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Uridylate-specific endoribonuclease

Endoribonuclease that cleaves single-stranded RNAs at uridylates and releases products that have 2'-3'-cyclic phosphate termini.

AlphaFold DB , UniProt , Accession A0A5K4F6U3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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	32.1	Very low	42.6	Very low	231 Å²	231	133.4 Å²	133.4	100%	1.138	70%	0.699	S	S	*	*				0	77.7	0	-159	167	85.7	0	0	108.2
2	K	29.6	Very low	43.3	Very low	207 Å²	207	134.3 Å²	134.3	90%	0.9	69%	0.694	S	S	*	*			trans	-93.3	104.2	179.5	-83.2	-174.9	176.2	-179.3	0	107.3	C4	K2-C4 PolarHBondContact O-N 3.1Å; K2-C4 VanDerWaalsContact O-N 3.1Å
3	L	36.5	Very low	44	Very low	160 Å²	160	129.1 Å²	129.1	84%	0.838	68%	0.676	S	S	*	*			trans	-55.3	112.9	168.3	-73.9	156.2	0	0	0	106.9	N5	L3-N5 PolarHBondContact O-N 2.69Å
4	C	39.8	Very low	44.7	Very low	120 Å²	120	126.3 Å²	126.3	81%	0.811	66%	0.66	S	S	*	*			trans	-65.4	124	179.9	-160.3	0	0	0	0	107.8	K2 I6	K2-C4 PolarHBondContact O-N 3.1Å; K2-C4 VanDerWaalsContact O-N 3.1Å; C4-I6 PolarHBondContact O-N 2.98Å
5	N	40.4	Very low	45.1	Very low	157 Å²	157	126.3 Å²	126.3	84%	0.84	65%	0.653	S	S	*	*			trans	-52.9	104.3	177.6	-73.1	-29.2	0	0	0	110.1	L3 S7	L3-N5 PolarHBondContact O-N 2.69Å; N5-S7 PolarHBondContact O-N 3.34Å
6	I	42.2	Very low	45.5	Very low	119 Å²	119	123.6 Å²	123.6	61%	0.61	64%	0.644	S	S	*	*			trans	-67.1	117.2	161.9	-61.4	174.4	0	0	0	105.5	C4 D10 I11	C4-I6 PolarHBondContact O-N 2.98Å; I6-D10 HydrophobicContact CG2-CB 3.8Å; I6-I11 HydrophobicContact CG2-CG1 4.4Å
7	S	42.7	Very low	45.8	Very low	57 Å²	57	125.2 Å²	125.2	40%	0.399	64%	0.641	S	S	.	*			trans	-56.7	138.2	179.5	171.2	0	0	0	0	109.6	N5 I9 D10	N5-S7 PolarHBondContact O-N 3.34Å; S7-I9 PolarHBondContact O-N 3.22Å; S7-I9 PolarHBondContact OG-N 2.88Å; S7-D10 WeakPolarHBondContact O-CB 3.46Å; S7-D10 PolarHBondContact O-N 3.42Å
8	I	51.3	Low	46	Very low	122 Å²	122	125.4 Å²	125.4	63%	0.626	64%	0.637	S	S	*	*	H	α-helix	trans	-53.8	-24.5	177.3	-69.6	169.7	0	0	0	111.7	D10 I11 F12	I8-D10 VanDerWaalsContact C-N 3.34Å; I8-I11 PolarHBondContact O-N 3.23Å; I8-F12 HydrophobicContact CG2-CD2 4.06Å; I8-F12 HydrophobicContact CG2-CE2 4.08Å; I8-F12 WeakPolarHBondContact O-CD2 3.14Å; I8-F12 PolarHBondContact O-N 3.25Å
9	I	51.1	Low	45.8	Very low	133 Å²	133	123.1 Å²	123.1	68%	0.682	63%	0.626	S	S	*	*	H	α-helix	trans	-67.3	-34.6	177	-58.7	173.5	0	0	0	111.5	S7 F12 S13	S7-I9 PolarHBondContact O-N 3.22Å; S7-I9 PolarHBondContact OG-N 2.88Å; I9-F12 PolarHBondContact O-N 3.13Å; I9-S13 PolarHBondContact O-N 2.98Å
10	D	50.2	Low	45.9	Very low	88 Å²	88	122.4 Å²	122.4	47%	0.471	62%	0.623	S	S	.	*	H	α-helix	trans	-72.5	-32.5	177.4	-61.8	-36.5	0	0	0	111.3	I6 S7 I8 S13 I14	I6-D10 HydrophobicContact CG2-CB 3.8Å; S7-D10 WeakPolarHBondContact O-CB 3.46Å; S7-D10 PolarHBondContact O-N 3.42Å; I8-D10 VanDerWaalsContact C-N 3.34Å; D10-S13 PolarHBondContact O-N 3.49Å; D10-I14 WeakPolarHBondContact O-CG1 3.36Å; D10-I14 PolarHBondContact O-N 3.4Å; D10-I14 VanDerWaalsContact O-N 3.13Å
11	I	53.3	Low	45.8	Very low	73 Å²	73	122.6 Å²	122.6	37%	0.374	63%	0.625	S	S	.	*	H	α-helix	trans	-65.5	-43.1	176.3	-64	175.9	0	0	0	110.5	I6 I8 S13 I14 F15	I6-I11 HydrophobicContact CG2-CG1 4.4Å; I8-I11 PolarHBondContact O-N 3.23Å; I11-S13 VanDerWaalsContact C-N 3.31Å; I11-S13 PolarHBondContact O-N 3.34Å; I11-I14 PolarHBondContact O-N 3.4Å; I11-F15 HydrophobicContact CG2-CD2 3.57Å; I11-F15 HydrophobicContact CG2-CE2 3.67Å; I11-F15 WeakPolarHBondContact O-CD2 3.49Å; I11-F15 PolarHBondContact O-N 3.4Å
12	F	51	Low	46.2	Very low	145 Å²	145	118.6 Å²	118.6	64%	0.636	60%	0.603	S	S	*	*	H	α-helix	trans	-63.6	-36.8	178.2	-92.8	-82	0	0	0	112.6	I8 I9 F15 V16	I8-F12 HydrophobicContact CG2-CD2 4.06Å; I8-F12 HydrophobicContact CG2-CE2 4.08Å; I8-F12 WeakPolarHBondContact O-CD2 3.14Å; I8-F12 PolarHBondContact O-N 3.25Å; I9-F12 PolarHBondContact O-N 3.13Å; F12-F15 PolarHBondContact O-N 3.23Å; F12-V16 WeakPolarHBondContact O-CG2 3.33Å; F12-V16 PolarHBondContact O-N 3.49Å; F12-V16 VanDerWaalsContact O-N 3.12Å
13	S	52.5	Low	46.9	Very low	66 Å²	66	117 Å²	117	46%	0.462	60%	0.597	S	S	.	*	H	α-helix	trans	-65.6	-44.6	175.6	-142.1	0	0	0	0	111.1	I9 D10 I11 F15 V16 Y17	I9-S13 PolarHBondContact O-N 2.98Å; D10-S13 PolarHBondContact O-N 3.49Å; I11-S13 VanDerWaalsContact C-N 3.31Å; I11-S13 PolarHBondContact O-N 3.34Å; S13-F15 PolarHBondContact O-N 3.12Å; S13-V16 PolarHBondContact O-N 3.4Å; S13-Y17 WeakPolarHBondContact O-CD2 3.5Å; S13-Y17 PolarHBondContact O-N 2.92Å; S13-Y17 VanDerWaalsContact O-N 3.09Å
14	I	53.8	Low	47.1	Very low	90 Å²	90	112.5 Å²	112.5	46%	0.462	58%	0.583	S	S	.	*	H	α-helix	trans	-62.3	-39.9	177	-66.7	166.5	0	0	0	111.7	D10 I11 V16 Y17 F18	D10-I14 WeakPolarHBondContact O-CG1 3.36Å; D10-I14 PolarHBondContact O-N 3.4Å; D10-I14 VanDerWaalsContact O-N 3.13Å; I11-I14 PolarHBondContact O-N 3.4Å; I14-V16 PolarHBondContact O-N 3.44Å; I14-Y17 PolarHBondContact O-N 3.09Å; I14-F18 HydrophobicContact CG2-CD2 3.72Å; I14-F18 HydrophobicContact CG2-CE2 4.02Å; I14-F18 PolarHBondContact O-N 2.87Å
15	F	50.3	Low	47.3	Very low	126 Å²	126	110.7 Å²	110.7	55%	0.553	57%	0.571	S	S	*	*	H	α-helix	trans	-67.7	-33.4	177.6	-93.1	-83.8	0	0	0	113.1	I11 F12 S13 N19	I11-F15 HydrophobicContact CG2-CD2 3.57Å; I11-F15 HydrophobicContact CG2-CE2 3.67Å; I11-F15 WeakPolarHBondContact O-CD2 3.49Å; I11-F15 PolarHBondContact O-N 3.4Å; F12-F15 PolarHBondContact O-N 3.23Å; S13-F15 PolarHBondContact O-N 3.12Å; F15-N19 WeakPolarHBondContact O-CB 3.37Å; F15-N19 PolarHBondContact O-N 3.41Å; F15-N19 PolarHBondContact O-ND2 2.91Å
16	V	52	Low	47.4	Very low	84 Å²	84	108 Å²	108	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-68.6	-39.6	173.5	176.1	0	0	0	0	110.3	F12 S13 I14 N19 I20	F12-V16 WeakPolarHBondContact O-CG2 3.33Å; F12-V16 PolarHBondContact O-N 3.49Å; F12-V16 VanDerWaalsContact O-N 3.12Å; S13-V16 PolarHBondContact O-N 3.4Å; I14-V16 PolarHBondContact O-N 3.44Å; V16-N19 PolarHBondContact O-N 2.74Å; V16-I20 HydrophobicContact CG1-CD1 3.74Å; V16-I20 HydrophobicContact CG1-CG1 4.47Å; V16-I20 WeakPolarHBondContact O-CB 3.47Å; V16-I20 WeakPolarHBondContact O-CD1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.47Å; V16-I20 PolarHBondContact O-N 2.91Å
17	Y	49.4	Very low	47.5	Very low	151 Å²	151	112.9 Å²	112.9	59%	0.592	58%	0.576	S	S	*	*	H	α-helix	trans	-67.9	-38.1	174.5	-77.1	-73.4	0	0	0	113.2	S13 I14 I20 L21	S13-Y17 WeakPolarHBondContact O-CD2 3.5Å; S13-Y17 PolarHBondContact O-N 2.92Å; S13-Y17 VanDerWaalsContact O-N 3.09Å; I14-Y17 PolarHBondContact O-N 3.09Å; Y17-I20 PolarHBondContact O-N 2.86Å; Y17-L21 WeakPolarHBondContact O-CB 3.44Å; Y17-L21 WeakPolarHBondContact O-CD1 3.41Å; Y17-L21 PolarHBondContact O-N 3.39Å
18	F	49.9	Very low	47.9	Very low	129 Å²	129	120 Å²	120	57%	0.566	60%	0.595	S	S	*	*	H	α-helix	trans	-70	-34.8	175.6	-96.3	-87	0	0	0	112.9	I14 L21 Q22	I14-F18 HydrophobicContact CG2-CD2 3.72Å; I14-F18 HydrophobicContact CG2-CE2 4.02Å; I14-F18 PolarHBondContact O-N 2.87Å; F18-L21 PolarHBondContact O-N 3.28Å; F18-Q22 WeakPolarHBondContact O-CB 3.2Å; F18-Q22 PolarHBondContact O-N 2.95Å
19	N	41.9	Very low	48.6	Very low	80 Å²	80	118.9 Å²	118.9	43%	0.428	60%	0.599	S	S	.	*	H	α-helix	trans	-72.3	-32.3	173.3	-80.1	-78.4	0	0	0	112.1	F15 V16 F23	F15-N19 WeakPolarHBondContact O-CB 3.37Å; F15-N19 PolarHBondContact O-N 3.41Å; F15-N19 PolarHBondContact O-ND2 2.91Å; V16-N19 PolarHBondContact O-N 2.74Å; N19-F23 WeakPolarHBondContact O-CD2 2.86Å; N19-F23 PolarHBondContact O-N 2.98Å
20	I	48.5	Very low	49.9	Very low	109 Å²	109	114.2 Å²	114.2	56%	0.559	58%	0.576	S	S	*	*	H	α-helix	trans	-73.4	-34.3	173.3	-64.6	167.5	0	0	0	111.1	V16 Y17 A24	V16-I20 HydrophobicContact CG1-CD1 3.74Å; V16-I20 HydrophobicContact CG1-CG1 4.47Å; V16-I20 WeakPolarHBondContact O-CB 3.47Å; V16-I20 WeakPolarHBondContact O-CD1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.47Å; V16-I20 PolarHBondContact O-N 2.91Å; Y17-I20 PolarHBondContact O-N 2.86Å; I20-A24 PolarHBondContact O-N 2.63Å
21	L	43	Very low	51.7	Low	127 Å²	127	118.3 Å²	118.3	67%	0.665	59%	0.59	S	S	*	*	H	α-helix	trans	-76	-28.5	177.1	-103.5	90.6	0	0	0	114.4	Y17 F18	Y17-L21 WeakPolarHBondContact O-CB 3.44Å; Y17-L21 WeakPolarHBondContact O-CD1 3.41Å; Y17-L21 PolarHBondContact O-N 3.39Å; F18-L21 PolarHBondContact O-N 3.28Å
22	Q	41.3	Very low	53.7	Low	148 Å²	148	118.6 Å²	118.6	69%	0.692	59%	0.59	S	S	*	*	H	α-helix	trans	-86.7	-18.5	178.5	-84.7	-173	-37	0	0	114.5	F18	F18-Q22 WeakPolarHBondContact O-CB 3.2Å; F18-Q22 PolarHBondContact O-N 2.95Å
23	F	44.2	Very low	55.9	Low	173 Å²	173	113.5 Å²	113.5	76%	0.759	57%	0.569	S	S	*	*	H	α-helix	trans	-91.5	-8.8	171	-78.1	-74.6	0	0	0	114.1	N19 S25	N19-F23 WeakPolarHBondContact O-CD2 2.86Å; N19-F23 PolarHBondContact O-N 2.98Å; F23-S25 PolarHBondContact O-N 3.35Å
24	A	40.9	Very low	58.1	Low	66 Å²	66	118 Å²	118	55%	0.545	58%	0.58	S	S	.	*			trans	-74.6	57.6	150.6	0	0	0	0	0	109	I20 C26	I20-A24 PolarHBondContact O-N 2.63Å; A24-C26 PolarHBondContact O-N 2.66Å
25	S	43.9	Very low	60.2	Low	82 Å²	82	118.1 Å²	118.1	57%	0.573	58%	0.579	S	S	*	*			trans	-54	109.9	144.6	71.8	0	0	0	0	102.8	F23 Y27	F23-S25 PolarHBondContact O-N 3.35Å; S25-Y27 PolarHBondContact O-N 3.25Å
26	C	42.2	Very low	62.5	Low	100 Å²	100	112.1 Å²	112.1	68%	0.676	55%	0.553	S	S	*	*			trans	-49.3	104.8	166.3	-79.3	0	0	0	0	103.9	A24 Y28	A24-C26 PolarHBondContact O-N 2.66Å; C26-Y28 HydrophobicContact CB-CD2 4Å; C26-Y28 PolarHBondContact O-N 3.48Å
27	Y	44.2	Very low	64.7	Low	222 Å²	222	108.5 Å²	108.5	87%	0.871	53%	0.531	S	S	*	.			trans	-54.7	85.5	143.5	-92	-92.2	0	0	0	102.6	S25 S29	S25-Y27 PolarHBondContact O-N 3.25Å; Y27-S29 PolarHBondContact O-N 2.82Å
28	Y	51.5	Low	67	Low	205 Å²	205	107.8 Å²	107.8	80%	0.804	53%	0.531	S	S	*	.			trans	-57.7	96.2	160.3	-119.7	-90.3	0	0	0	101.5	C26 V30	C26-Y28 HydrophobicContact CB-CD2 4Å; C26-Y28 PolarHBondContact O-N 3.48Å; Y28-V30 VanDerWaalsContact C-N 3.25Å; Y28-V30 PolarHBondContact O-N 3.37Å
29	S	65.2	Low	69.4	Low	99 Å²	99	102.5 Å²	102.5	69%	0.692	51%	0.508	S	S	*	.			trans	-60.8	106.5	170.9	65.4	0	0	0	0	103	Y27 K31	Y27-S29 PolarHBondContact O-N 2.82Å; S29-K31 PolarHBondContact O-N 2.87Å
30	V	78.9	Confident	72.1	Confident	36 Å²	36	98.7 Å²	98.7	22%	0.218	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-50.9	117.3	173.9	175.8	0	0	0	0	105.9	Y28 V265 F266 D267	Y28-V30 VanDerWaalsContact C-N 3.25Å; Y28-V30 PolarHBondContact O-N 3.37Å; V30-V265 HydrophobicContact CG1-CG1 4.48Å; V30-V265 VanDerWaalsContact CG1-O 3.31Å; V30-V265 WeakPolarHBondContact CG1-O 3.34Å; V30-V265 HydrophobicContact CG2-CG1 4.29Å; V30-F266 HydrophobicContact CG1-CB 4.48Å; V30-D267 HydrophobicContact CG1-CB 4.21Å
31	K	87.4	Confident	74.5	Confident	174 Å²	174	94.9 Å²	94.9	76%	0.757	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-79.8	141.4	-172.3	-172.1	179.4	175.4	-175.4	0	108.6	S29 D33	S29-K31 PolarHBondContact O-N 2.87Å; K31-D33 PolarHBondContact O-N 2.97Å
32	E	95.6	Very high	77.1	Confident	79 Å²	79	91.5 Å²	91.5	37%	0.369	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-63	123.6	170.4	-173.9	-176.1	131.1	0	0	110.5	K34 D267	E32-K34 PolarHBondContact O-N 3.11Å; E32-D267 CarbonylContact C-O 3.43Å; E32-D267 VanDerWaalsContact CA-O 3.24Å; E32-D267 WeakPolarHBondContact CA-O 3.24Å
