4	Very high	97.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.17	C	C	.	.			trans	-126.2	131.6	-165.3	-65.2	175.4	-71.1	0	0	111.6	G40 K222 V223 N225 T334 V335 C380 N381	G40-M378 WeakPolarHBondContact O-CE 3.27Å; K222-M378 HydrophobicContact CB-SD 3.84Å; K222-M378 HydrophobicContact CD-CE 4.32Å; K222-M378 HydrophobicContact CD-SD 3.84Å; K222-M378 HydrophobicContact CG-SD 4.33Å; V223-M378 HydrophobicContact CG2-CB 4.18Å; V223-M378 HydrophobicContact CG2-CG 4.31Å; N225-M378 PolarHBondContact ND2-O 3.32Å; T334-M378 HydrophobicContact CG2-CG 4.43Å; T334-M378 WeakPolarHBondContact O-CG 3.46Å; V335-M378 HydrophobicContact CG2-SD 4.38Å; M378-C380 PolarHBondContact O-N 2.88Å; M378-N381 WeakPolarHBondContact O-CB 3.45Å; M378-N381 PolarHBondContact O-N 3.01Å
379	G	98.4	Very high	98.1	Very high	4 Å²	4	31 Å²	31	4%	0.041	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	55.5	-127.9	179.8	0	0	0	0	0	111.1	V223 N225 R304 H305 N381 S382	V223-G379 VanDerWaalsContact O-CA 3.25Å; V223-G379 WeakPolarHBondContact O-CA 3.32Å; N225-G379 VanDerWaalsContact OD1-CA 3.26Å; N225-G379 WeakPolarHBondContact OD1-CA 3.42Å; R304-G379 PolarHBondContact NH1-O 3.18Å; H305-G379 PolarHBondContact NE2-N 3.49Å; G379-N381 PolarHBondContact O-N 3Å; G379-N381 VanDerWaalsContact O-N 3.09Å; G379-S382 WeakPolarHBondContact O-CB 3.4Å; G379-S382 PolarHBondContact O-N 3.36Å
380	C	98.3	Very high	98.2	Very high	53 Å²	53	26.9 Å²	26.9	36%	0.358	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-57	-24.4	177.5	70.2	0	0	0	0	113.9	P47 N225 M378 S382	P47-C380 HydrophobicContact CG-CB 3.92Å; N225-C380 PolarHBondContact OD1-N 3.41Å; M378-C380 PolarHBondContact O-N 2.88Å; C380-S382 VanDerWaalsContact C-N 3.25Å; C380-S382 PolarHBondContact O-N 3.46Å
381	N	98.7	Very high	98.5	Very high	9 Å²	9	26.2 Å²	26.2	5%	0.048	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-75.3	-17.5	177.6	-72.6	7.1	0	0	0	112.3	M38 F39 N45 M378 G379 S383 N386	M38-N381 PolarHBondContact O-ND2 2.91Å; F39-N381 HydrophobicContact CD1-CB 4.04Å; F39-N381 HydrophobicContact CE1-CB 3.92Å; N45-N381 WeakPolarHBondContact CB-OD1 3.41Å; N45-N381 PolarHBondContact N-ND2 2.91Å; N45-N381 PolarHBondContact OD1-ND2 3.23Å; M378-N381 WeakPolarHBondContact O-CB 3.45Å; M378-N381 PolarHBondContact O-N 3.01Å; G379-N381 PolarHBondContact O-N 3Å; G379-N381 VanDerWaalsContact O-N 3.09Å; N381-S383 PolarHBondContact O-N 2.97Å; N381-N386 WeakPolarHBondContact CA-ND2 3.25Å; N381-N386 WeakPolarHBondContact O-CB 3.29Å; N381-N386 PolarHBondContact O-ND2 3.26Å
382	S	98.6	Very high	98.6	Very high	2 Å²	2	25 Å²	25	1%	0.014	15%	0.15	C	C	.	.			trans	-79.9	87	175.9	-172.8	0	0	0	0	110.9	R304 V308 L377 G379 C380	R304-S382 PolarHBondContact NH1-O 3.27Å; V308-S382 WeakPolarHBondContact CB-OG 3.17Å; V308-S382 WeakPolarHBondContact CG1-OG 3.42Å; L377-S382 WeakPolarHBondContact O-CB 3.4Å; G379-S382 WeakPolarHBondContact O-CB 3.4Å; G379-S382 PolarHBondContact O-N 3.36Å; C380-S382 VanDerWaalsContact C-N 3.25Å; C380-S382 PolarHBondContact O-N 3.46Å