33	D	97.3	Very high	79.9	Confident	37 Å²	37	84.4 Å²	84.4	20%	0.198	42%	0.419	C	S	.	.			trans	-80	95.6	165.7	-170.1	-35.9	0	0	0	108.3	K31 E35 L36 S37 H261 F266 D267 V268	K31-D33 PolarHBondContact O-N 2.97Å; D33-E35 VanDerWaalsContact C-N 3.25Å; D33-E35 PolarHBondContact O-N 3.45Å; D33-E35 PolarHBondContact OD1-N 3.45Å; D33-E35 VanDerWaalsContact OD1-N 3.13Å; D33-L36 HydrophobicContact CB-CB 4.09Å; D33-L36 HydrophobicContact CB-CD1 4.44Å; D33-L36 PolarHBondContact O-N 2.98Å; D33-L36 PolarHBondContact OD1-N 3.49Å; D33-L36 WeakPolarHBondContact OD2-CD1 3.39Å; D33-S37 VanDerWaalsContact O-CB 3.31Å; D33-S37 WeakPolarHBondContact O-CB 3.31Å; D33-S37 PolarHBondContact O-N 3.13Å; D33-S37 PolarHBondContact O-OG 2.61Å; D33-H261 IonicContact OD2-CD2 2.68Å; D33-H261 IonicContact OD2-CE1 3.45Å; D33-H261 IonicContact OD2-NE2 2.71Å; D33-H261 PolarHBondContact OD2-NE2 2.9Å; D33-F266 HydrophobicContact CB-CD2 4Å; D33-D267 PolarHBondContact N-O 3.24Å; D33-V268 HydrophobicContact CB-CG1 4.36Å
34	K	97.9	Very high	82.5	Confident	161 Å²	161	79.6 Å²	79.6	70%	0.7	40%	0.396	S	S	*	.	H	α-helix	trans	-64.6	-30.9	-176.7	-68.1	-173.8	175.9	-175.4	0	113	E32 K38	E32-K34 PolarHBondContact O-N 3.11Å; K34-K38 PolarHBondContact O-N 2.92Å; K34-K38 VanDerWaalsContact O-N 3.11Å
35	E	98.1	Very high	85.2	Confident	93 Å²	93	81.8 Å²	81.8	44%	0.435	40%	0.399	S	S	.	.	H	α-helix	trans	-71.7	-48.9	-178.9	-156.7	-154.8	125.9	0	0	109.9	D33 S37 K38 F39 Y141 K145	D33-E35 VanDerWaalsContact C-N 3.25Å; D33-E35 PolarHBondContact O-N 3.45Å; D33-E35 PolarHBondContact OD1-N 3.45Å; D33-E35 VanDerWaalsContact OD1-N 3.13Å; E35-S37 VanDerWaalsContact C-N 3.31Å; E35-S37 PolarHBondContact O-N 3.07Å; E35-K38 PolarHBondContact O-N 2.78Å; E35-F39 PolarHBondContact O-N 3.32Å; E35-Y141 WeakPolarHBondContact OE1-CE2 3.17Å; E35-Y141 PolarHBondContact OE1-OH 3.29Å; E35-K145 WeakPolarHBondContact OE1-CE 3.49Å; E35-K145 IonicContact OE1-NZ 3.75Å; E35-K145 PolarHBondContact OE1-NZ 2.69Å; E35-K145 IonicContact OE2-NZ 2.91Å; E35-K145 PolarHBondContact OE2-NZ 2.83Å
36	L	98.5	Very high	87.8	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-66.2	-32.6	173.7	-72.8	-176.4	0	0	0	112.6	D33 K38 F39 F40 Y141 V256 L260 F266 V268	D33-L36 HydrophobicContact CB-CB 4.09Å; D33-L36 HydrophobicContact CB-CD1 4.44Å; D33-L36 PolarHBondContact O-N 2.98Å; D33-L36 PolarHBondContact OD1-N 3.49Å; D33-L36 WeakPolarHBondContact OD2-CD1 3.39Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 3.14Å; L36-F39 PolarHBondContact O-N 2.97Å; L36-F40 HydrophobicContact CB-CD2 4.16Å; L36-F40 HydrophobicContact CB-CE2 3.9Å; L36-F40 HydrophobicContact CB-CZ 4.37Å; L36-F40 HydrophobicContact CD1-CE2 4.21Å; L36-F40 HydrophobicContact CD1-CZ 4.27Å; L36-F40 HydrophobicContact CD2-CE1 4.18Å; L36-F40 HydrophobicContact CD2-CE2 4.27Å; L36-F40 HydrophobicContact CD2-CZ 3.88Å; L36-F40 HydrophobicContact CG-CE2 4.38Å; L36-F40 HydrophobicContact CG-CZ 4.43Å; L36-F40 VanDerWaalsContact O-CB 3.27Å; L36-F40 WeakPolarHBondContact O-CB 3.44Å; L36-F40 WeakPolarHBondContact O-CD2 3.47Å; L36-F40 VanDerWaalsContact O-CG 3.25Å; L36-F40 WeakPolarHBondContact O-CG 3.38Å; L36-F40 PolarHBondContact O-N 2.97Å; L36-Y141 HydrophobicContact CD2-CE1 4.03Å; L36-V256 HydrophobicContact CD2-CG1 3.62Å; L36-L260 HydrophobicContact CD1-CD1 4.27Å; L36-L260 HydrophobicContact CD2-CD1 3.86Å; L36-L260 HydrophobicContact CG-CD1 4.3Å; L36-F266 HydrophobicContact CD1-CD2 4.35Å; L36-F266 HydrophobicContact CD1-CE2 3.49Å; L36-F266 VanDerWaalsContact CD1-CE2 3.49Å; L36-F266 HydrophobicContact CD1-CZ 3.8Å; L36-V268 HydrophobicContact CB-CG1 3.96Å
37	S	98.7	Very high	90.5	Very high	7 Å²	7	74 Å²	74	5%	0.049	35%	0.345	C	S	.	.	H	α-helix	trans	-58.4	-46.3	172.5	-62.3	0	0	0	0	111.4	D33 E35 T41 V268 N269	D33-S37 VanDerWaalsContact O-CB 3.31Å; D33-S37 WeakPolarHBondContact O-CB 3.31Å; D33-S37 PolarHBondContact O-N 3.13Å; D33-S37 PolarHBondContact O-OG 2.61Å; E35-S37 VanDerWaalsContact C-N 3.31Å; E35-S37 PolarHBondContact O-N 3.07Å; S37-T41 VanDerWaalsContact O-CB 3.29Å; S37-T41 WeakPolarHBondContact O-CB 3.31Å; S37-T41 PolarHBondContact O-N 3.25Å; S37-T41 PolarHBondContact O-OG1 3.41Å; S37-V268 VanDerWaalsContact OG-CA 3.31Å; S37-V268 WeakPolarHBondContact OG-CA 3.41Å; S37-N269 CarbonylContact C-O 3.52Å; S37-N269 WeakPolarHBondContact CB-O 3.36Å; S37-N269 VanDerWaalsContact O-O 3.12Å; S37-N269 PolarHBondContact OG-N 3.14Å
38	K	98.7	Very high	93.1	Very high	136 Å²	136	69.2 Å²	69.2	59%	0.591	34%	0.338	S	S	*	.	H	α-helix	trans	-62.8	-51.8	174.8	-174.8	-168.7	172.7	-62.8	0	110.8	K34 E35 L36 F40 T41 D42	K34-K38 PolarHBondContact O-N 2.92Å; K34-K38 VanDerWaalsContact O-N 3.11Å; E35-K38 PolarHBondContact O-N 2.78Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 3.14Å; K38-F40 PolarHBondContact O-N 2.91Å; K38-T41 WeakPolarHBondContact O-CB 3.29Å; K38-T41 PolarHBondContact O-N 2.8Å; K38-D42 IonicContact NZ-OD2 2.69Å; K38-D42 PolarHBondContact NZ-OD2 3.46Å; K38-D42 PolarHBondContact O-N 2.94Å
39	F	98.9	Very high	95.3	Very high	19 Å²	19	61 Å²	61	8%	0.083	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-43.9	-175.2	-178.8	-108.6	0	0	0	112.9	E35 L36 T41 D42 L43 M137 Y141 V256	E35-F39 PolarHBondContact O-N 3.32Å; L36-F39 PolarHBondContact O-N 2.97Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.46Å; F39-D42 WeakPolarHBondContact O-CA 3.42Å; F39-D42 WeakPolarHBondContact O-CB 3.05Å; F39-D42 PolarHBondContact O-N 3.37Å; F39-D42 VanDerWaalsContact O-N 3.09Å; F39-L43 HydrophobicContact CD1-CD1 4.27Å; F39-L43 HydrophobicContact CD1-CG 4.39Å; F39-L43 HydrophobicContact CE1-CD1 3.69Å; F39-L43 HydrophobicContact CE1-CD2 4.18Å; F39-L43 HydrophobicContact CE1-CG 3.92Å; F39-L43 HydrophobicContact CE2-CD2 4.32Å; F39-L43 HydrophobicContact CZ-CD1 4.18Å; F39-L43 HydrophobicContact CZ-CD2 3.8Å; F39-L43 HydrophobicContact CZ-CG 4.02Å; F39-L43 PolarHBondContact O-N 2.87Å; F39-M137 HydrophobicContact CE2-CB 4.47Å; F39-Y141 HydrophobicContact CB-CE2 4.21Å; F39-Y141 AromaticContact CD1-CD1 3.96Å; F39-Y141 HydrophobicContact CD1-CD1 3.96Å; F39-Y141 HydrophobicContact CD1-CD2 4.33Å; F39-Y141 HydrophobicContact CD1-CE1 4.08Å; F39-Y141 HydrophobicContact CD1-CE2 4.46Å; F39-Y141 HydrophobicContact CD1-CG 4.08Å; F39-Y141 AromaticContact CD2-CD2 3.61Å; F39-Y141 HydrophobicContact CD2-CD2 3.61Å; F39-Y141 HydrophobicContact CD2-CE2 4.09Å; F39-Y141 AromaticContact CD2-CG 3.88Å; F39-Y141 HydrophobicContact CD2-CG 3.88Å; F39-Y141 AromaticContact CE1-CD1 3.8Å; F39-Y141 HydrophobicContact CE1-CD1 3.8Å; F39-Y141 HydrophobicContact CE1-CD2 4.49Å; F39-Y141 HydrophobicContact CE1-CE1 4.36Å; F39-Y141 AromaticContact CE1-CG 3.87Å; F39-Y141 HydrophobicContact CE1-CG 3.87Å; F39-Y141 HydrophobicContact CE2-CD1 4.42Å; F39-Y141 AromaticContact CE2-CD2 3.8Å; F39-Y141 HydrophobicContact CE2-CD2 3.8Å; F39-Y141 AromaticContact CE2-CG 3.66Å; F39-Y141 HydrophobicContact CE2-CG 3.66Å; F39-Y141 HydrophobicContact CG-CD1 4.35Å; F39-Y141 AromaticContact CG-CD2 3.89Å; F39-Y141 HydrophobicContact CG-CD2 3.89Å; F39-Y141 HydrophobicContact CG-CE1 4.41Å; F39-Y141 AromaticContact CG-CE2 3.98Å; F39-Y141 HydrophobicContact CG-CE2 3.98Å; F39-Y141 HydrophobicContact CG-CG 4.09Å; F39-Y141 VanDerWaalsContact CZ-CB 3.43Å; F39-Y141 HydrophobicContact CZ-CD1 4.04Å; F39-Y141 HydrophobicContact CZ-CD2 4.25Å; F39-Y141 AromaticContact CZ-CG 3.65Å; F39-Y141 HydrophobicContact CZ-CG 3.65Å; F39-V256 HydrophobicContact CD1-CG1 4.32Å; F39-V256 HydrophobicContact CE1-CG1 4.3Å; F39-V256 HydrophobicContact CE1-CG2 4.01Å
40	F	98.8	Very high	96.9	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.9	-30	176.5	-63.9	-24.1	0	0	0	112.8	L36 K38 D42 L43 Y44 V253 V256 A257 F266 V268 I270 I277	L36-F40 HydrophobicContact CB-CD2 4.16Å; L36-F40 HydrophobicContact CB-CE2 3.9Å; L36-F40 HydrophobicContact CB-CZ 4.37Å; L36-F40 HydrophobicContact CD1-CE2 4.21Å; L36-F40 HydrophobicContact CD1-CZ 4.27Å; L36-F40 HydrophobicContact CD2-CE1 4.18Å; L36-F40 HydrophobicContact CD2-CE2 4.27Å; L36-F40 HydrophobicContact CD2-CZ 3.88Å; L36-F40 HydrophobicContact CG-CE2 4.38Å; L36-F40 HydrophobicContact CG-CZ 4.43Å; L36-F40 VanDerWaalsContact O-CB 3.27Å; L36-F40 WeakPolarHBondContact O-CB 3.44Å; L36-F40 WeakPolarHBondContact O-CD2 3.47Å; L36-F40 VanDerWaalsContact O-CG 3.25Å; L36-F40 WeakPolarHBondContact O-CG 3.38Å; L36-F40 PolarHBondContact O-N 2.97Å; K38-F40 PolarHBondContact O-N 2.91Å; F40-D42 VanDerWaalsContact C-N 3.34Å; F40-L43 HydrophobicContact CD1-CD1 3.97Å; F40-L43 HydrophobicContact CE1-CD1 4.49Å; F40-L43 PolarHBondContact O-N 2.88Å; F40-Y44 WeakPolarHBondContact O-CB 3.31Å; F40-Y44 PolarHBondContact O-N 2.71Å; F40-V253 HydrophobicContact CD1-CG2 4.02Å; F40-V253 HydrophobicContact CD2-CG1 4.33Å; F40-V253 HydrophobicContact CE1-CB 4.39Å; F40-V253 HydrophobicContact CE1-CG1 4.31Å; F40-V253 HydrophobicContact CE1-CG2 4.33Å; F40-V253 HydrophobicContact CE2-CG1 4.12Å; F40-V253 HydrophobicContact CG-CG2 4.27Å; F40-V253 HydrophobicContact CZ-CG1 4.09Å; F40-V256 HydrophobicContact CE1-CB 3.88Å; F40-V256 HydrophobicContact CE1-CG1 3.73Å; F40-V256 HydrophobicContact CZ-CB 4.22Å; F40-V256 HydrophobicContact CZ-CG1 3.95Å; F40-A257 HydrophobicContact CZ-CB 4.33Å; F40-F266 HydrophobicContact CE2-CE2 4.5Å; F40-V268 HydrophobicContact CD2-CB 4.41Å; F40-V268 HydrophobicContact CD2-CG1 4.11Å; F40-V268 HydrophobicContact CD2-CG2 4.17Å; F40-V268 HydrophobicContact CE2-CG1 4.27Å; F40-I270 HydrophobicContact CB-CD1 3.95Å; F40-I270 HydrophobicContact CB-CG1 3.87Å; F40-I270 HydrophobicContact CD2-CD1 4.47Å; F40-I277 HydrophobicContact CD2-CD1 3.91Å; F40-I277 HydrophobicContact CE2-CD1 3.42Å; F40-I277 VanDerWaalsContact CE2-CD1 3.42Å; F40-I277 HydrophobicContact CZ-CD1 4.34Å
41	T	98.8	Very high	97.8	Very high	29 Å²	29	56.7 Å²	56.7	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-41.7	167.6	-63.8	0	0	0	0	111.3	S37 K38 F39 Y44 N45 N269 I270 A271	S37-T41 VanDerWaalsContact O-CB 3.29Å; S37-T41 WeakPolarHBondContact O-CB 3.31Å; S37-T41 PolarHBondContact O-N 3.25Å; S37-T41 PolarHBondContact O-OG1 3.41Å; K38-T41 WeakPolarHBondContact O-CB 3.29Å; K38-T41 PolarHBondContact O-N 2.8Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.46Å; T41-Y44 PolarHBondContact O-N 2.68Å; T41-N45 VanDerWaalsContact O-CG 3.27Å; T41-N45 PolarHBondContact O-N 2.94Å; T41-N45 PolarHBondContact O-ND2 2.82Å; T41-N269 PolarHBondContact OG1-O 3.22Å; T41-N269 VanDerWaalsContact OG1-O 3.14Å; T41-I270 WeakPolarHBondContact OG1-CA 3.34Å; T41-A271 HydrophobicContact CG2-CB 4.17Å; T41-A271 PolarHBondContact OG1-N 2.73Å
42	D	98.9	Very high	98.2	Very high	55 Å²	55	53.9 Å²	53.9	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-64.6	-40.1	176.5	-65.6	-28.1	0	0	0	111.3	K38 F39 F40 A46 M137	K38-D42 IonicContact NZ-OD2 2.69Å; K38-D42 PolarHBondContact NZ-OD2 3.46Å; K38-D42 PolarHBondContact O-N 2.94Å; F39-D42 WeakPolarHBondContact O-CA 3.42Å; F39-D42 WeakPolarHBondContact O-CB 3.05Å; F39-D42 PolarHBondContact O-N 3.37Å; F39-D42 VanDerWaalsContact O-N 3.09Å; F40-D42 VanDerWaalsContact C-N 3.34Å; D42-A46 WeakPolarHBondContact O-CB 3.21Å; D42-A46 PolarHBondContact O-N 3.23Å; D42-A46 VanDerWaalsContact O-N 3.08Å; D42-M137 HydrophobicContact CB-CE 3.75Å