383	S	98.6	Very high	98.6	Very high	36 Å²	36	25 Å²	25	25%	0.252	15%	0.15	S	C	.	.	S	Bend	trans	-145.9	155	176.6	78.3	0	0	0	0	111.5	N381 A385 N386 V387	N381-S383 PolarHBondContact O-N 2.97Å; S383-A385 VanDerWaalsContact C-N 3.3Å; S383-A385 PolarHBondContact O-N 3.01Å; S383-N386 PolarHBondContact O-N 3.45Å; S383-N386 WeakPolarHBondContact OG-CB 3.44Å; S383-N386 PolarHBondContact OG-N 2.79Å; S383-N386 PolarHBondContact OG-ND2 3.41Å; S383-N386 VanDerWaalsContact OG-ND2 3.1Å; S383-V387 PolarHBondContact O-N 3.21Å; S383-V387 VanDerWaalsContact O-N 3.1Å
384	K	98.6	Very high	98.6	Very high	111 Å²	111	25 Å²	25	48%	0.483	15%	0.149	S	C	.	.	H	α-helix	trans	-58.1	-42.2	175.8	-170.6	-172.4	176.6	-66.6	0	112.3	Y311 N386 V387 D388	Y311-K384 HydrophobicContact CD1-CG 3.85Å; Y311-K384 HydrophobicContact CE1-CD 4.35Å; Y311-K384 HydrophobicContact CE1-CG 3.48Å; Y311-K384 VanDerWaalsContact CE1-CG 3.48Å; Y311-K384 HydrophobicContact CE2-CG 4.47Å; Y311-K384 VanDerWaalsContact CZ-CE 3.44Å; Y311-K384 VanDerWaalsContact OH-CE 3.29Å; Y311-K384 WeakPolarHBondContact OH-CE 3.25Å; Y311-K384 PolarHBondContact OH-NZ 3.35Å; K384-N386 VanDerWaalsContact C-N 3.31Å; K384-N386 PolarHBondContact O-N 3.39Å; K384-V387 WeakPolarHBondContact O-CB 3.34Å; K384-V387 PolarHBondContact O-N 3.44Å; K384-D388 IonicContact NZ-OD1 3.16Å; K384-D388 IonicContact NZ-OD2 3.75Å; K384-D388 PolarHBondContact NZ-OD2 3.14Å; K384-D388 VanDerWaalsContact O-CG 3.31Å; K384-D388 PolarHBondContact O-N 2.93Å
385	A	98.7	Very high	98.6	Very high	60 Å²	60	29.7 Å²	29.7	50%	0.496	17%	0.171	S	C	.	.	H	α-helix	trans	-61.3	-40.3	179.9	0	0	0	0	0	112	S383 D388 M389	S383-A385 VanDerWaalsContact C-N 3.3Å; S383-A385 PolarHBondContact O-N 3.01Å; A385-D388 PolarHBondContact O-N 2.87Å; A385-M389 WeakPolarHBondContact O-CG 3.32Å; A385-M389 PolarHBondContact O-N 3.27Å
386	N	98.8	Very high	98.5	Very high	23 Å²	23	31.4 Å²	31.4	12%	0.123	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-37.6	176.3	-66.5	-21.2	0	0	0	112	F39 L377 N381 S383 K384 M389 V390	F39-N386 HydrophobicContact CE1-CB 3.95Å; F39-N386 HydrophobicContact CE2-CB 4.2Å; F39-N386 HydrophobicContact CZ-CB 3.59Å; F39-N386 VanDerWaalsContact CZ-CG 3.5Å; L377-N386 HydrophobicContact CD2-CB 4.44Å; N381-N386 WeakPolarHBondContact CA-ND2 3.25Å; N381-N386 WeakPolarHBondContact O-CB 3.29Å; N381-N386 PolarHBondContact O-ND2 3.26Å; S383-N386 PolarHBondContact O-N 3.45Å; S383-N386 WeakPolarHBondContact OG-CB 3.44Å; S383-N386 PolarHBondContact OG-N 2.79Å; S383-N386 PolarHBondContact OG-ND2 3.41Å; S383-N386 VanDerWaalsContact OG-ND2 3.1Å; K384-N386 VanDerWaalsContact C-N 3.31Å; K384-N386 PolarHBondContact O-N 3.39Å; N386-M389 HydrophobicContact CB-CE 4.23Å; N386-M389 PolarHBondContact O-N 3.16Å; N386-M389 WeakPolarHBondContact OD1-CE 3.49Å; N386-V390 WeakPolarHBondContact O-CG2 3.43Å; N386-V390 PolarHBondContact O-N 3.2Å
387	V	98.9	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-47.8	171.5	172	0	0	0	0	111.3	V308 Y311 F312 L377 S383 K384 M389 V390 L391	V308-V387 HydrophobicContact CG1-CG2 3.62Å; Y311-V387 HydrophobicContact CD1-CB 3.79Å; Y311-V387 HydrophobicContact CD1-CG1 3.4Å; Y311-V387 VanDerWaalsContact CD1-CG1 3.4Å; Y311-V387 HydrophobicContact CD1-CG2 4.25Å; Y311-V387 HydrophobicContact CE1-CB 3.92Å; Y311-V387 HydrophobicContact CE1-CG1 3.5Å; Y311-V387 VanDerWaalsContact CE1-CG1 3.5Å; F312-V387 HydrophobicContact CB-CG1 3.81Å; F312-V387 HydrophobicContact CB-CG2 3.91Å; F312-V387 HydrophobicContact CD2-CG1 3.74Å; F312-V387 HydrophobicContact CG-CG1 4.18Å; F312-V387 HydrophobicContact CG-CG2 4.46Å; L377-V387 HydrophobicContact CD1-CG2 3.55Å; L377-V387 HydrophobicContact CD2-CG2 4.4Å; S383-V387 PolarHBondContact O-N 3.21Å; S383-V387 VanDerWaalsContact O-N 3.1Å; K384-V387 WeakPolarHBondContact O-CB 3.34Å; K384-V387 PolarHBondContact O-N 3.44Å; V387-M389 VanDerWaalsContact C-N 3.27Å; V387-M389 PolarHBondContact O-N 3.04Å; V387-V390 PolarHBondContact O-N 3.48Å; V387-V390 VanDerWaalsContact O-N 3.13Å; V387-L391 HydrophobicContact CG1-CD1 3.63Å; V387-L391 HydrophobicContact CG1-CG 4.09Å; V387-L391 WeakPolarHBondContact O-CG 3.33Å; V387-L391 PolarHBondContact O-N 3.3Å
388	D	98.8	Very high	98.3	Very high	60 Å²	60	32.6 Å²	32.6	32%	0.321	19%	0.186	S	C	.	.	H	α-helix	trans	-59	-40.1	179.6	-67.4	-29.4	0	0	0	111	Y311 K384 A385 A392	Y311-D388 VanDerWaalsContact CE1-OD1 3.28Å; Y311-D388 WeakPolarHBondContact CE1-OD1 3.43Å; Y311-D388 PolarHBondContact OH-OD1 3.23Å; K384-D388 IonicContact NZ-OD1 3.16Å; K384-D388 IonicContact NZ-OD2 3.75Å; K384-D388 PolarHBondContact NZ-OD2 3.14Å; K384-D388 VanDerWaalsContact O-CG 3.31Å; K384-D388 PolarHBondContact O-N 2.93Å; A385-D388 PolarHBondContact O-N 2.87Å; D388-A392 VanDerWaalsContact O-CB 3.3Å; D388-A392 WeakPolarHBondContact O-CB 3.36Å; D388-A392 PolarHBondContact O-N 2.88Å
389	M	98.6	Very high	98.1	Very high	60 Å²	60	39.5 Å²	39.5	30%	0.296	22%	0.216	S	C	.	.	H	α-helix	trans	-62.5	-46.4	173.6	-71.7	-169.2	-69.2	0	0	112.8	Y37 F39 L359 A385 N386 V387 A392 A393	Y37-M389 HydrophobicContact CD1-CE 4.1Å; Y37-M389 HydrophobicContact CE1-CE 3.97Å; Y37-M389 HydrophobicContact CE1-SD 4.23Å; Y37-M389 HydrophobicContact CE2-SD 4.35Å; F39-M389 HydrophobicContact CE2-CE 4.12Å; F39-M389 HydrophobicContact CZ-CE 3.95Å; L359-M389 HydrophobicContact CD1-CB 4.38Å; A385-M389 WeakPolarHBondContact O-CG 3.32Å; A385-M389 PolarHBondContact O-N 3.27Å; N386-M389 HydrophobicContact CB-CE 4.23Å; N386-M389 PolarHBondContact O-N 3.16Å; N386-M389 WeakPolarHBondContact OD1-CE 3.49Å; V387-M389 VanDerWaalsContact C-N 3.27Å; V387-M389 PolarHBondContact O-N 3.04Å; M389-A392 PolarHBondContact O-N 3Å; M389-A393 WeakPolarHBondContact O-CB 3.43Å; M389-A393 PolarHBondContact O-N 3.29Å