43	L	98.9	Very high	98.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-45.7	172.5	-66.5	-174.2	0	0	0	112.1	F39 F40 N45 A46 D47 V134 M137 F249 A252 V253	F39-L43 HydrophobicContact CD1-CD1 4.27Å; F39-L43 HydrophobicContact CD1-CG 4.39Å; F39-L43 HydrophobicContact CE1-CD1 3.69Å; F39-L43 HydrophobicContact CE1-CD2 4.18Å; F39-L43 HydrophobicContact CE1-CG 3.92Å; F39-L43 HydrophobicContact CE2-CD2 4.32Å; F39-L43 HydrophobicContact CZ-CD1 4.18Å; F39-L43 HydrophobicContact CZ-CD2 3.8Å; F39-L43 HydrophobicContact CZ-CG 4.02Å; F39-L43 PolarHBondContact O-N 2.87Å; F40-L43 HydrophobicContact CD1-CD1 3.97Å; F40-L43 HydrophobicContact CE1-CD1 4.49Å; F40-L43 PolarHBondContact O-N 2.88Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 3.15Å; L43-A46 CarbonylContact O-C 3.53Å; L43-A46 WeakPolarHBondContact O-CA 3.46Å; L43-A46 PolarHBondContact O-N 3.26Å; L43-D47 PolarHBondContact O-N 2.93Å; L43-V134 HydrophobicContact CD2-CG1 4.15Å; L43-M137 HydrophobicContact CD2-CB 3.82Å; L43-M137 HydrophobicContact CD2-CE 4.17Å; L43-M137 HydrophobicContact CD2-SD 4.47Å; L43-F249 HydrophobicContact CB-CD2 4.15Å; L43-F249 HydrophobicContact CB-CE2 4.07Å; L43-A252 HydrophobicContact CD1-CB 3.81Å; L43-V253 HydrophobicContact CD1-CG2 4.31Å
44	Y	98.4	Very high	98.2	Very high	71 Å²	71	54.7 Å²	54.7	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-59.2	-43.7	179.4	179.9	-92.8	0	0	0	111.2	F40 T41 A46 D47 Q222 F242 F249 I270 A271	F40-Y44 WeakPolarHBondContact O-CB 3.31Å; F40-Y44 PolarHBondContact O-N 2.71Å; T41-Y44 PolarHBondContact O-N 2.68Å; Y44-A46 VanDerWaalsContact C-N 3.25Å; Y44-A46 PolarHBondContact O-N 2.84Å; Y44-D47 PolarHBondContact O-N 2.95Å; Y44-Q222 PolarHBondContact OH-NE2 3.35Å; Y44-F242 HydrophobicContact CE2-CE1 4.38Å; Y44-F242 HydrophobicContact CE2-CZ 4.31Å; Y44-F249 HydrophobicContact CD2-CE2 4.28Å; Y44-F249 HydrophobicContact CD2-CZ 4.19Å; Y44-I270 HydrophobicContact CD2-CG2 4.15Å; Y44-I270 HydrophobicContact CG-CG2 3.97Å; Y44-A271 HydrophobicContact CD1-CB 3.66Å; Y44-A271 HydrophobicContact CE1-CB 3.96Å; Y44-A271 HydrophobicContact CG-CB 4.41Å
45	N	98.5	Very high	98.2	Very high	113 Å²	113	53.5 Å²	53.5	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-69.7	-22	176.2	-66.8	-29.1	0	0	0	113.2	T41 L43	T41-N45 VanDerWaalsContact O-CG 3.27Å; T41-N45 PolarHBondContact O-N 2.94Å; T41-N45 PolarHBondContact O-ND2 2.82Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 3.15Å
46	A	98.7	Very high	98.2	Very high	6 Å²	6	49.7 Å²	49.7	5%	0.05	27%	0.269	C	S	.	.	H	α-helix	trans	-90.5	-7.6	176.6	0	0	0	0	0	113.6	D42 L43 Y44 V48 K133 V134 M137	D42-A46 WeakPolarHBondContact O-CB 3.21Å; D42-A46 PolarHBondContact O-N 3.23Å; D42-A46 VanDerWaalsContact O-N 3.08Å; L43-A46 CarbonylContact O-C 3.53Å; L43-A46 WeakPolarHBondContact O-CA 3.46Å; L43-A46 PolarHBondContact O-N 3.26Å; Y44-A46 VanDerWaalsContact C-N 3.25Å; Y44-A46 PolarHBondContact O-N 2.84Å; A46-V48 VanDerWaalsContact C-N 3.25Å; A46-V48 PolarHBondContact O-N 3.41Å; A46-K133 HydrophobicContact CB-CD 4.08Å; A46-K133 HydrophobicContact CB-CG 4.32Å; A46-V134 HydrophobicContact CB-CG2 4.26Å; A46-M137 HydrophobicContact CB-CE 4.32Å; A46-M137 HydrophobicContact CB-SD 3.58Å; A46-M137 VanDerWaalsContact CB-SD 3.58Å
47	D	98.5	Very high	98.2	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.064	27%	0.269	C	S	.	.			trans	-76.6	72.2	-179.3	-171.3	10.9	0	0	0	111.9	L43 Y44 N49 A50 V134 S246 F249	L43-D47 PolarHBondContact O-N 2.93Å; Y44-D47 PolarHBondContact O-N 2.95Å; D47-N49 PolarHBondContact O-N 3.27Å; D47-N49 VanDerWaalsContact O-N 3.1Å; D47-N49 PolarHBondContact OD1-N 3Å; D47-A50 HydrophobicContact CB-CB 4.33Å; D47-A50 WeakPolarHBondContact O-CB 3.43Å; D47-A50 PolarHBondContact O-N 3.01Å; D47-A50 VanDerWaalsContact O-N 3.08Å; D47-A50 PolarHBondContact OD1-N 3.2Å; D47-V134 HydrophobicContact CB-CG2 4.23Å; D47-S246 WeakPolarHBondContact OD1-CB 3.48Å; D47-S246 PolarHBondContact OD1-OG 2.73Å; D47-S246 PolarHBondContact OD2-N 3.46Å; D47-S246 PolarHBondContact OD2-OG 3.27Å; D47-F249 HydrophobicContact CB-CB 4.35Å; D47-F249 HydrophobicContact CB-CD2 4.36Å; D47-F249 VanDerWaalsContact OD2-CB 3.29Å; D47-F249 WeakPolarHBondContact OD2-CB 3.47Å
48	V	98.2	Very high	98.1	Very high	121 Å²	121	54.4 Å²	54.4	73%	0.733	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.9	177.8	-62.1	0	0	0	0	113.5	A46	A46-V48 VanDerWaalsContact C-N 3.25Å; A46-V48 PolarHBondContact O-N 3.41Å
49	N	98.4	Very high	98.1	Very high	34 Å²	34	49.1 Å²	49.1	18%	0.182	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	8.1	178.9	-72.6	-35.4	0	0	0	112.6	D47 R91 F94 E248	D47-N49 PolarHBondContact O-N 3.27Å; D47-N49 VanDerWaalsContact O-N 3.1Å; D47-N49 PolarHBondContact OD1-N 3Å; N49-R91 PolarHBondContact O-NH1 2.95Å; N49-F94 HydrophobicContact CB-CE2 4.16Å; N49-F94 VanDerWaalsContact O-CE2 3.24Å; N49-F94 WeakPolarHBondContact O-CE2 3.4Å; N49-F94 WeakPolarHBondContact O-CZ 3.32Å; N49-E248 VanDerWaalsContact CB-OE1 3.29Å; N49-E248 WeakPolarHBondContact CB-OE1 3.44Å; N49-E248 PolarHBondContact ND2-OE1 2.89Å
50	A	98.1	Very high	98.1	Very high	34 Å²	34	50.3 Å²	50.3	28%	0.281	27%	0.271	S	S	.	.			trans	-58.8	156.2	167	0	0	0	0	0	111.2	D47 R91 G244	D47-A50 HydrophobicContact CB-CB 4.33Å; D47-A50 WeakPolarHBondContact O-CB 3.43Å; D47-A50 PolarHBondContact O-N 3.01Å; D47-A50 VanDerWaalsContact O-N 3.08Å; D47-A50 PolarHBondContact OD1-N 3.2Å; A50-R91 PolarHBondContact O-NH1 3.21Å; A50-G244 CarbonylContact C-O 3.57Å; A50-G244 VanDerWaalsContact CA-O 3.27Å; A50-G244 WeakPolarHBondContact CA-O 3.34Å; A50-G244 WeakPolarHBondContact CB-O 3.45Å
51	V	98.1	Very high	98	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.055	28%	0.276	C	S	.	.			trans	-111.2	142.3	173.8	-60.1	0	0	0	0	110.2	D56 Y57 I87 R91 F94 W197 G244	V51-D56 HydrophobicContact CB-CB 3.71Å; V51-D56 HydrophobicContact CG1-CB 4.28Å; V51-Y57 HydrophobicContact CB-CD1 4.31Å; V51-Y57 HydrophobicContact CG2-CD1 3.72Å; V51-Y57 HydrophobicContact CG2-CE1 4.09Å; V51-Y57 WeakPolarHBondContact O-CE1 3.25Å; V51-I87 HydrophobicContact CG1-CD1 3.92Å; V51-I87 HydrophobicContact CG1-CG2 3.73Å; V51-R91 VanDerWaalsContact CG1-NH1 3.32Å; V51-F94 HydrophobicContact CG1-CZ 4.31Å; V51-W197 HydrophobicContact CG1-CH2 4.4Å; V51-W197 HydrophobicContact CG1-CZ2 4.42Å; V51-W197 HydrophobicContact CG2-CH2 3.65Å; V51-W197 HydrophobicContact CG2-CZ2 3.49Å; V51-W197 VanDerWaalsContact CG2-CZ2 3.49Å; V51-G244 PolarHBondContact N-O 2.76Å
52	E	96.5	Very high	97.9	Very high	115 Å²	115	52.7 Å²	52.7	54%	0.537	28%	0.28	S	S	.	.			trans	-103	132.9	-170.7	-173.5	178.7	-176.7	0	0	112.8	G54 K55 D56 Y57	E52-G54 PolarHBondContact O-N 2.74Å; E52-K55 HydrophobicContact CB-CB 4.29Å; E52-K55 PolarHBondContact O-N 2.86Å; E52-D56 PolarHBondContact N-OD2 2.9Å; E52-D56 PolarHBondContact O-N 3.05Å; E52-Y57 VanDerWaalsContact C-CE1 3.47Å; E52-Y57 PolarHBondContact O-N 3.03Å
53	N	96.3	Very high	97.7	Very high	74 Å²	74	51 Å²	51	40%	0.396	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-63.8	133.8	175.6	-170.1	6.4	0	0	0	110.7	K55 Y57	N53-K55 PolarHBondContact O-N 3.12Å; N53-Y57 HydrophobicContact CB-CE1 3.91Å; N53-Y57 HydrophobicContact CB-CE2 3.95Å; N53-Y57 PolarHBondContact OD1-O 3.47Å
54	G	95.7	Very high	97.5	Very high	59 Å²	59	57.1 Å²	57.1	61%	0.608	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-16.2	-178.1	0	0	0	0	0	114.3	E52 Y57	E52-G54 PolarHBondContact O-N 2.74Å; G54-Y57 PolarHBondContact N-O 3.32Å
55	K	97.6	Very high	97.3	Very high	137 Å²	137	53.9 Å²	53.9	60%	0.596	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-58.3	176.6	178.5	-172.6	171.6	-171.9	0	111.7	E52 N53	E52-K55 HydrophobicContact CB-CB 4.29Å; E52-K55 PolarHBondContact O-N 2.86Å; N53-K55 PolarHBondContact O-N 3.12Å
56	D	98.3	Very high	96.8	Very high	12 Å²	12	51 Å²	51	6%	0.064	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-24	-173.5	-60.6	-41.9	0	0	0	112.1	V51 E52 I83 N84 I87	V51-D56 HydrophobicContact CB-CB 3.71Å; V51-D56 HydrophobicContact CG1-CB 4.28Å; E52-D56 PolarHBondContact N-OD2 2.9Å; E52-D56 PolarHBondContact O-N 3.05Å; D56-I83 CarbonylContact O-C 3.38Å; D56-N84 PolarHBondContact O-N 3.19Å; D56-I87 HydrophobicContact CB-CD1 3.66Å; D56-I87 VanDerWaalsContact CG-CD1 3.43Å; D56-I87 WeakPolarHBondContact OD1-CD1 3.3Å
57	Y	98.4	Very high	95.7	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160	173.1	74	-85.4	0	0	0	113	V51 E52 N53 G54 L59 F82 I83 V243	V51-Y57 HydrophobicContact CB-CD1 4.31Å; V51-Y57 HydrophobicContact CG2-CD1 3.72Å; V51-Y57 HydrophobicContact CG2-CE1 4.09Å; V51-Y57 WeakPolarHBondContact O-CE1 3.25Å; E52-Y57 VanDerWaalsContact C-CE1 3.47Å; E52-Y57 PolarHBondContact O-N 3.03Å; N53-Y57 HydrophobicContact CB-CE1 3.91Å; N53-Y57 HydrophobicContact CB-CE2 3.95Å; N53-Y57 PolarHBondContact OD1-O 3.47Å; G54-Y57 PolarHBondContact N-O 3.32Å; Y57-L59 HydrophobicContact CD2-CD2 4.05Å; Y57-L59 HydrophobicContact CD2-CG 4.02Å; Y57-L59 HydrophobicContact CE2-CD1 4.16Å; Y57-L59 HydrophobicContact CE2-CD2 4.2Å; Y57-L59 HydrophobicContact CE2-CG 3.86Å; Y57-F82 CarbonylContact C-O 3.43Å; Y57-F82 WeakPolarHBondContact CA-O 3.31Å; Y57-F82 WeakPolarHBondContact CB-O 3.39Å; Y57-I83 VanDerWaalsContact CB-CD1 3.4Å; Y57-I83 HydrophobicContact CG-CD1 4.45Å; Y57-V243 HydrophobicContact CD2-CG1 3.86Å; Y57-V243 HydrophobicContact CE1-CG1 4.29Å; Y57-V243 HydrophobicContact CE2-CB 4.32Å; Y57-V243 HydrophobicContact CE2-CG1 3.39Å; Y57-V243 HydrophobicContact CG-CG1 4.49Å
58	R	98.3	Very high	94.5	Very high	104 Å²	104	63.8 Å²	63.8	39%	0.392	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	137.2	168.6	-62.7	-174.4	-62.8	124.9	8.5	110.4	E81 F82	R58-E81 HydrophobicContact CB-CB 4.44Å; R58-E81 IonicContact CZ-OE1 2.65Å; R58-E81 IonicContact CZ-OE2 2.65Å; R58-E81 VanDerWaalsContact NH1-CD 3.31Å; R58-E81 IonicContact NH1-OE1 2.9Å; R58-E81 PolarHBondContact NH1-OE1 2.99Å; R58-E81 IonicContact NH1-OE2 3.95Å; R58-E81 PolarHBondContact NH1-OE2 3.43Å; R58-E81 IonicContact NH2-OE1 3Å; R58-E81 PolarHBondContact NH2-OE1 3.01Å; R58-E81 PolarHBondContact O-N 3.4Å; R58-F82 HydrophobicContact CB-CB 4.23Å; R58-F82 PolarHBondContact N-O 3.01Å; R58-F82 PolarHBondContact O-N 3.08Å
59	L	98.4	Very high	93.3	Very high	26 Å²	26	63.3 Å²	63.3	14%	0.136	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	138	179.2	-59.1	-179.7	0	0	0	111.5	Y57 L61 L79 F80 D221 I224 V243	Y57-L59 HydrophobicContact CD2-CD2 4.05Å; Y57-L59 HydrophobicContact CD2-CG 4.02Å; Y57-L59 HydrophobicContact CE2-CD1 4.16Å; Y57-L59 HydrophobicContact CE2-CD2 4.2Å; Y57-L59 HydrophobicContact CE2-CG 3.86Å; L59-L61 HydrophobicContact CB-CD2 4.29Å; L59-L61 HydrophobicContact CB-CG 4.19Å; L59-L61 HydrophobicContact CD1-CD2 4.25Å; L59-L79 CarbonylContact C-O 3.59Å; L59-L79 WeakPolarHBondContact CA-O 2.97Å; L59-L79 HydrophobicContact CB-CD1 4.43Å; L59-L79 HydrophobicContact CD2-CD1 4.27Å; L59-L79 HydrophobicContact CD2-CG 4.17Å; L59-F80 HydrophobicContact CD2-CD1 3.63Å; L59-F80 HydrophobicContact CD2-CE1 3.53Å; L59-F80 HydrophobicContact CD2-CG 4.4Å; L59-F80 HydrophobicContact CD2-CZ 4.21Å; L59-D221 HydrophobicContact CD1-CB 4.33Å; L59-I224 HydrophobicContact CD1-CD1 4.42Å; L59-V243 HydrophobicContact CD1-CG2 4.37Å; L59-V243 HydrophobicContact CD2-CG1 4.3Å
60	N	97.9	Very high	92.1	Very high	43 Å²	43	63.5 Å²	63.5	23%	0.23	34%	0.343	C	S	.	.			trans	-106	80.4	169.6	175.5	34.4	0	0	0	109.8	Q62 K77 P78 L79 E81	N60-Q62 VanDerWaalsContact C-N 3.34Å; N60-Q62 PolarHBondContact ND2-NE2 2.89Å; N60-Q62 PolarHBondContact O-N 2.86Å; N60-Q62 PolarHBondContact O-NE2 3.47Å; N60-Q62 VanDerWaalsContact O-NE2 3.08Å; N60-Q62 WeakPolarHBondContact OD1-CG 3.27Å; N60-K77 VanDerWaalsContact ND2-CB 3.3Å; N60-K77 WeakPolarHBondContact ND2-CB 3.12Å; N60-P78 PolarHBondContact ND2-O 2.83Å; N60-L79 PolarHBondContact N-O 3.11Å; N60-E81 HydrophobicContact CB-CB 4.04Å
61	L	96.8	Very high	91.1	Very high	21 Å²	21	66 Å²	66	11%	0.11	36%	0.358	C	S	.	.			trans	-68.3	-26	-169.8	-67.5	169	0	0	0	114.8	L59 G63 L79 F211 W214 D221	L59-L61 HydrophobicContact CB-CD2 4.29Å; L59-L61 HydrophobicContact CB-CG 4.19Å; L59-L61 HydrophobicContact CD1-CD2 4.25Å; L61-G63 PolarHBondContact O-N 2.8Å; L61-L79 HydrophobicContact CD2-CD1 3.9Å; L61-F211 WeakPolarHBondContact O-CE1 3.32Å; L61-F211 WeakPolarHBondContact O-CZ 3.43Å; L61-W214 VanDerWaalsContact O-CD1 3.26Å; L61-D221 HydrophobicContact CD1-CB 4.4Å