390	V	98.7	Very high	98	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-45.6	179.3	175.3	0	0	0	0	111	F39 F312 L359 V375 N386 V387 A392 A393 L394	F39-V390 HydrophobicContact CB-CG2 4.13Å; F39-V390 HydrophobicContact CD2-CG2 3.32Å; F39-V390 HydrophobicContact CE2-CG2 3.96Å; F39-V390 HydrophobicContact CG-CG2 3.99Å; F312-V390 HydrophobicContact CE2-CB 4.37Å; F312-V390 HydrophobicContact CE2-CG1 3.8Å; F312-V390 HydrophobicContact CZ-CG1 3.87Å; L359-V390 HydrophobicContact CD1-CG2 4.11Å; L359-V390 HydrophobicContact CD2-CG2 4.4Å; V375-V390 HydrophobicContact CG1-CG1 3.98Å; V375-V390 HydrophobicContact CG1-CG2 4.27Å; V375-V390 HydrophobicContact CG2-CG1 4.22Å; N386-V390 WeakPolarHBondContact O-CG2 3.43Å; N386-V390 PolarHBondContact O-N 3.2Å; V387-V390 PolarHBondContact O-N 3.48Å; V387-V390 VanDerWaalsContact O-N 3.13Å; V390-A392 VanDerWaalsContact C-N 3.34Å; V390-A392 PolarHBondContact O-N 2.82Å; V390-A393 PolarHBondContact O-N 2.95Å; V390-L394 HydrophobicContact CG1-CD1 3.85Å; V390-L394 HydrophobicContact CG1-CG 4.33Å; V390-L394 WeakPolarHBondContact O-CB 3.35Å; V390-L394 WeakPolarHBondContact O-CG 3.37Å; V390-L394 PolarHBondContact O-N 3.01Å
391	L	98.8	Very high	97.7	Very high	21 Å²	21	43 Å²	43	11%	0.11	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-42.2	178.9	-69.4	172.2	0	0	0	111.4	F312 L316 M319 V387 L394 K395	F312-L391 HydrophobicContact CD2-CD2 3.8Å; F312-L391 HydrophobicContact CD2-CG 4.03Å; F312-L391 HydrophobicContact CE2-CD2 3.7Å; F312-L391 HydrophobicContact CE2-CG 4.11Å; L316-L391 HydrophobicContact CD2-CD2 4.04Å; L316-L391 HydrophobicContact CG-CD2 4.15Å; M319-L391 HydrophobicContact SD-CB 4.37Å; M319-L391 HydrophobicContact SD-CD2 3.88Å; V387-L391 HydrophobicContact CG1-CD1 3.63Å; V387-L391 HydrophobicContact CG1-CG 4.09Å; V387-L391 WeakPolarHBondContact O-CG 3.33Å; V387-L391 PolarHBondContact O-N 3.3Å; L391-L394 PolarHBondContact O-N 3.36Å; L391-K395 WeakPolarHBondContact O-CB 3.49Å; L391-K395 PolarHBondContact O-N 3.24Å
392	A	98.8	Very high	96.9	Very high	58 Å²	58	46.6 Å²	46.6	48%	0.479	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-46.7	175.1	0	0	0	0	0	111.8	D388 M389 V390 K395 D396	D388-A392 VanDerWaalsContact O-CB 3.3Å; D388-A392 WeakPolarHBondContact O-CB 3.36Å; D388-A392 PolarHBondContact O-N 2.88Å; M389-A392 PolarHBondContact O-N 3Å; V390-A392 VanDerWaalsContact C-N 3.34Å; V390-A392 PolarHBondContact O-N 2.82Å; A392-K395 PolarHBondContact O-N 2.81Å; A392-D396 WeakPolarHBondContact O-CB 3.36Å; A392-D396 PolarHBondContact O-N 3.48Å
393	A	98.6	Very high	95.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-39.9	178.9	0	0	0	0	0	112.5	I353 H357 L359 M389 V390 D396 A397	I353-A393 HydrophobicContact CG1-CB 4.31Å; I353-A393 HydrophobicContact CG2-CB 4.04Å; H357-A393 HydrophobicContact CB-CB 4.21Å; L359-A393 HydrophobicContact CD1-CB 4.3Å; M389-A393 WeakPolarHBondContact O-CB 3.43Å; M389-A393 PolarHBondContact O-N 3.29Å; V390-A393 PolarHBondContact O-N 2.95Å; A393-D396 PolarHBondContact O-N 2.94Å; A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 2.98Å
394	L	98.4	Very high	93.4	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-47.2	173.3	-78.7	169.4	0	0	0	111.2	F312 L316 M319 I338 I349 I353 I361 L373 V390 L391 D396 A397 L398	F312-L394 HydrophobicContact CE2-CD1 4.48Å; F312-L394 HydrophobicContact CZ-CD1 4.47Å; L316-L394 HydrophobicContact CD2-CD1 3.75Å; M319-L394 HydrophobicContact CE-CB 3.96Å; I338-L394 HydrophobicContact CD1-CD1 4.12Å; I349-L394 HydrophobicContact CG2-CD2 4.45Å; I353-L394 HydrophobicContact CD1-CD2 3.91Å; I353-L394 HydrophobicContact CD1-CG 4.33Å; I361-L394 HydrophobicContact CD1-CD2 4.01Å; L373-L394 HydrophobicContact CD1-CD2 4.32Å; V390-L394 HydrophobicContact CG1-CD1 3.85Å; V390-L394 HydrophobicContact CG1-CG 4.33Å; V390-L394 WeakPolarHBondContact O-CB 3.35Å; V390-L394 WeakPolarHBondContact O-CG 3.37Å; V390-L394 PolarHBondContact O-N 3.01Å; L391-L394 PolarHBondContact O-N 3.36Å; L394-D396 VanDerWaalsContact C-N 3.27Å; L394-D396 PolarHBondContact O-N 3.22Å; L394-A397 PolarHBondContact O-N 3.38Å; L394-L398 WeakPolarHBondContact O-CB 3.17Å; L394-L398 VanDerWaalsContact O-CG 3.25Å; L394-L398 WeakPolarHBondContact O-CG 3.4Å; L394-L398 PolarHBondContact O-N 3.36Å
395	K	97.6	Very high	90.8	Very high	119 Å²	119	60.3 Å²	60.3	52%	0.517	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-41.4	179	-174.6	175.1	-175.7	173.5	0	111.4	M319 L391 A392 K399	M319-K395 HydrophobicContact CE-CB 3.72Å; M319-K395 HydrophobicContact CE-CG 4.49Å; M319-K395 HydrophobicContact SD-CB 4.48Å; L391-K395 WeakPolarHBondContact O-CB 3.49Å; L391-K395 PolarHBondContact O-N 3.24Å; A392-K395 PolarHBondContact O-N 2.81Å; K395-K399 WeakPolarHBondContact O-CG 3.16Å; K395-K399 PolarHBondContact O-N 3.38Å
396	D	98.1	Very high	88	Confident	37 Å²	37	67.9 Å²	67.9	20%	0.198	35%	0.346	C	S	.	.	H	α-helix	trans	-67.2	-45.1	176.9	-172.5	37.2	0	0	0	112.3	Y352 H357 A392 A393 L394 L398 K399 H400	Y352-D396 WeakPolarHBondContact CE1-OD2 3.21Å; Y352-D396 PolarHBondContact OH-OD2 3.17Å; H357-D396 IonicContact CE1-OD2 3.39Å; H357-D396 PolarHBondContact CE1-OD2 2.88Å; H357-D396 IonicContact NE2-OD2 2.79Å; H357-D396 PolarHBondContact NE2-OD2 2.99Å; A392-D396 WeakPolarHBondContact O-CB 3.36Å; A392-D396 PolarHBondContact