62	Q	96.4	Very high	90.7	Very high	58 Å²	58	68.7 Å²	68.7	27%	0.271	38%	0.375	S	S	.	.			trans	51	-131.6	177.3	-60.8	165	91.4	0	0	112.8	N60 A75 K77	N60-Q62 VanDerWaalsContact C-N 3.34Å; N60-Q62 PolarHBondContact ND2-NE2 2.89Å; N60-Q62 PolarHBondContact O-N 2.86Å; N60-Q62 PolarHBondContact O-NE2 3.47Å; N60-Q62 VanDerWaalsContact O-NE2 3.08Å; N60-Q62 WeakPolarHBondContact OD1-CG 3.27Å; Q62-A75 HydrophobicContact CB-CB 3.91Å; Q62-A75 HydrophobicContact CG-CB 4.39Å; Q62-K77 PolarHBondContact NE2-O 1.98Å
63	G	95.2	Very high	90.6	Very high	19 Å²	19	66.5 Å²	66.5	20%	0.196	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-80.1	144.5	-171.9	0	0	0	0	0	115.4	L61 L74 G213 W214	L61-G63 PolarHBondContact O-N 2.8Å; G63-L74 WeakPolarHBondContact CA-O 3.4Å; G63-L74 PolarHBondContact N-O 2.92Å; G63-G213 VanDerWaalsContact O-CA 3.3Å; G63-G213 WeakPolarHBondContact O-CA 3.17Å; G63-W214 VanDerWaalsContact O-CD1 3.29Å; G63-W214 PolarHBondContact O-N 3.02Å; G63-W214 VanDerWaalsContact O-N 3.15Å
64	K	95.7	Very high	90.5	Very high	130 Å²	130	66.7 Å²	66.7	57%	0.565	37%	0.367	S	S	*	.	B	Isolated β-bridge	trans	-86.7	123.3	168.3	-173.9	-175.4	-174.5	178.4	0	109.8	L74 W214	K64-L74 WeakPolarHBondContact O-CD1 3.5Å; K64-W214 CarbonylContact C-O 3.47Å; K64-W214 WeakPolarHBondContact CA-O 3.47Å; K64-W214 HydrophobicContact CB-CD2 4.2Å; K64-W214 HydrophobicContact CB-CH2 3.99Å; K64-W214 HydrophobicContact CB-CZ2 3.57Å; K64-W214 HydrophobicContact CB-CZ3 4.44Å; K64-W214 HydrophobicContact CD-CE3 4.46Å; K64-W214 HydrophobicContact CD-CH2 3.43Å; K64-W214 VanDerWaalsContact CD-CH2 3.43Å; K64-W214 HydrophobicContact CD-CZ2 3.91Å; K64-W214 HydrophobicContact CD-CZ3 3.74Å; K64-W214 HydrophobicContact CG-CD2 4.09Å; K64-W214 HydrophobicContact CG-CE3 3.93Å; K64-W214 HydrophobicContact CG-CH2 3.62Å; K64-W214 HydrophobicContact CG-CZ2 3.75Å; K64-W214 HydrophobicContact CG-CZ3 3.7Å
65	L	93.5	Very high	90.6	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.016	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-79.9	130.9	172.7	-61.6	164.7	0	0	0	109.7	M69 V72 L74 W214 T215 A227	L65-M69 VanDerWaalsContact CD2-O 3.3Å; L65-M69 WeakPolarHBondContact CD2-O 3.28Å; L65-V72 VanDerWaalsContact CD2-O 3.24Å; L65-V72 WeakPolarHBondContact CD2-O 3.32Å; L65-L74 HydrophobicContact CD2-CB 4.29Å; L65-L74 HydrophobicContact CD2-CD1 3.68Å; L65-L74 HydrophobicContact CD2-CG 3.82Å; L65-L74 HydrophobicContact CG-CD1 4.43Å; L65-W214 PolarHBondContact N-O 2.74Å; L65-T215 HydrophobicContact CB-CG2 3.96Å; L65-A227 HydrophobicContact CD1-CB 3.46Å; L65-A227 VanDerWaalsContact CD1-CB 3.46Å
66	A	88.2	Confident	90.5	Very high	53 Å²	53	62.6 Å²	62.6	44%	0.438	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-67.3	153.9	168.2	0	0	0	0	0	109.8	G68 M69	A66-G68 PolarHBondContact O-N 3.09Å; A66-M69 HydrophobicContact CB-CB 4.06Å; A66-M69 HydrophobicContact CB-CG 3.94Å; A66-M69 HydrophobicContact CB-SD 3.77Å; A66-M69 PolarHBondContact O-N 3.46Å
67	R	75.5	Confident	90.4	Very high	213 Å²	213	68.1 Å²	68.1	80%	0.804	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	126.2	177	-72.8	-174.6	179.2	177.5	0.9	109.5	M69	R67-M69 PolarHBondContact O-N 3Å
68	G	72.3	Confident	90.4	Very high	73 Å²	73	71.1 Å²	71.1	75%	0.753	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-2.1	-177.5	0	0	0	0	0	115.3	A66	A66-G68 PolarHBondContact O-N 3.09Å
69	M	73.1	Confident	90.4	Very high	111 Å²	111	66.2 Å²	66.2	55%	0.547	37%	0.371	S	S	.	.			trans	-103.5	49.5	173.1	-60.4	-170.4	82.8	0	0	110.8	L65 A66 R67 S71	L65-M69 VanDerWaalsContact CD2-O 3.3Å; L65-M69 WeakPolarHBondContact CD2-O 3.28Å; A66-M69 HydrophobicContact CB-CB 4.06Å; A66-M69 HydrophobicContact CB-CG 3.94Å; A66-M69 HydrophobicContact CB-SD 3.77Å; A66-M69 PolarHBondContact O-N 3.46Å; R67-M69 PolarHBondContact O-N 3Å; M69-S71 VanDerWaalsContact C-N 3.29Å
70	D	73.6	Confident	90.4	Very high	38 Å²	38	65.5 Å²	65.5	20%	0.203	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.3	-179.3	66.3	-28.2	0	0	0	112.4	A227 K235 P237	D70-A227 HydrophobicContact CB-CB 4.37Å; D70-K235 WeakPolarHBondContact O-CE 3.42Å; D70-K235 PolarHBondContact O-NZ 3.17Å; D70-K235 IonicContact OD1-NZ 3.02Å; D70-K235 PolarHBondContact OD1-NZ 3.32Å; D70-K235 WeakPolarHBondContact OD2-CE 3.44Å; D70-K235 IonicContact OD2-NZ 3.31Å; D70-K235 PolarHBondContact OD2-NZ 2.89Å; D70-P237 HydrophobicContact CB-CB 4.42Å; D70-P237 WeakPolarHBondContact OD2-CA 2.83Å; D70-P237 WeakPolarHBondContact OD2-CB 3.29Å
71	S	78.1	Confident	90.4	Very high	85 Å²	85	68.5 Å²	68.5	59%	0.594	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.5	-176.5	54.3	0	0	0	0	115	M69 K235	M69-S71 VanDerWaalsContact C-N 3.29Å; S71-K235 VanDerWaalsContact N-NZ 3.13Å
72	V	88.3	Confident	90.5	Very high	67 Å²	67	71.4 Å²	71.4	41%	0.406	39%	0.392	S	S	.	.	S	Bend	trans	-92.8	125.5	178.8	-174.8	0	0	0	0	108.6	L65 L74	L65-V72 VanDerWaalsContact CD2-O 3.24Å; L65-V72 WeakPolarHBondContact CD2-O 3.32Å; V72-L74 HydrophobicContact CB-CD2 4.39Å; V72-L74 HydrophobicContact CB-CG 4.49Å; V72-L74 HydrophobicContact CG1-CD2 3.6Å; V72-L74 HydrophobicContact CG1-CG 4.15Å; V72-L74 PolarHBondContact O-N 3.4Å
73	D	94	Very high	90.6	Very high	68 Å²	68	69.2 Å²	69.2	36%	0.364	38%	0.382	S	S	.	.			trans	-73.7	106.1	170	-169.9	-13.4	0	0	0	109	A75 N210 F212	D73-A75 WeakPolarHBondContact OD1-CA 2.96Å; D73-A75 PolarHBondContact OD1-N 2.97Å; D73-N210 PolarHBondContact OD2-ND2 2.84Å; D73-F212 HydrophobicContact CB-CD1 3.89Å; D73-F212 HydrophobicContact CB-CD2 4.47Å; D73-F212 HydrophobicContact CB-CE1 3.92Å; D73-F212 HydrophobicContact CB-CG 4.17Å; D73-F212 HydrophobicContact CB-CZ 4.24Å
74	L	96	Very high	90.7	Very high	78 Å²	78	70.9 Å²	70.9	41%	0.408	39%	0.386	S	S	.	.			trans	-102.7	16.7	174.8	-58.3	-177.9	0	0	0	111.8	G63 K64 L65 V72 F212	G63-L74 WeakPolarHBondContact CA-O 3.4Å; G63-L74 PolarHBondContact N-O 2.92Å; K64-L74 WeakPolarHBondContact O-CD1 3.5Å; L65-L74 HydrophobicContact CD2-CB 4.29Å; L65-L74 HydrophobicContact CD2-CD1 3.68Å; L65-L74 HydrophobicContact CD2-CG 3.82Å; L65-L74 HydrophobicContact CG-CD1 4.43Å; V72-L74 HydrophobicContact CB-CD2 4.39Å; V72-L74 HydrophobicContact CB-CG 4.49Å; V72-L74 HydrophobicContact CG1-CD2 3.6Å; V72-L74 HydrophobicContact CG1-CG 4.15Å; V72-L74 PolarHBondContact O-N 3.4Å; L74-F212 PolarHBondContact N-O 3.25Å
75	A	96.4	Very high	90.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.367	C	S	.	.			trans	-142.5	87	-177.1	0	0	0	0	0	111.1	Q62 D73 K77 F211	Q62-A75 HydrophobicContact CB-CB 3.91Å; Q62-A75 HydrophobicContact CG-CB 4.39Å; D73-A75 WeakPolarHBondContact OD1-CA 2.96Å; D73-A75 PolarHBondContact OD1-N 2.97Å; A75-K77 PolarHBondContact O-N 3.4Å; A75-K77 VanDerWaalsContact O-N 3.14Å; A75-F211 HydrophobicContact CB-CD1 3.43Å; A75-F211 VanDerWaalsContact CB-CD1 3.43Å; A75-F211 HydrophobicContact CB-CE1 3.58Å; A75-F211 HydrophobicContact CB-CG 4.23Å; A75-F211 HydrophobicContact CB-CZ 4.49Å; A75-F211 WeakPolarHBondContact CB-O 3.17Å; A75-F211 VanDerWaalsContact O-O 3.09Å
76	S	95.4	Very high	91.1	Very high	110 Å²	110	69.9 Å²	69.9	77%	0.769	38%	0.383	S	S	*	.	S	Bend	trans	-73	-1.2	179.3	59.5	0	0	0	0	115.2
77	K	97.8	Very high	91.5	Very high	128 Å²	128	68 Å²	68	56%	0.557	37%	0.366	S	S	*	.	S	Bend	trans	-129.3	162.1	-179.6	-65.6	-178.5	-178.2	-178.3	0	110.5	N60 Q62 A75	N60-K77 VanDerWaalsContact ND2-CB 3.3Å; N60-K77 WeakPolarHBondContact ND2-CB 3.12Å; Q62-K77 PolarHBondContact NE2-O 1.98Å; A75-K77 PolarHBondContact O-N 3.4Å; A75-K77 VanDerWaalsContact O-N 3.14Å
78	P	98.2	Very high	92.6	Very high	66 Å²	66	58.4 Å²	58.4	43%	0.429	33%	0.33	S	S	.	.			trans	-57	150.8	172.7	-26.1	35.8	0	0	0	113.2	N60 E204	N60-P78 PolarHBondContact ND2-O 2.83Å; P78-E204 WeakPolarHBondContact CA-OE1 3.47Å; P78-E204 HydrophobicContact CB-CB 4.39Å
79	L	98.4	Very high	93.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-63.2	-43.3	170.8	169.9	64.7	0	0	0	111	L59 N60 L61 E81 F200 E204 F211 I224	L59-L79 CarbonylContact C-O 3.59Å; L59-L79 WeakPolarHBondContact CA-O 2.97Å; L59-L79 HydrophobicContact CB-CD1 4.43Å; L59-L79 HydrophobicContact CD2-CD1 4.27Å; L59-L79 HydrophobicContact CD2-CG 4.17Å; N60-L79 PolarHBondContact N-O 3.11Å; L61-L79 HydrophobicContact CD2-CD1 3.9Å; L79-E81 PolarHBondContact O-N 3.32Å; L79-F200 HydrophobicContact CB-CE1 4.02Å; L79-F200 HydrophobicContact CD2-CD1 4.16Å; L79-F200 HydrophobicContact CD2-CE1 3.71Å; L79-F200 HydrophobicContact CD2-CZ 4.16Å; L79-E204 PolarHBondContact N-OE1 3.05Å; L79-E204 PolarHBondContact N-OE2 2.87Å; L79-F211 HydrophobicContact CB-CB 4.08Å; L79-F211 HydrophobicContact CB-CD1 3.78Å; L79-F211 HydrophobicContact CB-CD2 4.25Å; L79-F211 HydrophobicContact CB-CE1 4.24Å; L79-F211 HydrophobicContact CB-CG 3.79Å; L79-F211 HydrophobicContact CD1-CE1 4.13Å; L79-F211 HydrophobicContact CD1-CE2 4.37Å; L79-F211 HydrophobicContact CD1-CZ 4.04Å; L79-I224 HydrophobicContact CD1-CD1 4.07Å; L79-I224 HydrophobicContact CD2-CD1 3.71Å; L79-I224 HydrophobicContact CG-CD1 4.49Å
80	F	98.5	Very high	95	Very high	12 Å²	12	63 Å²	63	5%	0.053	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	106.2	178.4	-70.4	-79.2	0	0	0	110.7	L59 I83 W197 F200 Y201 E204 V243	L59-F80 HydrophobicContact CD2-CD1 3.63Å; L59-F80 HydrophobicContact CD2-CE1 3.53Å; L59-F80 HydrophobicContact CD2-CG 4.4Å; L59-F80 HydrophobicContact CD2-CZ 4.21Å; F80-I83 HydrophobicContact CB-CG1 4.42Å; F80-I83 HydrophobicContact CD1-CD1 3.4Å; F80-I83 HydrophobicContact CD1-CG1 4.02Å; F80-I83 HydrophobicContact CE1-CD1 3.88Å; F80-I83 HydrophobicContact CG-CD1 4.26Å; F80-I83 HydrophobicContact CG-CG1 4.42Å; F80-W197 HydrophobicContact CE1-CE3 4.06Å; F80-W197 HydrophobicContact CZ-CB 3.93Å; F80-W197 HydrophobicContact CZ-CE3 4.2Å; F80-F200 HydrophobicContact CD2-CD1 4.12Å; F80-F200 HydrophobicContact CE2-CB 4.22Å; F80-F200 AromaticContact CE2-CD1 3.71Å; F80-F200 HydrophobicContact CE2-CD1 3.71Å; F80-F200 HydrophobicContact CE2-CG 4.31Å; F80-Y201 HydrophobicContact CB-CD2 3.59Å; F80-Y201 HydrophobicContact CB-CE2 4.22Å; F80-Y201 HydrophobicContact CD2-CD2 4.17Å; F80-Y201 HydrophobicContact CD2-CG 4.46Å; F80-Y201 AromaticContact CG-CD2 3.85Å; F80-Y201 HydrophobicContact CG-CD2 3.85Å; F80-Y201 HydrophobicContact CG-CG 4.4Å; F80-E204 WeakPolarHBondContact CD2-OE2 3.34Å; F80-E204 PolarHBondContact N-OE2 2.9Å; F80-E204 VanDerWaalsContact N-OE2 3.09Å; F80-V243 HydrophobicContact CE1-CG1 3.84Å; F80-V243 HydrophobicContact CZ-CG1 4.24Å; F80-V243 HydrophobicContact CZ-CG2 4.44Å
81	E	98	Very high	96.2	Very high	106 Å²	106	63.6 Å²	63.6	50%	0.495	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-35.3	174	-163.7	-167.7	145.8	0	0	111.2	R58 N60 L79	R58-E81 HydrophobicContact CB-CB 4.44Å; R58-E81 IonicContact CZ-OE1 2.65Å; R58-E81 IonicContact CZ-OE2 2.65Å; R58-E81 VanDerWaalsContact NH1-CD 3.31Å; R58-E81 IonicContact NH1-OE1 2.9Å; R58-E81 PolarHBondContact NH1-OE1 2.99Å; R58-E81 IonicContact NH1-OE2 3.95Å; R58-E81 PolarHBondContact NH1-OE2 3.43Å; R58-E81 IonicContact NH2-OE1 3Å; R58-E81 PolarHBondContact NH2-OE1 3.01Å; R58-E81 PolarHBondContact O-N 3.4Å; N60-E81 HydrophobicContact CB-CB 4.04Å; L79-E81 PolarHBondContact O-N 3.32Å
82	F	98.2	Very high	97.1	Very high	82 Å²	82	62.6 Å²	62.6	36%	0.36	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	136.7	-176	172.2	-101.2	0	0	0	110.6	Y57 R58 N84	Y57-F82 CarbonylContact C-O 3.43Å; Y57-F82 WeakPolarHBondContact CA-O 3.31Å; Y57-F82 WeakPolarHBondContact CB-O 3.39Å; R58-F82 HydrophobicContact CB-CB 4.23Å; R58-F82 PolarHBondContact N-O 3.01Å; R58-F82 PolarHBondContact O-N 3.08Å; F82-N84 HydrophobicContact CE1-CB 4.29Å; F82-N84 HydrophobicContact CZ-CB 4.13Å