O-N 3.48Å; A393-D396 PolarHBondContact O-N 2.94Å; L394-D396 VanDerWaalsContact C-N 3.27Å; L394-D396 PolarHBondContact O-N 3.22Å; D396-L398 VanDerWaalsContact C-N 3.34Å; D396-L398 PolarHBondContact O-N 3.27Å; D396-K399 WeakPolarHBondContact O-CB 3.18Å; D396-K399 PolarHBondContact O-N 3.21Å; D396-H400 PolarHBondContact O-N 3.12Å; D396-H400 PolarHBondContact O-ND1 2.82Å; D396-H400 IonicContact OD1-CE1 3.01Å; D396-H400 PolarHBondContact OD1-CE1 3.12Å; D396-H400 IonicContact OD1-ND1 3Å; D396-H400 PolarHBondContact OD1-ND1 3.08Å
397	A	97.3	Very high	87.4	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-41.3	175.8	0	0	0	0	0	112.3	I349 Y352 I353 A393 L394 K399 H400 C401	I349-A397 HydrophobicContact CG2-CB 4.04Å; Y352-A397 HydrophobicContact CD1-CB 3.81Å; Y352-A397 HydrophobicContact CE1-CB 4.42Å; I353-A397 HydrophobicContact CD1-CB 3.99Å; I353-A397 HydrophobicContact CG1-CB 3.74Å; A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 2.98Å; L394-A397 PolarHBondContact O-N 3.38Å; A397-K399 VanDerWaalsContact C-N 3.25Å; A397-K399 PolarHBondContact O-N 3.23Å; A397-H400 PolarHBondContact O-N 3.45Å; A397-H400 VanDerWaalsContact O-N 3.17Å; A397-C401 WeakPolarHBondContact O-CB 3.28Å; A397-C401 PolarHBondContact O-N 2.96Å
398	L	95	Very high	86.8	Confident	27 Å²	27	73.8 Å²	73.8	14%	0.141	38%	0.376	C	S	.	.	H	α-helix	trans	-63.4	-29.8	177.8	-69.6	171.7	0	0	0	112.7	M319 L321 P341 Y344 I349 L394 D396	M319-L398 HydrophobicContact CE-CD1 3.9Å; L321-L398 HydrophobicContact CD1-CD1 4.23Å; L321-L398 HydrophobicContact CD2-CD1 4.07Å; L321-L398 HydrophobicContact CG-CD1 4.35Å; P341-L398 HydrophobicContact CB-CD2 4.28Å; P341-L398 HydrophobicContact CG-CD2 3.82Å; Y344-L398 HydrophobicContact CD1-CD2 4.13Å; Y344-L398 HydrophobicContact CD2-CD2 4.21Å; Y344-L398 HydrophobicContact CE1-CB 4.29Å; Y344-L398 HydrophobicContact CE1-CD2 3.74Å; Y344-L398 WeakPolarHBondContact CE1-O 3.44Å; Y344-L398 HydrophobicContact CE2-CD2 3.83Å; Y344-L398 HydrophobicContact CG-CD2 4.35Å; Y344-L398 PolarHBondContact OH-O 2.9Å; I349-L398 HydrophobicContact CD1-CD2 4.31Å; L394-L398 WeakPolarHBondContact O-CB 3.17Å; L394-L398 VanDerWaalsContact O-CG 3.25Å; L394-L398 WeakPolarHBondContact O-CG 3.4Å; L394-L398 PolarHBondContact O-N 3.36Å; D396-L398 VanDerWaalsContact C-N 3.34Å; D396-L398 PolarHBondContact O-N 3.27Å
399	K	94.7	Very high	86.2	Confident	145 Å²	145	74.6 Å²	74.6	63%	0.63	38%	0.379	S	S	*	.	H	α-helix	trans	-72.1	-37.5	173.9	-70.2	173.3	178.9	-176.2	0	112.6	K395 D396 A397	K395-K399 WeakPolarHBondContact O-CG 3.16Å; K395-K399 PolarHBondContact O-N 3.38Å; D396-K399 WeakPolarHBondContact O-CB 3.18Å; D396-K399 PolarHBondContact O-N 3.21Å; A397-K399 VanDerWaalsContact C-N 3.25Å; A397-K399 PolarHBondContact O-N 3.23Å
400	H	95.1	Very high	85.4	Confident	116 Å²	116	75.5 Å²	75.5	54%	0.537	38%	0.383	S	S	.	.	H	α-helix	trans	-100.5	-18.1	-169.4	-66.1	98.2	0	0	0	114.7	Y352 D396 A397	Y352-H400 HydrophobicContact CD2-CB 4.29Å; Y352-H400 HydrophobicContact CE2-CB 3.58Å; Y352-H400 AromaticContact CZ-CG 3.84Å; Y352-H400 AromaticContact CZ-ND1 3.83Å; Y352-H400 PolarHBondContact OH-ND1 2.99Å; Y352-H400 VanDerWaalsContact OH-ND1 3.12Å; D396-H400 PolarHBondContact O-N 3.12Å; D396-H400 PolarHBondContact O-ND1 2.82Å; D396-H400 IonicContact OD1-CE1 3.01Å; D396-H400 PolarHBondContact OD1-CE1 3.12Å; D396-H400 IonicContact OD1-ND1 3Å; D396-H400 PolarHBondContact OD1-ND1 3.08Å; A397-H400 PolarHBondContact O-N 3.45Å; A397-H400 VanDerWaalsContact O-N 3.17Å
401	C	92.7	Very high	84.6	Confident	14 Å²	14	80.1 Å²	80.1	10%	0.095	41%	0.407	C	S	.	.	S	Bend	trans	-104.5	1.8	-176.3	-67.2	0	0	0	0	114.1	Y344 K348 I349 Y352 A397 R403	Y344-C401 HydrophobicContact CD1-CB 4.21Å; K348-C401 HydrophobicContact CB-CB 4.44Å; I349-C401 HydrophobicContact CG1-CB 4.23Å; Y352-C401 VanDerWaalsContact CB-SG 3.55Å; A397-C401 WeakPolarHBondContact O-CB 3.28Å; A397-C401 PolarHBondContact O-N 2.96Å; C401-R403 PolarHBondContact O-N 3.26Å
402	H	82.2	Confident	83.7	Confident	86 Å²	86	84.1 Å²	84.1	40%	0.398	43%	0.427	S	S	.	.			trans	-64.3	128.2	179.9	-169.5	-111.2	0	0	0	110.5	Y344 S404	Y344-H402 HydrophobicContact CD1-CB 4.49Å; Y344-H402 HydrophobicContact CE1-CB 3.67Å; Y344-H402 AromaticContact CE1-CD2 3.97Å; Y344-H402 AromaticContact CE2-CD2 3.52Å; Y344-H402 AromaticContact CZ-CD2 3.4Å; Y344-H402 AromaticContact CZ-CG 3.98Å; Y344-H402 PolarHBondContact OH-CD2 3.13Å; H402-S404 PolarHBondContact CE1-OG 3.36Å; H402-S404 PolarHBondContact ND1-N 2.97Å; H402-S404 PolarHBondContact ND1-OG 3.22Å; H402-S404 PolarHBondContact O-N 3.41Å
403	R	69.6	Low	82.6	Confident	143 Å²	143	85.9 Å²	85.9	54%	0.54	42%	0.423	S	S	.	.			trans	-87.9	78.9	169.6	-65.2	-171.7	-174.8	-162.5	3.5	108.8	G343 D345 C401	G343-R403 PolarHBondContact O-N 3.08Å; D345-R403 IonicContact OD2-CZ 3.87Å; D345-R403 IonicContact OD2-NH2 2.82Å; D345-R403 PolarHBondContact OD2-NH2 3.16Å; C401-R403 PolarHBondContact O-N 3.26Å
404	S	53.3	Low	81.3	Confident	92 Å²	92	92.5 Å²	92.5	64%	0.643	46%	0.455	S	S	*	.			trans	-91.6	93.4	157.9	-90.2	0	0	0	0	108.9	H402	H402-S404 PolarHBondContact CE1-OG 3.36Å; H402-S404 PolarHBondContact ND1-N 2.97Å; H402-S404 PolarHBondContact ND1-OG 3.22Å; H402-S404 PolarHBondContact O-N 3.41Å
405	K	44.6	Very low	79.9	Confident	202 Å²	202	100 Å²	100	88%	0.878	49%	0.492	S	S	*	.			trans	169.1	83.8	144.9	-93.2	175.6	-174.4	-171.5	0	109.1
406	V	38.8	Very low	78.3	Confident	219 Å²	219	98.3 Å²	98.3	100%	1.327	49%	0.49	S	S	*	.				-127	0	125.8	179.7	0	0	0	0	105.7

Retrieved 406 of 406 residues in 78.2 ms (Link to these results)

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