83	I	98.3	Very high	97.6	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.062	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.9	163.5	-61	-60.6	0	0	0	107.9	D56 Y57 F80 E85 L88 W197 Y201	D56-I83 CarbonylContact O-C 3.38Å; Y57-I83 VanDerWaalsContact CB-CD1 3.4Å; Y57-I83 HydrophobicContact CG-CD1 4.45Å; F80-I83 HydrophobicContact CB-CG1 4.42Å; F80-I83 HydrophobicContact CD1-CD1 3.4Å; F80-I83 HydrophobicContact CD1-CG1 4.02Å; F80-I83 HydrophobicContact CE1-CD1 3.88Å; F80-I83 HydrophobicContact CG-CD1 4.26Å; F80-I83 HydrophobicContact CG-CG1 4.42Å; I83-E85 PolarHBondContact O-N 3Å; I83-L88 HydrophobicContact CG2-CD1 4.01Å; I83-L88 HydrophobicContact CG2-CD2 4.48Å; I83-L88 HydrophobicContact CG2-CG 4.19Å; I83-W197 HydrophobicContact CD1-CE3 4.35Å; I83-W197 HydrophobicContact CD1-CZ3 3.78Å; I83-W197 HydrophobicContact CG1-CZ3 4.48Å; I83-W197 HydrophobicContact CG2-CZ3 4.47Å; I83-Y201 HydrophobicContact CB-CD1 4.43Å; I83-Y201 HydrophobicContact CB-CD2 4.37Å; I83-Y201 HydrophobicContact CB-CE1 4.02Å; I83-Y201 HydrophobicContact CB-CE2 3.94Å; I83-Y201 HydrophobicContact CG1-CD1 3.98Å; I83-Y201 HydrophobicContact CG1-CD2 3.45Å; I83-Y201 VanDerWaalsContact CG1-CD2 3.45Å; I83-Y201 HydrophobicContact CG1-CE1 4.01Å; I83-Y201 HydrophobicContact CG1-CE2 3.46Å; I83-Y201 VanDerWaalsContact CG1-CE2 3.46Å; I83-Y201 HydrophobicContact CG1-CG 3.69Å; I83-Y201 HydrophobicContact CG2-CE1 4.25Å
84	N	98.3	Very high	97.9	Very high	54 Å²	54	56.3 Å²	56.3	29%	0.289	28%	0.278	S	S	.	.			trans	-71.2	92.6	167.8	-179.2	3.4	0	0	0	110.1	D56 F82 E86 I87	D56-N84 PolarHBondContact O-N 3.19Å; F82-N84 HydrophobicContact CE1-CB 4.29Å; F82-N84 HydrophobicContact CZ-CB 4.13Å; N84-E86 PolarHBondContact O-N 3.04Å; N84-E86 VanDerWaalsContact O-N 3.15Å; N84-E86 WeakPolarHBondContact OD1-CB 3.49Å; N84-E86 PolarHBondContact OD1-N 3.36Å; N84-I87 HydrophobicContact CB-CD1 4.03Å; N84-I87 HydrophobicContact CB-CG1 4.42Å; N84-I87 WeakPolarHBondContact O-CB 3.3Å; N84-I87 PolarHBondContact O-N 3.28Å
85	E	97.9	Very high	98	Very high	36 Å²	36	55.1 Å²	55.1	17%	0.168	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-15.9	-174.8	-58.6	-158.5	141.9	0	0	114.6	I83 I87 L88 R89 Y201 K205	I83-E85 PolarHBondContact O-N 3Å; E85-I87 PolarHBondContact O-N 3.12Å; E85-L88 WeakPolarHBondContact O-CB 3.34Å; E85-L88 PolarHBondContact O-N 2.84Å; E85-L88 VanDerWaalsContact O-N 3.12Å; E85-R89 WeakPolarHBondContact O-CG 3.48Å; E85-R89 PolarHBondContact O-N 3.37Å; E85-R89 VanDerWaalsContact O-N 3.11Å; E85-R89 IonicContact OE2-CZ 3.7Å; E85-R89 IonicContact OE2-NH2 3.84Å; E85-R89 PolarHBondContact OE2-NH2 2.94Å; E85-Y201 PolarHBondContact OE1-OH 3.47Å; E85-K205 WeakPolarHBondContact OE1-CE 3.37Å; E85-K205 IonicContact OE1-NZ 2.68Å; E85-K205 PolarHBondContact OE1-NZ 2.8Å; E85-K205 IonicContact OE2-NZ 3.52Å; E85-K205 PolarHBondContact OE2-NZ 2.82Å
86	E	98.1	Very high	98.1	Very high	76 Å²	76	57.8 Å²	57.8	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-61.1	-31.6	172.4	-70.6	-62.7	103	0	0	111.3	N84 R89 K90	N84-E86 PolarHBondContact O-N 3.04Å; N84-E86 VanDerWaalsContact O-N 3.15Å; N84-E86 WeakPolarHBondContact OD1-CB 3.49Å; N84-E86 PolarHBondContact OD1-N 3.36Å; E86-R89 PolarHBondContact O-N 3.3Å; E86-R89 IonicContact OE1-NH1 3.87Å; E86-R89 PolarHBondContact OE1-NH1 3.08Å; E86-K90 HydrophobicContact CB-CD 4.39Å; E86-K90 WeakPolarHBondContact O-CB 3.44Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 3.5Å; E86-K90 WeakPolarHBondContact OE2-CE 3.34Å; E86-K90 IonicContact OE2-NZ 2.74Å; E86-K90 PolarHBondContact OE2-NZ 3.43Å
87	I	98	Very high	98.3	Very high	14 Å²	14	52.5 Å²	52.5	7%	0.072	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-45.9	174.4	-67.9	172.3	0	0	0	110.7	V51 D56 N84 E85 R89 K90 R91 F94	V51-I87 HydrophobicContact CG1-CD1 3.92Å; V51-I87 HydrophobicContact CG1-CG2 3.73Å; D56-I87 HydrophobicContact CB-CD1 3.66Å; D56-I87 VanDerWaalsContact CG-CD1 3.43Å; D56-I87 WeakPolarHBondContact OD1-CD1 3.3Å; N84-I87 HydrophobicContact CB-CD1 4.03Å; N84-I87 HydrophobicContact CB-CG1 4.42Å; N84-I87 WeakPolarHBondContact O-CB 3.3Å; N84-I87 PolarHBondContact O-N 3.28Å; E85-I87 PolarHBondContact O-N 3.12Å; I87-R89 PolarHBondContact O-N 3.02Å; I87-K90 PolarHBondContact O-N 3.21Å; I87-R91 HydrophobicContact CG2-CG 4.03Å; I87-R91 WeakPolarHBondContact O-CB 3.02Å; I87-R91 PolarHBondContact O-N 3.36Å; I87-F94 HydrophobicContact CG2-CD1 4.48Å; I87-F94 HydrophobicContact CG2-CE1 4.37Å
88	L	98.1	Very high	98.3	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-28.8	179.4	-55.9	-173.3	0	0	0	112.4	I83 E85 F94 T95 I98 W197 I198 Y201	I83-L88 HydrophobicContact CG2-CD1 4.01Å; I83-L88 HydrophobicContact CG2-CD2 4.48Å; I83-L88 HydrophobicContact CG2-CG 4.19Å; E85-L88 WeakPolarHBondContact O-CB 3.34Å; E85-L88 PolarHBondContact O-N 2.84Å; E85-L88 VanDerWaalsContact O-N 3.12Å; L88-F94 HydrophobicContact CD2-CD1 3.64Å; L88-F94 HydrophobicContact CD2-CE1 4.12Å; L88-T95 PolarHBondContact O-OG1 3.44Å; L88-I98 HydrophobicContact CB-CD1 3.78Å; L88-I98 HydrophobicContact CD1-CD1 4.48Å; L88-I98 HydrophobicContact CD2-CD1 4.36Å; L88-I98 HydrophobicContact CG-CD1 4.43Å; L88-W197 HydrophobicContact CD2-CH2 4.21Å; L88-I198 HydrophobicContact CD2-CG2 4.37Å; L88-Y201 HydrophobicContact CD1-CD1 3.93Å; L88-Y201 HydrophobicContact CD1-CE1 3.71Å
89	R	97.6	Very high	98.3	Very high	136 Å²	136	46.9 Å²	46.9	51%	0.513	23%	0.225	S	C	.	.	H	α-helix	trans	-89.8	-29.9	-179.8	-65.5	179.2	-168.8	104.7	12.3	114	E85 E86 I87 T95	E85-R89 WeakPolarHBondContact O-CG 3.48Å; E85-R89 PolarHBondContact O-N 3.37Å; E85-R89 VanDerWaalsContact O-N 3.11Å; E85-R89 IonicContact OE2-CZ 3.7Å; E85-R89 IonicContact OE2-NH2 3.84Å; E85-R89 PolarHBondContact OE2-NH2 2.94Å; E86-R89 PolarHBondContact O-N 3.3Å; E86-R89 IonicContact OE1-NH1 3.87Å; E86-R89 PolarHBondContact OE1-NH1 3.08Å; I87-R89 PolarHBondContact O-N 3.02Å; R89-T95 VanDerWaalsContact C-OG1 3.27Å; R89-T95 PolarHBondContact O-OG1 3.02Å
90	K	97.9	Very high	98.3	Very high	146 Å²	146	46.9 Å²	46.9	64%	0.635	23%	0.225	S	C	*	.	H	α-helix	trans	-105.9	-27.7	-168.4	-69.4	175.3	166	162.1	0	114.5	E86 I87 P92	E86-K90 HydrophobicContact CB-CD 4.39Å; E86-K90 WeakPolarHBondContact O-CB 3.44Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 3.5Å; E86-K90 WeakPolarHBondContact OE2-CE 3.34Å; E86-K90 IonicContact OE2-NZ 2.74Å; E86-K90 PolarHBondContact OE2-NZ 3.43Å; I87-K90 PolarHBondContact O-N 3.21Å; K90-P92 WeakPolarHBondContact O-CD 3.3Å
91	R	98.4	Very high	98.2	Very high	50 Å²	50	47 Å²	47	19%	0.189	23%	0.226	C	C	.	.	S	Bend	trans	-78	120.2	177.7	-67.6	-168.5	-174	158	-0.8	109	N49 A50 V51 I87 T93 F94 T95	N49-R91 PolarHBondContact O-NH1 2.95Å; A50-R91 PolarHBondContact O-NH1 3.21Å; V51-R91 VanDerWaalsContact CG1-NH1 3.32Å; I87-R91 HydrophobicContact CG2-CG 4.03Å; I87-R91 WeakPolarHBondContact O-CB 3.02Å; I87-R91 PolarHBondContact O-N 3.36Å; R91-T93 VanDerWaalsContact C-N 3.35Å; R91-T93 PolarHBondContact O-N 3.08Å; R91-F94 HydrophobicContact CB-CB 4.13Å; R91-F94 HydrophobicContact CB-CD2 3.61Å; R91-F94 HydrophobicContact CB-CE2 4.39Å; R91-F94 HydrophobicContact CB-CG 4.12Å; R91-F94 HydrophobicContact CG-CD2 4.42Å; R91-F94 WeakPolarHBondContact O-CB 3.2Å; R91-F94 PolarHBondContact O-N 3.07Å; R91-T95 PolarHBondContact O-N 2.92Å; R91-T95 PolarHBondContact O-OG1 3.1Å
92	P	98.6	Very high	97.9	Very high	64 Å²	64	47.9 Å²	47.9	42%	0.416	23%	0.234	S	C	.	.	H	α-helix	trans	-55.8	-43.5	-171.2	-29.3	36	0	0	0	114.5	K90 F94 T95 K96 E128	K90-P92 WeakPolarHBondContact O-CD 3.3Å; P92-F94 VanDerWaalsContact C-N 3.33Å; P92-F94 PolarHBondContact O-N 2.91Å; P92-T95 PolarHBondContact O-N 3Å; P92-K96 WeakPolarHBondContact O-CG 3.39Å; P92-K96 PolarHBondContact O-N 3.43Å; P92-E128 HydrophobicContact CB-CB 4.42Å; P92-E128 HydrophobicContact CB-CG 3.89Å; P92-E128 WeakPolarHBondContact CB-OE2 3.35Å
93	T	98.7	Very high	97.6	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-37	178.7	52.1	0	0	0	0	112.4	R91 F97 E128 L129 T132 E248	R91-T93 VanDerWaalsContact C-N 3.35Å; R91-T93 PolarHBondContact O-N 3.08Å; T93-F97 WeakPolarHBondContact O-CB 3.44Å; T93-F97 PolarHBondContact O-N 2.86Å; T93-E128 HydrophobicContact CG2-CB 4.08Å; T93-L129 HydrophobicContact CG2-CD2 4.29Å; T93-T132 HydrophobicContact CG2-CG2 3.78Å; T93-E248 WeakPolarHBondContact CB-OE2 3.31Å; T93-E248 WeakPolarHBondContact CG2-OE2 3.47Å; T93-E248 PolarHBondContact OG1-OE1 2.9Å; T93-E248 PolarHBondContact OG1-OE2 2.9Å
94	F	98.8	Very high	97.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-49	174.9	-75.3	-109	0	0	0	111.4	N49 V51 I87 L88 R91 P92 K96 F97 I98 W197 I198 P247	N49-F94 HydrophobicContact CB-CE2 4.16Å; N49-F94 VanDerWaalsContact O-CE2 3.24Å; N49-F94 WeakPolarHBondContact O-CE2 3.4Å; N49-F94 WeakPolarHBondContact O-CZ 3.32Å; V51-F94 HydrophobicContact CG1-CZ 4.31Å; I87-F94 HydrophobicContact CG2-CD1 4.48Å; I87-F94 HydrophobicContact CG2-CE1 4.37Å; L88-F94 HydrophobicContact CD2-CD1 3.64Å; L88-F94 HydrophobicContact CD2-CE1 4.12Å; R91-F94 HydrophobicContact CB-CB 4.13Å; R91-F94 HydrophobicContact CB-CD2 3.61Å; R91-F94 HydrophobicContact CB-CE2 4.39Å; R91-F94 HydrophobicContact CB-CG 4.12Å; R91-F94 HydrophobicContact CG-CD2 4.42Å; R91-F94 WeakPolarHBondContact O-CB 3.2Å; R91-F94 PolarHBondContact O-N 3.07Å; P92-F94 VanDerWaalsContact C-N 3.33Å; P92-F94 PolarHBondContact O-N 2.91Å; F94-K96 VanDerWaalsContact C-N 3.33Å; F94-K96 PolarHBondContact O-N 3.48Å; F94-F97 PolarHBondContact O-N 2.85Å; F94-I98 WeakPolarHBondContact O-CB 3.45Å; F94-I98 VanDerWaalsContact O-CG1 3.24Å; F94-I98 WeakPolarHBondContact O-CG1 3.19Å; F94-I98 PolarHBondContact O-N 3.47Å; F94-W197 HydrophobicContact CE1-CH2 4.07Å; F94-W197 AromaticContact CE1-CZ2 3.71Å; F94-W197 HydrophobicContact CE1-CZ2 3.71Å; F94-W197 HydrophobicContact CZ-CZ2 4.31Å; F94-I198 HydrophobicContact CD1-CD1 3.65Å; F94-I198 HydrophobicContact CD1-CG1 4.43Å; F94-I198 HydrophobicContact CE1-CD1 3.62Å; F94-I198 HydrophobicContact CE1-CG1 4.24Å; F94-I198 HydrophobicContact CZ-CD1 4.49Å; F94-P247 HydrophobicContact CD2-CG 4.25Å; F94-P247 VanDerWaalsContact CE2-CD 3.41Å; F94-P247 HydrophobicContact CE2-CG 4.46Å; F94-P247 HydrophobicContact CG-CG 4.31Å
95	T	98.5	Very high	96.7	Very high	54 Å²	54	45.1 Å²	45.1	33%	0.331	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-45.2	-179.4	-54.4	0	0	0	0	111.2	L88 R89 R91 P92 A99	L88-T95 PolarHBondContact O-OG1 3.44Å; R89-T95 VanDerWaalsContact C-OG1 3.27Å; R89-T95 PolarHBondContact O-OG1 3.02Å; R91-T95 PolarHBondContact O-N 2.92Å; R91-T95 PolarHBondContact O-OG1 3.1Å; P92-T95 PolarHBondContact O-N 3Å; T95-A99 PolarHBondContact O-N 3.45Å
96	K	98.7	Very high	96.1	Very high	55 Å²	55	45 Å²	45	24%	0.239	22%	0.224	C	C	.	.	H	α-helix	trans	-71.9	-36	178.4	-62.2	-51.2	-176.5	178.3	0	112.8	P92 F94 A99 L100 E124 F125 E128	P92-K96 WeakPolarHBondContact O-CG 3.39Å; P92-K96 PolarHBondContact O-N 3.43Å; F94-K96 VanDerWaalsContact C-N 3.33Å; F94-K96 PolarHBondContact O-N 3.48Å; K96-A99 PolarHBondContact O-N 2.92Å; K96-L100 PolarHBondContact O-N 3.27Å; K96-E124 HydrophobicContact CD-CB 3.97Å; K96-E124 WeakPolarHBondContact CE-OE2 3.45Å; K96-E124 HydrophobicContact CG-CB 4.44Å; K96-E124 IonicContact NZ-OE1 2.65Å; K96-E124 IonicContact NZ-OE2 2.64Å; K96-E124 PolarHBondContact NZ-OE2 2.99Å; K96-F125 HydrophobicContact CB-CB 4Å; K96-F125 HydrophobicContact CB-CD2 3.95Å; K96-F125 HydrophobicContact CB-CG 4.48Å; K96-E128 HydrophobicContact CG-CB 4.5Å; K96-E128 HydrophobicContact CG-CG 3.72Å
97	F	98.8	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-47	172.8	178.2	-96.8	0	0	0	111.8	T93 F94 A99 L100 L101 F125 F178 F182 N196 I198 P247	T93-F97 WeakPolarHBondContact O-CB 3.44Å; T93-F97 PolarHBondContact O-N 2.86Å; F94-F97 PolarHBondContact O-N 2.85Å; F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 3.05Å; F97-L100 WeakPolarHBondContact O-CB 3.44Å; F97-L100 PolarHBondContact O-N 2.94Å; F97-L101 HydrophobicContact CD1-CD1 4.09Å; F97-L101 HydrophobicContact CD1-CD2 4.48Å; F97-L101 HydrophobicContact CD1-CG 4.45Å; F97-L101 HydrophobicContact CE1-CD1 3.83Å; F97-L101 HydrophobicContact CE1-CD2 3.88Å; F97-L101 HydrophobicContact CE1-CG 4.23Å; F97-L101 HydrophobicContact CZ-CD2 3.97Å; F97-F125 HydrophobicContact CB-CD2 4.16Å; F97-F125 HydrophobicContact CB-CE2 3.69Å; F97-F125 HydrophobicContact CB-CZ 4.31Å; F97-F125 HydrophobicContact CD2-CE2 4.14Å; F97-F125 AromaticContact CD2-CZ 3.89Å; F97-F125 HydrophobicContact CD2-CZ 3.89Å; F97-F125 HydrophobicContact CG-CE2 4.43Å; F97-F178 AromaticContact CD2-CE2 3.76Å; F97-F178 HydrophobicContact CD2-CE2 3.76Å; F97-F178 AromaticContact CD2-CZ 3.85Å; F97-F178 HydrophobicContact CD2-CZ 3.85Å; F97-F178 AromaticContact CE2-CE2 3.56Å; F97-F178 HydrophobicContact CE2-CE2 3.56Å; F97-F178 AromaticContact CE2-CZ 3.63Å; F97-F178 HydrophobicContact CE2-CZ 3.63Å; F97-F178 HydrophobicContact CZ-CZ 4.36Å; F97-F182 HydrophobicContact CE2-CB 3.97Å; F97-F182 AromaticContact CE2-CD1 3.75Å; F97-F182 HydrophobicContact CE2-CD1 3.75Å; F97-F182 HydrophobicContact CE2-CD2 4.33Å; F97-F182 HydrophobicContact CE2-CE1 4.35Å; F97-F182 AromaticContact CE2-CG 3.76Å; F97-F182 HydrophobicContact CE2-CG 3.76Å; F97-F182 HydrophobicContact CZ-CB 3.82Å; F97-F182 AromaticContact CZ-CD1 3.74Å; F97-F182 HydrophobicContact CZ-CD1 3.74Å; F97-F182 AromaticContact CZ-CG 3.94Å; F97-F182 HydrophobicContact CZ-CG 3.94Å; F97-N196 WeakPolarHBondContact CE1-OD1 3.3Å; F97-I198 HydrophobicContact CD1-CD1 4.06Å; F97-I198 HydrophobicContact CD1-CG2 4.36Å; F97-I198 HydrophobicContact CE1-CB 4.09Å; F97-I198 HydrophobicContact CE1-CD1 4.14Å; F97-I198 HydrophobicContact CE1-CG2 4.31Å; F97-P247 HydrophobicContact CB-CB 3.98Å; F97-P247 HydrophobicContact CB-CG 3.8Å; F97-P247 HydrophobicContact CD1-CG 4.3Å; F97-P247 HydrophobicContact CD2-CB 3.93Å; F97-P247 HydrophobicContact CD2-CG 4.34Å; F97-P247 HydrophobicContact CG-CB 3.99Å; F97-P247 HydrophobicContact CG-CG 3.91Å
98	I	98.5	Very high	94.9	Very high	44 Å²	44	46 Å²	46	23%	0.226	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-37.7	-178.9	-68.6	171.1	0	0	0	111.6	L88 F94 L100 L101 I198 L202	L88-I98 HydrophobicContact CB-CD1 3.78Å; L88-I98 HydrophobicContact CD1-CD1 4.48Å; L88-I98 HydrophobicContact CD2-CD1 4.36Å; L88-I98 HydrophobicContact CG-CD1 4.43Å; F94-I98 WeakPolarHBondContact O-CB 3.45Å; F94-I98 VanDerWaalsContact O-CG1 3.24Å; F94-I98 WeakPolarHBondContact O-CG1 3.19Å; F94-I98 PolarHBondContact O-N 3.47Å; I98-L100 PolarHBondContact O-N 3.22Å; I98-L101 HydrophobicContact CG1-CD1 4.39Å; I98-L101 PolarHBondContact O-N 3.39Å; I98-L101 VanDerWaalsContact O-N 3.09Å; I98-I198 HydrophobicContact CD1-CG2 4.07Å; I98-I198 HydrophobicContact CG1-CG2 3.89Å; I98-L202 HydrophobicContact CD1-CD1 4.35Å; I98-L202 HydrophobicContact CG1-CD1 4.03Å; I98-L202 HydrophobicContact CG2-CD1 3.97Å
99	A	97.8	Very high	94.1	Very high	32 Å²	32	46.7 Å²	46.7	26%	0.264	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.6	175.4	0	0	0	0	0	113.9	T95 K96 F97	T95-A99 PolarHBondContact O-N 3.45Å; K96-A99 PolarHBondContact O-N 2.92Å; F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 3.05Å
100	L	98	Very high	93.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-24.4	173.2	-66.7	166.3	0	0	0	112.4	K96 F97 I98 D102 N103 Y104 E121 E122 F125 F164 F178	K96-L100 PolarHBondContact O-N 3.27Å; F97-L100 WeakPolarHBondContact O-CB 3.44Å; F97-L100 PolarHBondContact O-N 2.94Å; I98-L100 PolarHBondContact O-N 3.22Å; L100-D102 VanDerWaalsContact C-N 3.26Å; L100-D102 PolarHBondContact O-N 2.75Å; L100-N103 WeakPolarHBondContact O-CB 3.5Å; L100-N103 PolarHBondContact O-N 3.08Å; L100-Y104 VanDerWaalsContact O-CD2 3.24Å; L100-Y104 WeakPolarHBondContact O-CD2 3.44Å; L100-Y104 WeakPolarHBondContact O-CE2 3.37Å; L100-E121 HydrophobicContact CD2-CB 3.84Å; L100-E122 HydrophobicContact CD2-CG 4.05Å; L100-F125 HydrophobicContact CD1-CB 3.72Å; L100-F125 HydrophobicContact CD1-CD1 3.6Å; L100-F125 HydrophobicContact CD1-CD2 4.38Å; L100-F125 HydrophobicContact CD1-CE1 4.25Å; L100-F125 HydrophobicContact CD1-CG 3.64Å; L100-F164 HydrophobicContact CD1-CE1 3.92Å; L100-F164 HydrophobicContact CD1-CZ 3.81Å; L100-F164 HydrophobicContact CD2-CE1 4.45Å; L100-F178 HydrophobicContact CB-CE1 3.78Å; L100-F178 HydrophobicContact CB-CZ 3.7Å; L100-F178 HydrophobicContact CD1-CE1 4.38Å; L100-F178 HydrophobicContact CD1-CE2 3.89Å; L100-F178 HydrophobicContact CD1-CZ 3.72Å; L100-F178 HydrophobicContact CG-CZ 4.38Å
101	L	96.9	Very high	92.5	Very high	14 Å²	14	39.3 Å²	39.3	7%	0.073	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.8	-162.5	-62.7	173	0	0	0	114.5	F97 I98 F178 V183 Q199 L202	F97-L101 HydrophobicContact CD1-CD1 4.09Å; F97-L101 HydrophobicContact CD1-CD2 4.48Å; F97-L101 HydrophobicContact CD1-CG 4.45Å; F97-L101 HydrophobicContact CE1-CD1 3.83Å; F97-L101 HydrophobicContact CE1-CD2 3.88Å; F97-L101 HydrophobicContact CE1-CG 4.23Å; F97-L101 HydrophobicContact CZ-CD2 3.97Å; I98-L101 HydrophobicContact CG1-CD1 4.39Å; I98-L101 PolarHBondContact O-N 3.39Å; I98-L101 VanDerWaalsContact O-N 3.09Å; L101-F178 HydrophobicContact CD2-CE1 4.21Å; L101-F178 HydrophobicContact CD2-CZ 4.22Å; L101-V183 HydrophobicContact CD2-CG2 4.04Å; L101-Q199 HydrophobicContact CD1-CB 4.18Å; L101-Q199 HydrophobicContact CD2-CB 4.33Å; L101-L202 HydrophobicContact CD1-CD1 3.8Å
102	D	92.3	Very high	91.8	Very high	125 Å²	125	38 Å²	38	67%	0.668	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	4.2	177.9	59.2	-16.8	0	0	0	114.3	L100 Y104	L100-D102 VanDerWaalsContact C-N 3.26Å; L100-D102 PolarHBondContact O-N 2.75Å; D102-Y104 VanDerWaalsContact C-N 3.34Å; D102-Y104 PolarHBondContact O-N 3.25Å
103	N	92.4	Very high	91	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.07	23%	0.232	C	C	.	.	S	Bend	trans	-82.9	-3.8	179.5	-70.2	-21.2	0	0	0	115.5	L100 H118 E121	L100-N103 WeakPolarHBondContact O-CB 3.5Å; L100-N103 PolarHBondContact O-N 3.08Å; N103-H118 PolarHBondContact OD1-CD2 2.74Å; N103-H118 PolarHBondContact OD1-NE2 2.67Å; N103-E121 PolarHBondContact ND2-OE2 3.16Å; N103-E121 PolarHBondContact OD1-OE2 2.97Å
104	Y	90.7	Very high	90.4	Very high	20 Å²	20	43.7 Å²	43.7	8%	0.078	24%	0.244	C	C	.	.	S	Bend	trans	-122.3	146.7	-165.4	-58.3	-89.5	0	0	0	112.1	L100 D102 F164 F178 E179 V183	L100-Y104 VanDerWaalsContact O-CD2 3.24Å; L100-Y104 WeakPolarHBondContact O-CD2 3.44Å; L100-Y104 WeakPolarHBondContact O-CE2 3.37Å; D102-Y104 VanDerWaalsContact C-N 3.34Å; D102-Y104 PolarHBondContact O-N 3.25Å; Y104-F164 WeakPolarHBondContact OH-CD1 3.4Å; Y104-F178 AromaticContact CE2-CD1 3.63Å; Y104-F178 HydrophobicContact CE2-CD1 3.63Å; Y104-F178 AromaticContact CE2-CE1 3.73Å; Y104-F178 HydrophobicContact CE2-CE1 3.73Å; Y104-F178 AromaticContact CZ-CD1 3.61Å; Y104-F178 WeakPolarHBondContact OH-CD1 3.45Å; Y104-E179 HydrophobicContact CD1-CB 3.67Å; Y104-E179 HydrophobicContact CD1-CG 3.74Å; Y104-E179 HydrophobicContact CE1-CB 3.93Å; Y104-E179 HydrophobicContact CE1-CG 4.49Å; Y104-E179 HydrophobicContact CG-CB 4.23Å; Y104-E179 HydrophobicContact CG-CG 4.01Å; Y104-V183 HydrophobicContact CD2-CG2 3.64Å; Y104-V183 HydrophobicContact CE2-CG2 4.01Å; Y104-V183 HydrophobicContact CG-CG2 4.2Å
105	N	85.6	Confident	90	Very high	56 Å²	56	46.4 Å²	46.4	30%	0.299	26%	0.261	S	S	.	.			trans	-93.3	114.3	168.9	-176.1	-15.7	0	0	0	110	Q107 V110 E112	N105-Q107 PolarHBondContact O-N 2.96Å; N105-Q107 WeakPolarHBondContact OD1-CB 3.43Å; N105-Q107 PolarHBondContact OD1-N 2.82Å; N105-V110 WeakPolarHBondContact ND2-CG1 3.13Å; N105-E112 WeakPolarHBondContact CB-OE1 3.15Å; N105-E112 PolarHBondContact N-OE1 3.49Å
106	P	86.7	Confident	89.7	Confident	33 Å²	33	50.4 Å²	50.4	21%	0.214	28%	0.276	C	S	.	.	S	Bend	trans	-64.1	-11.4	-177.1	28.9	-37.1	0	0	0	114	V108 E185 H186	P106-V108 PolarHBondContact O-N 3.02Å; P106-E185 CarbonylContact O-C 3.58Å; P106-E185 VanDerWaalsContact O-CA 3.24Å; P106-E185 WeakPolarHBondContact O-CA 3.4Å; P106-H186 PolarHBondContact O-CD2 3.27Å; P106-H186 PolarHBondContact O-N 3.28Å
107	Q	87.7	Confident	89.5	Confident	99 Å²	99	53.3 Å²	53.3	46%	0.463	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-83	107.9	178.5	-175.7	174.9	-14	0	0	112.3	N105 G109 V110	N105-Q107 PolarHBondContact O-N 2.96Å; N105-Q107 WeakPolarHBondContact OD1-CB 3.43Å; N105-Q107 PolarHBondContact OD1-N 2.82Å; Q107-G109 PolarHBondContact O-N 3.24Å; Q107-V110 HydrophobicContact CB-CG2 4.11Å; Q107-V110 HydrophobicContact CG-CG2 4.03Å; Q107-V110 PolarHBondContact O-N 3.37Å
108	V	82.4	Confident	89.3	Confident	13 Å²	13	54.5 Å²	54.5	8%	0.079	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	136.6	172.3	-173	0	0	0	0	110.4	P106 R169 R170 D174 E185 H186	P106-V108 PolarHBondContact O-N 3.02Å; V108-R169 HydrophobicContact CG1-CB 3.85Å; V108-R169 HydrophobicContact CG1-CG 3.9Å; V108-R170 HydrophobicContact CB-CG 4.49Å; V108-R170 HydrophobicContact CG1-CB 3.88Å; V108-R170 HydrophobicContact CG1-CG 3.54Å; V108-D174 WeakPolarHBondContact CG1-OD2 3.36Å; V108-E185 HydrophobicContact CG2-CB 3.75Å; V108-E185 HydrophobicContact CG2-CG 4.23Å; V108-H186 PolarHBondContact N-O 2.97Å; V108-H186 VanDerWaalsContact N-O 3.13Å
109	G	80.8	Confident	89.1	Confident	25 Å²	25	58 Å²	58	26%	0.258	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	-7.3	-177.5	0	0	0	0	0	114.1	Q107 S171 D174	Q107-G109 PolarHBondContact O-N 3.24Å; G109-S171 WeakPolarHBondContact CA-OG 3.48Å; G109-S171 WeakPolarHBondContact O-CB 3.27Å; G109-S171 PolarHBondContact O-OG 3.21Å; G109-D174 VanDerWaalsContact CA-OD2 3.28Å; G109-D174 WeakPolarHBondContact CA-OD2 3.44Å; G109-D174 PolarHBondContact N-OD2 3.15Å
110	V	80.9	Confident	89.1	Confident	53 Å²	53	63.5 Å²	63.5	32%	0.321	32%	0.321	S	S	.	.	S	Bend	trans	-92	123.7	167.5	-175.8	0	0	0	0	108.4	N105 Q107 D174	N105-V110 WeakPolarHBondContact ND2-CG1 3.13Å; Q107-V110 HydrophobicContact CB-CG2 4.11Å; Q107-V110 HydrophobicContact CG-CG2 4.03Å; Q107-V110 PolarHBondContact O-N 3.37Å; V110-D174 WeakPolarHBondContact O-CA 3.45Å; V110-D174 WeakPolarHBondContact O-CB 3.3Å
111	T	82.5	Confident	89.2	Confident	73 Å²	73	64.6 Å²	64.6	45%	0.448	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-69.9	132.6	176.2	-65.2	0	0	0	0	110.2	P172 K173	T111-P172 PolarHBondContact OG1-O 3.26Å; T111-K173 HydrophobicContact CG2-CB 4.38Å
112	E	82.2	Confident	89.2	Confident	24 Å²	24	64.1 Å²	64.1	11%	0.112	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-68.8	135.4	179.2	-72.5	-60.2	158	0	0	112.7	N105 V114 K173	N105-E112 WeakPolarHBondContact CB-OE1 3.15Å; N105-E112 PolarHBondContact N-OE1 3.49Å; E112-V114 HydrophobicContact CB-CG2 4.39Å; E112-K173 PolarHBondContact N-O 2.64Å; E112-K173 VanDerWaalsContact N-O 3.09Å
113	I	83	Confident	89.5	Confident	141 Å²	141	61.4 Å²	61.4	72%	0.723	31%	0.309	S	S	*	.			trans	-91.8	102.8	168.7	-58.9	177.4	0	0	0	107.6	H118	I113-H118 PolarHBondContact O-CE1 2.85Å
114	V	85.1	Confident	89.8	Confident	44 Å²	44	64.8 Å²	64.8	27%	0.267	32%	0.324	S	S	.	.			trans	-89.1	120.7	-178.4	-167.1	0	0	0	0	110.4	E112 H118 Y119	E112-V114 HydrophobicContact CB-CG2 4.39Å; V114-H118 HydrophobicContact CG1-CB 4.08Å; V114-Y119 HydrophobicContact CB-CE2 4.31Å; V114-Y119 HydrophobicContact CG1-CD2 3.88Å; V114-Y119 HydrophobicContact CG1-CE1 4.25Å; V114-Y119 HydrophobicContact CG1-CE2 3.46Å; V114-Y119 VanDerWaalsContact CG1-CE2 3.46Å; V114-Y119 HydrophobicContact CG1-CG 4.43Å
115	T	90.6	Very high	90.2	Very high	56 Å²	56	63.8 Å²	63.8	34%	0.344	32%	0.32	S	S	.	.			trans	-96.2	165.6	177.4	69.4	0	0	0	0	111.1	Q117 H118 Y119	T115-Q117 PolarHBondContact O-N 3.34Å; T115-Q117 PolarHBondContact OG1-N 3.39Å; T115-H118 PolarHBondContact O-N 3.1Å; T115-H118 PolarHBondContact OG1-CD2 3.18Å; T115-H118 PolarHBondContact OG1-N 3.24Å; T115-H118 PolarHBondContact OG1-NE2 3.08Å; T115-Y119 WeakPolarHBondContact O-CD2 3.36Å; T115-Y119 PolarHBondContact O-N 3.43Å
116	E	92.5	Very high	90.8	Very high	139 Å²	139	61.4 Å²	61.4	65%	0.65	31%	0.308	S	S	*	.	H	α-helix	trans	-59.6	-30.9	169.6	-69.3	-173.8	-171.8	0	0	112.3	Y119 R120	E116-Y119 PolarHBondContact O-N 3.15Å; E116-R120 VanDerWaalsContact O-CG 3.31Å; E116-R120 WeakPolarHBondContact O-CG 3.4Å; E116-R120 PolarHBondContact O-N 2.89Å; E116-R120 VanDerWaalsContact O-N 3.13Å; E116-R120 IonicContact OE2-CZ 3.98Å; E116-R120 IonicContact OE2-NH2 2.9Å; E116-R120 PolarHBondContact OE2-NH2 3.04Å
117	Q	94.8	Very high	91.4	Very high	116 Å²	116	64.1 Å²	64.1	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-45.5	176.8	178.2	178.8	-16.3	0	0	111	T115 Y119 R120 E121	T115-Q117 PolarHBondContact O-N 3.34Å; T115-Q117 PolarHBondContact OG1-N 3.39Å; Q117-Y119 VanDerWaalsContact C-N 3.3Å; Q117-Y119 PolarHBondContact O-N 2.72Å; Q117-R120 WeakPolarHBondContact O-CB 3.44Å; Q117-R120 PolarHBondContact O-N 3.36Å; Q117-E121 HydrophobicContact CG-CG 4.49Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.01Å; Q117-E121 PolarHBondContact NE2-OE1 2.9Å; Q117-E121 PolarHBondContact O-N 3.38Å
118	H	94.2	Very high	91.9	Very high	24 Å²	24	61.1 Å²	61.1	11%	0.111	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-44.3	178.8	-58.3	175.3	0	0	0	110.9	N103 I113 V114 T115 R120 E121 E122	N103-H118 PolarHBondContact OD1-CD2 2.74Å; N103-H118 PolarHBondContact OD1-NE2 2.67Å; I113-H118 PolarHBondContact O-CE1 2.85Å; V114-H118 HydrophobicContact CG1-CB 4.08Å; T115-H118 PolarHBondContact O-N 3.1Å; T115-H118 PolarHBondContact OG1-CD2 3.18Å; T115-H118 PolarHBondContact OG1-N 3.24Å; T115-H118 PolarHBondContact OG1-NE2 3.08Å; H118-R120 VanDerWaalsContact C-N 3.31Å; H118-R120 PolarHBondContact O-N 3.35Å; H118-E121 PolarHBondContact O-N 3.1Å; H118-E122 VanDerWaalsContact O-CG 3.26Å; H118-E122 WeakPolarHBondContact O-CG 3.29Å; H118-E122 PolarHBondContact O-N 2.89Å
119	Y	94.9	Very high	92.7	Very high	117 Å²	117	60.5 Å²	60.5	46%	0.459	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-36.9	176.9	-77	-61.1	0	0	0	113.1	V114 T115 E116 Q117 E122 D123	V114-Y119 HydrophobicContact CB-CE2 4.31Å; V114-Y119 HydrophobicContact CG1-CD2 3.88Å; V114-Y119 HydrophobicContact CG1-CE1 4.25Å; V114-Y119 HydrophobicContact CG1-CE2 3.46Å; V114-Y119 VanDerWaalsContact CG1-CE2 3.46Å; V114-Y119 HydrophobicContact CG1-CG 4.43Å; T115-Y119 WeakPolarHBondContact O-CD2 3.36Å; T115-Y119 PolarHBondContact O-N 3.43Å; E116-Y119 PolarHBondContact O-N 3.15Å; Q117-Y119 VanDerWaalsContact C-N 3.3Å; Q117-Y119 PolarHBondContact O-N 2.72Å; Y119-E122 WeakPolarHBondContact CD1-OE2 3.25Å; Y119-D123 PolarHBondContact O-N 3.11Å
120	R	97.7	Very high	93.6	Very high	149 Å²	149	60.6 Å²	60.6	56%	0.562	30%	0.297	S	S	*	.	H	α-helix	trans	-67.2	-43.3	176.5	-70	173.6	-159.1	178	7.7	111.4	E116 Q117 H118 D123 E124	E116-R120 VanDerWaalsContact O-CG 3.31Å; E116-R120 WeakPolarHBondContact O-CG 3.4Å; E116-R120 PolarHBondContact O-N 2.89Å; E116-R120 VanDerWaalsContact O-N 3.13Å; E116-R120 IonicContact OE2-CZ 3.98Å; E116-R120 IonicContact OE2-NH2 2.9Å; E116-R120 PolarHBondContact OE2-NH2 3.04Å; Q117-R120 WeakPolarHBondContact O-CB 3.44Å; Q117-R120 PolarHBondContact O-N 3.36Å; H118-R120 VanDerWaalsContact C-N 3.31Å; H118-R120 PolarHBondContact O-N 3.35Å; R120-D123 PolarHBondContact O-N 3.38Å; R120-E124 WeakPolarHBondContact O-CB 3.4Å; R120-E124 VanDerWaalsContact O-CG 3.27Å; R120-E124 WeakPolarHBondContact O-CG 3.36Å; R120-E124 PolarHBondContact O-N 3.42Å
121	E	98.3	Very high	94.4	Very high	23 Å²	23	63.9 Å²	63.9	11%	0.107	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-39.4	177.6	-71.9	160.8	173.7	0	0	111.7	L100 N103 Q117 H118 E124 F125	L100-E121 HydrophobicContact CD2-CB 3.84Å; N103-E121 PolarHBondContact ND2-OE2 3.16Å; N103-E121 PolarHBondContact OD1-OE2 2.97Å; Q117-E121 HydrophobicContact CG-CG 4.49Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.01Å; Q117-E121 PolarHBondContact NE2-OE1 2.9Å; Q117-E121 PolarHBondContact O-N 3.38Å; H118-E121 PolarHBondContact O-N 3.1Å; E121-E124 PolarHBondContact O-N 3.45Å; E121-F125 WeakPolarHBondContact O-CB 3.34Å; E121-F125 PolarHBondContact O-N 3.11Å
122	E	98.3	Very high	95.2	Very high	3 Å²	3	61.2 Å²	61.2	1%	0.014	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-48	171.7	-70.7	169.2	-172.6	0	0	110.7	L100 H118 Y119 F125 I126 K160 F164 R166	L100-E122 HydrophobicContact CD2-CG 4.05Å; H118-E122 VanDerWaalsContact O-CG 3.26Å; H118-E122 WeakPolarHBondContact O-CG 3.29Å; H118-E122 PolarHBondContact O-N 2.89Å; Y119-E122 WeakPolarHBondContact CD1-OE2 3.25Å; E122-F125 PolarHBondContact O-N 2.87Å; E122-I126 WeakPolarHBondContact O-CG1 3.42Å; E122-I126 PolarHBondContact O-N 3.27Å; E122-K160 VanDerWaalsContact OE2-CE 3.29Å; E122-K160 WeakPolarHBondContact OE2-CE 3.11Å; E122-F164 HydrophobicContact CB-CD2 4.13Å; E122-F164 HydrophobicContact CB-CE2 4.38Å; E122-F164 HydrophobicContact CB-CG 4.34Å; E122-F164 HydrophobicContact CG-CB 4.13Å; E122-F164 HydrophobicContact CG-CD1 3.88Å; E122-F164 HydrophobicContact CG-CD2 4.05Å; E122-F164 HydrophobicContact CG-CE1 4.28Å; E122-F164 HydrophobicContact CG-CE2 4.47Å; E122-F164 HydrophobicContact CG-CG 3.75Å; E122-R166 IonicContact OE1-CZ 3.15Å; E122-R166 IonicContact OE1-NH1 3.33Å; E122-R166 PolarHBondContact OE1-NH1 3.44Å; E122-R166 IonicContact OE1-NH2 2.8Å; E122-R166 PolarHBondContact OE1-NH2 3.02Å
123	D	98.3	Very high	96	Very high	69 Å²	69	66.5 Å²	66.5	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-64.4	-43.1	178.2	-76.2	-33.6	0	0	0	112.6	Y119 R120 I126 N127 K160	Y119-D123 PolarHBondContact O-N 3.11Å; R120-D123 PolarHBondContact O-N 3.38Å; D123-I126 PolarHBondContact O-N 3.47Å; D123-N127 VanDerWaalsContact O-CB 3.31Å; D123-N127 WeakPolarHBondContact O-CB 3.27Å; D123-N127 PolarHBondContact O-N 3.09Å; D123-N127 PolarHBondContact O-ND2 2.98Å; D123-K160 WeakPolarHBondContact OD1-CE 3.27Å; D123-K160 IonicContact OD1-NZ 3.82Å; D123-K160 PolarHBondContact OD1-NZ 2.92Å; D123-K160 IonicContact OD2-NZ 2.67Å; D123-K160 PolarHBondContact OD2-NZ 2.93Å; D123-K160 VanDerWaalsContact OD2-NZ 3.13Å
124	E	98.6	Very high	96.7	Very high	83 Å²	83	59.9 Å²	59.9	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-42.7	177.3	-74.3	-179.8	170.5	0	0	111.8	K96 R120 E121 N127 E128	K96-E124 HydrophobicContact CD-CB 3.97Å; K96-E124 WeakPolarHBondContact CE-OE2 3.45Å; K96-E124 HydrophobicContact CG-CB 4.44Å; K96-E124 IonicContact NZ-OE1 2.65Å; K96-E124 IonicContact NZ-OE2 2.64Å; K96-E124 PolarHBondContact NZ-OE2 2.99Å; R120-E124 WeakPolarHBondContact O-CB 3.4Å; R120-E124 VanDerWaalsContact O-CG 3.27Å; R120-E124 WeakPolarHBondContact O-CG 3.36Å; R120-E124 PolarHBondContact O-N 3.42Å; E121-E124 PolarHBondContact O-N 3.45Å; E124-N127 PolarHBondContact O-N 2.05Å; E124-E128 PolarHBondContact O-N 3.26Å
125	F	98.8	Very high	97.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-48.4	176.4	178.8	-116.8	0	0	0	111.8	K96 F97 L100 E121 E122 N127 E128 L129 F164 F178 P247 I251	K96-F125 HydrophobicContact CB-CB 4Å; K96-F125 HydrophobicContact CB-CD2 3.95Å; K96-F125 HydrophobicContact CB-CG 4.48Å; F97-F125 HydrophobicContact CB-CD2 4.16Å; F97-F125 HydrophobicContact CB-CE2 3.69Å; F97-F125 HydrophobicContact CB-CZ 4.31Å; F97-F125 HydrophobicContact CD2-CE2 4.14Å; F97-F125 AromaticContact CD2-CZ 3.89Å; F97-F125 HydrophobicContact CD2-CZ 3.89Å; F97-F125 HydrophobicContact CG-CE2 4.43Å; L100-F125 HydrophobicContact CD1-CB 3.72Å; L100-F125 HydrophobicContact CD1-CD1 3.6Å; L100-F125 HydrophobicContact CD1-CD2 4.38Å; L100-F125 HydrophobicContact CD1-CE1 4.25Å; L100-F125 HydrophobicContact CD1-CG 3.64Å; E121-F125 WeakPolarHBondContact O-CB 3.34Å; E121-F125 PolarHBondContact O-N 3.11Å; E122-F125 PolarHBondContact O-N 2.87Å; F125-N127 VanDerWaalsContact C-N 3.27Å; F125-N127 PolarHBondContact O-N 3.36Å; F125-E128 PolarHBondContact O-N 3.13Å; F125-E128 VanDerWaalsContact O-N 3.15Å; F125-L129 HydrophobicContact CD1-CD1 3.99Å; F125-L129 HydrophobicContact CD1-CG 4.36Å; F125-L129 HydrophobicContact CD2-CG 4.4Å; F125-L129 HydrophobicContact CE1-CD1 3.55Å; F125-L129 HydrophobicContact CE1-CD2 4.4Å; F125-L129 HydrophobicContact CE1-CG 4.06Å; F125-L129 HydrophobicContact CE2-CD1 4.43Å; F125-L129 HydrophobicContact CE2-CD2 3.91Å; F125-L129 HydrophobicContact CE2-CG 4.05Å; F125-L129 HydrophobicContact CZ-CD1 3.8Å; F125-L129 HydrophobicContact CZ-CD2 3.77Å; F125-L129 HydrophobicContact CZ-CG 3.89Å; F125-L129 WeakPolarHBondContact O-CG 3.4Å; F125-L129 PolarHBondContact O-N 2.88Å; F125-F164 HydrophobicContact CD1-CE2 4.27Å; F125-F164 AromaticContact CD1-CZ 3.75Å; F125-F164 HydrophobicContact CD1-CZ 3.75Å; F125-F164 HydrophobicContact CE1-CZ 4.2Å; F125-F178 HydrophobicContact CE1-CE2 4.34Å; F125-P247 HydrophobicContact CE2-CB 4.02Å; F125-P247 HydrophobicContact CZ-CB 4.1Å; F125-I251 HydrophobicContact CE1-CD1 4.33Å; F125-I251 HydrophobicContact CE1-CG1 4.29Å; F125-I251 HydrophobicContact CZ-CG1 4.16Å
126	I	98.8	Very high	97.8	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-56.1	-44.5	174.9	-68.3	-59.2	0	0	0	110.8	E122 D123 E128 L129 L130 L159 K160 F164	E122-I126 WeakPolarHBondContact O-CG1 3.42Å; E122-I126 PolarHBondContact O-N 3.27Å; D123-I126 PolarHBondContact O-N 3.47Å; I126-E128 VanDerWaalsContact C-N 3.34Å; I126-E128 PolarHBondContact O-N 2.82Å; I126-L129 HydrophobicContact CD1-CD1 4.2Å; I126-L129 WeakPolarHBondContact O-CB 3.32Å; I126-L129 PolarHBondContact O-N 2.97Å; I126-L130 HydrophobicContact CG2-CD1 4.15Å; I126-L130 HydrophobicContact CG2-CG 4.33Å; I126-L130 WeakPolarHBondContact O-CG 3.49Å; I126-L130 PolarHBondContact O-N 3.4Å; I126-L159 HydrophobicContact CD1-CB 3.67Å; I126-K160 HydrophobicContact CG1-CB 4.25Å; I126-F164 HydrophobicContact CD1-CE2 3.87Å; I126-F164 HydrophobicContact CG1-CE2 4.04Å
127	N	98.7	Very high	98.1	Very high	89 Å²	89	55.4 Å²	55.4	48%	0.476	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-38.3	178.8	-73.8	-32.8	0	0	0	112.9	D123 E124 F125 K131	D123-N127 VanDerWaalsContact O-CB 3.31Å; D123-N127 WeakPolarHBondContact O-CB 3.27Å; D123-N127 PolarHBondContact O-N 3.09Å; D123-N127 PolarHBondContact O-ND2 2.98Å; E124-N127 PolarHBondContact O-N 2.05Å; F125-N127 VanDerWaalsContact C-N 3.27Å; F125-N127 PolarHBondContact O-N 3.36Å; N127-K131 WeakPolarHBondContact O-CE 2.95Å; N127-K131 WeakPolarHBondContact O-CG 3.17Å
128	E	98.8	Very high	98.3	Very high	36 Å²	36	49.9 Å²	49.9	17%	0.168	23%	0.225	C	C	.	.	H	α-helix	trans	-69.4	-39.2	173.7	-68.4	-50.9	140.6	0	0	112.1	P92 T93 K96 E124 F125 I126 L130 K131	P92-E128 HydrophobicContact CB-CB 4.42Å; P92-E128 HydrophobicContact CB-CG 3.89Å; P92-E128 WeakPolarHBondContact CB-OE2 3.35Å; T93-E128 HydrophobicContact CG2-CB 4.08Å; K96-E128 HydrophobicContact CG-CB 4.5Å; K96-E128 HydrophobicContact CG-CG 3.72Å; E124-E128 PolarHBondContact O-N 3.26Å; F125-E128 PolarHBondContact O-N 3.13Å; F125-E128 VanDerWaalsContact O-N 3.15Å; I126-E128 VanDerWaalsContact C-N 3.34Å; I126-E128 PolarHBondContact O-N 2.82Å; E128-L130 PolarHBondContact O-N 2.96Å; E128-K131 VanDerWaalsContact CD-NZ 3.28Å; E128-K131 WeakPolarHBondContact O-CB 3.38Å; E128-K131 PolarHBondContact O-N 2.98Å; E128-K131 IonicContact OE1-NZ 3.17Å; E128-K131 PolarHBondContact OE1-NZ 3.45Å; E128-K131 WeakPolarHBondContact OE2-CD 3.48Å; E128-K131 IonicContact OE2-NZ 2.74Å; E128-K131 PolarHBondContact OE2-NZ 2.61Å
129	L	98.9	Very high	98.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-50.4	175.3	-71.2	-178.4	0	0	0	111.3	T93 F125 I126 K131 T132 M135 E248 I251	T93-L129 HydrophobicContact CG2-CD2 4.29Å; F125-L129 HydrophobicContact CD1-CD1 3.99Å; F125-L129 HydrophobicContact CD1-CG 4.36Å; F125-L129 HydrophobicContact CD2-CG 4.4Å; F125-L129 HydrophobicContact CE1-CD1 3.55Å; F125-L129 HydrophobicContact CE1-CD2 4.4Å; F125-L129 HydrophobicContact CE1-CG 4.06Å; F125-L129 HydrophobicContact CE2-CD1 4.43Å; F125-L129 HydrophobicContact CE2-CD2 3.91Å; F125-L129 HydrophobicContact CE2-CG 4.05Å; F125-L129 HydrophobicContact CZ-CD1 3.8Å; F125-L129 HydrophobicContact CZ-CD2 3.77Å; F125-L129 HydrophobicContact CZ-CG 3.89Å; F125-L129 WeakPolarHBondContact O-CG 3.4Å; F125-L129 PolarHBondContact O-N 2.88Å; I126-L129 HydrophobicContact CD1-CD1 4.2Å; I126-L129 WeakPolarHBondContact O-CB 3.32Å; I126-L129 PolarHBondContact O-N 2.97Å; L129-K131 PolarHBondContact O-N 3.38Å; L129-K131 VanDerWaalsContact O-N 3.1Å; L129-T132 WeakPolarHBondContact O-CB 3.25Å; L129-T132 WeakPolarHBondContact O-CG2 3.22Å; L129-T132 PolarHBondContact O-N 2.65Å; L129-T132 PolarHBondContact O-OG1 3.4Å; L129-M135 HydrophobicContact CB-CE 4.28Å; L129-M135 HydrophobicContact CB-CG 4.24Å; L129-M135 HydrophobicContact CD1-CE 4.31Å; L129-M135 HydrophobicContact CD2-CE 4.27Å; L129-M135 WeakPolarHBondContact O-CB 3.1Å; L129-E248 HydrophobicContact CD2-CB 3.52Å; L129-I251 HydrophobicContact CD1-CB 4.45Å; L129-I251 HydrophobicContact CD1-CG1 4.33Å; L129-I251 HydrophobicContact CD1-CG2 3.96Å
130	L	98.8	Very high	98.7	Very high	26 Å²	26	49.7 Å²	49.7	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-19.4	-176.9	-64.7	179.5	0	0	0	113.8	I126 E128 M135 K136 I152 F155 L159	I126-L130 HydrophobicContact CG2-CD1 4.15Å; I126-L130 HydrophobicContact CG2-CG 4.33Å; I126-L130 WeakPolarHBondContact O-CG 3.49Å; I126-L130 PolarHBondContact O-N 3.4Å; E128-L130 PolarHBondContact O-N 2.96Å; L130-M135 HydrophobicContact CD2-CG 4.1Å; L130-K136 WeakPolarHBondContact O-CE 3.24Å; L130-I152 HydrophobicContact CD2-CD1 4.01Å; L130-I152 HydrophobicContact CD2-CG1 4.07Å; L130-F155 HydrophobicContact CD2-CD1 3.75Å; L130-F155 HydrophobicContact CD2-CE1 4.29Å; L130-L159 HydrophobicContact CD2-CD1 4.21Å
131	K	98.7	Very high	98.7	Very high	122 Å²	122	43.4 Å²	43.4	53%	0.53	21%	0.206	S	C	.	.	H	α-helix	trans	-74.7	-27.6	175.5	-66.8	169.4	-165.8	176.2	0	112.4	N127 E128 L129 K136	N127-K131 WeakPolarHBondContact O-CE 2.95Å; N127-K131 WeakPolarHBondContact O-CG 3.17Å; E128-K131 VanDerWaalsContact CD-NZ 3.28Å; E128-K131 WeakPolarHBondContact O-CB 3.38Å; E128-K131 PolarHBondContact O-N 2.98Å; E128-K131 IonicContact OE1-NZ 3.17Å; E128-K131 PolarHBondContact OE1-NZ 3.45Å; E128-K131 WeakPolarHBondContact OE2-CD 3.48Å; E128-K131 IonicContact OE2-NZ 2.74Å; E128-K131 PolarHBondContact OE2-NZ 2.61Å; L129-K131 PolarHBondContact O-N 3.38Å; L129-K131 VanDerWaalsContact O-N 3.1Å; K131-K136 PolarHBondContact O-NZ 3.02Å
132	T	98.8	Very high	98.8	Very high	17 Å²	17	42.3 Å²	42.3	10%	0.104	20%	0.201	C	C	.	.	S	Bend	trans	-70.5	152.3	-173.4	71.5	0	0	0	0	112.7	T93 L129 V134 M135 K136 E248	T93-T132 HydrophobicContact CG2-CG2 3.78Å; L129-T132 WeakPolarHBondContact O-CB 3.25Å; L129-T132 WeakPolarHBondContact O-CG2 3.22Å; L129-T132 PolarHBondContact O-N 2.65Å; L129-T132 PolarHBondContact O-OG1 3.4Å; T132-V134 VanDerWaalsContact C-N 3.35Å; T132-M135 VanDerWaalsContact OG1-CB 3.25Å; T132-M135 WeakPolarHBondContact OG1-CB 3.27Å; T132-M135 PolarHBondContact OG1-N 3Å; T132-M135 VanDerWaalsContact OG1-N 3.08Å; T132-K136 WeakPolarHBondContact O-CG 3.49Å; T132-K136 PolarHBondContact O-N 2.73Å; T132-E248 HydrophobicContact CG2-CB 4.14Å; T132-E248 HydrophobicContact CG2-CG 3.89Å
133	K	98.8	Very high	98.8	Very high	135 Å²	135	44.9 Å²	44.9	59%	0.587	22%	0.215	S	C	*	.	H	α-helix	trans	-64.9	-41.4	173.4	-176.2	179.6	174.8	-173.1	0	111.3	A46 M135 K136 M137	A46-K133 HydrophobicContact CB-CD 4.08Å; A46-K133 HydrophobicContact CB-CG 4.32Å; K133-M135 VanDerWaalsContact C-N 3.32Å; K133-M135 PolarHBondContact O-N 3.1Å; K133-K136 PolarHBondContact O-N 3.31Å; K133-M137 HydrophobicContact CD-SD 4.44Å; K133-M137 HydrophobicContact CG-CG 4.42Å; K133-M137 HydrophobicContact CG-SD 3.95Å; K133-M137 WeakPolarHBondContact O-CG 3.15Å; K133-M137 PolarHBondContact O-N 2.97Å
134	V	98.9	Very high	98.8	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-53.6	-48.4	177.2	172.4	0	0	0	0	110.9	L43 A46 D47 T132 M137 T138 E248 A252	L43-V134 HydrophobicContact CD2-CG1 4.15Å; A46-V134 HydrophobicContact CB-CG2 4.26Å; D47-V134 HydrophobicContact CB-CG2 4.23Å; T132-V134 VanDerWaalsContact C-N 3.35Å; V134-M137 PolarHBondContact O-N 2.86Å; V134-T138 PolarHBondContact O-N 3.08Å; V134-T138 PolarHBondContact O-OG1 2.65Å; V134-E248 HydrophobicContact CB-CG 4.13Å; V134-E248 HydrophobicContact CG1-CB 4.47Å; V134-E248 HydrophobicContact CG1-CG 4.35Å; V134-E248 WeakPolarHBondContact CG1-O 3.25Å; V134-E248 HydrophobicContact CG2-CG 4.39Å; V134-A252 HydrophobicContact CG1-CB 3.62Å
135	M	98.9	Very high	98.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-73.7	-31.9	-177.7	-159.5	52.7	59	0	0	113.4	L129 L130 T132 K133 T138 Y139 F155 L159 E248 I251 A252	L129-M135 HydrophobicContact CB-CE 4.28Å; L129-M135 HydrophobicContact CB-CG 4.24Å; L129-M135 HydrophobicContact CD1-CE 4.31Å; L129-M135 HydrophobicContact CD2-CE 4.27Å; L129-M135 WeakPolarHBondContact O-CB 3.1Å; L130-M135 HydrophobicContact CD2-CG 4.1Å; T132-M135 VanDerWaalsContact OG1-CB 3.25Å; T132-M135 WeakPolarHBondContact OG1-CB 3.27Å; T132-M135 PolarHBondContact OG1-N 3Å; T132-M135 VanDerWaalsContact OG1-N 3.08Å; K133-M135 VanDerWaalsContact C-N 3.32Å; K133-M135 PolarHBondContact O-N 3.1Å; M135-T138 WeakPolarHBondContact O-CB 3.4Å; M135-T138 PolarHBondContact O-N 3.39Å; M135-T138 HydrophobicContact SD-CG2 4.21Å; M135-Y139 PolarHBondContact O-N 3.09Å; M135-F155 HydrophobicContact CG-CE1 3.86Å; M135-F155 HydrophobicContact SD-CE1 3.65Å; M135-F155 HydrophobicContact SD-CZ 3.94Å; M135-L159 HydrophobicContact CG-CD1 4.16Å; M135-L159 HydrophobicContact SD-CD1 3.67Å; M135-L159 HydrophobicContact SD-CD2 4.48Å; M135-E248 HydrophobicContact CE-CB 4.5Å; M135-I251 HydrophobicContact CE-CB 4.23Å; M135-I251 HydrophobicContact CE-CG2 3.73Å; M135-A252 HydrophobicContact CE-CB 4.19Å
136	K	98.8	Very high	98.7	Very high	101 Å²	101	57.9 Å²	57.9	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-44.3	171.7	-70.2	166.1	-178.3	161.8	0	111.6	L130 K131 T132 K133 T138 Y139 D140	L130-K136 WeakPolarHBondContact O-CE 3.24Å; K131-K136 PolarHBondContact O-NZ 3.02Å; T132-K136 WeakPolarHBondContact O-CG 3.49Å; T132-K136 PolarHBondContact O-N 2.73Å; K133-K136 PolarHBondContact O-N 3.31Å; K136-T138 VanDerWaalsContact C-N 3.28Å; K136-T138 PolarHBondContact O-N 2.92Å; K136-Y139 WeakPolarHBondContact O-CB 3.15Å; K136-Y139 PolarHBondContact O-N 3.49Å; K136-D140 PolarHBondContact O-N 3.16Å
137	M	98.9	Very high	98.6	Very high	44 Å²	44	62.3 Å²	62.3	22%	0.217	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-39	174.1	-68.6	170.1	64.3	0	0	111.8	F39 D42 L43 A46 K133 V134 Y141	F39-M137 HydrophobicContact CE2-CB 4.47Å; D42-M137 HydrophobicContact CB-CE 3.75Å; L43-M137 HydrophobicContact CD2-CB 3.82Å; L43-M137 HydrophobicContact CD2-CE 4.17Å; L43-M137 HydrophobicContact CD2-SD 4.47Å; A46-M137 HydrophobicContact CB-CE 4.32Å; A46-M137 HydrophobicContact CB-SD 3.58Å; A46-M137 VanDerWaalsContact CB-SD 3.58Å; K133-M137 HydrophobicContact CD-SD 4.44Å; K133-M137 HydrophobicContact CG-CG 4.42Å; K133-M137 HydrophobicContact CG-SD 3.95Å; K133-M137 WeakPolarHBondContact O-CG 3.15Å; K133-M137 PolarHBondContact O-N 2.97Å; V134-M137 PolarHBondContact O-N 2.86Å; M137-Y141 VanDerWaalsContact O-CB 3.31Å; M137-Y141 WeakPolarHBondContact O-CB 3.21Å; M137-Y141 PolarHBondContact O-N 3.49Å
138	T	98.9	Very high	98.6	Very high	0 Å²	0	59 Å²	59	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-46.1	176.1	-56	0	0	0	0	111.7	V134 M135 K136 Y141 L142 F155 A252 V256	V134-T138 PolarHBondContact O-N 3.08Å; V134-T138 PolarHBondContact O-OG1 2.65Å; M135-T138 WeakPolarHBondContact O-CB 3.4Å; M135-T138 PolarHBondContact O-N 3.39Å; M135-T138 HydrophobicContact SD-CG2 4.21Å; K136-T138 VanDerWaalsContact C-N 3.28Å; K136-T138 PolarHBondContact O-N 2.92Å; T138-Y141 PolarHBondContact O-N 3.24Å; T138-L142 HydrophobicContact CG2-CD1 4.14Å; T138-L142 WeakPolarHBondContact O-CG 3.41Å; T138-L142 PolarHBondContact O-N 3Å; T138-F155 HydrophobicContact CG2-CZ 3.97Å; T138-A252 HydrophobicContact CG2-CB 4.2Å; T138-A252 WeakPolarHBondContact OG1-CB 3.33Å; T138-V256 HydrophobicContact CG2-CG2 3.65Å
139	Y	98.8	Very high	98.5	Very high	39 Å²	39	62 Å²	62	15%	0.153	29%	0.289	C	S	.	.	H	α-helix	trans	-57.9	-54	175.2	167.4	-108.9	0	0	0	111.8	M135 K136 Y141 L142 I143 G150 D151 I152 F155	M135-Y139 PolarHBondContact O-N 3.09Å; K136-Y139 WeakPolarHBondContact O-CB 3.15Å; K136-Y139 PolarHBondContact O-N 3.49Å; Y139-Y141 VanDerWaalsContact C-N 3.28Å; Y139-Y141 PolarHBondContact O-N 3.15Å; Y139-L142 PolarHBondContact O-N 2.6Å; Y139-I143 HydrophobicContact CD2-CG1 3.96Å; Y139-I143 HydrophobicContact CE1-CG1 4.28Å; Y139-I143 HydrophobicContact CE2-CD1 3.76Å; Y139-I143 HydrophobicContact CE2-CG1 3.56Å; Y139-I143 WeakPolarHBondContact O-CG1 3.08Å; Y139-I143 PolarHBondContact O-N 3.25Å; Y139-G150 PolarHBondContact OH-O 3.3Å; Y139-D151 WeakPolarHBondContact OH-CA 3.42Å; Y139-I152 HydrophobicContact CD1-CD1 3.82Å; Y139-I152 HydrophobicContact CD2-CD1 4.05Å; Y139-I152 HydrophobicContact CE1-CD1 4.43Å; Y139-I152 HydrophobicContact CG-CD1 3.59Å; Y139-F155 HydrophobicContact CD2-CB 3.46Å; Y139-F155 VanDerWaalsContact CD2-CB 3.46Å; Y139-F155 AromaticContact CD2-CD1 3.87Å; Y139-F155 HydrophobicContact CD2-CD1 3.87Å; Y139-F155 HydrophobicContact CD2-CD2 4.13Å; Y139-F155 AromaticContact CD2-CG 3.55Å; Y139-F155 HydrophobicContact CD2-CG 3.55Å; Y139-F155 HydrophobicContact CE2-CB 3.88Å; Y139-F155 HydrophobicContact CE2-CG 4.44Å; Y139-F155 HydrophobicContact CG-CB 4.43Å; Y139-F155 HydrophobicContact CG-CD1 4.12Å; Y139-F155 HydrophobicContact CG-CG 4.27Å
140	D	98.8	Very high	98.4	Very high	99 Å²	99	64.2 Å²	64.2	53%	0.529	31%	0.312	S	S	.	.	H	α-helix	trans	-58.2	-42.9	-178.3	-67.1	-25.2	0	0	0	111.2	K136 I143 E144	K136-D140 PolarHBondContact O-N 3.16Å; D140-I143 PolarHBondContact O-N 2.66Å; D140-E144 PolarHBondContact O-N 2.71Å
141	Y	98.8	Very high	98.4	Very high	16 Å²	16	66.7 Å²	66.7	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-64.2	-45.1	178.1	-174.2	-101.4	0	0	0	112.5	E35 L36 F39 M137 T138 Y139 I143 E144 K145 V256 L260	E35-Y141 WeakPolarHBondContact OE1-CE2 3.17Å; E35-Y141 PolarHBondContact OE1-OH 3.29Å; L36-Y141 HydrophobicContact CD2-CE1 4.03Å; F39-Y141 HydrophobicContact CB-CE2 4.21Å; F39-Y141 AromaticContact CD1-CD1 3.96Å; F39-Y141 HydrophobicContact CD1-CD1 3.96Å; F39-Y141 HydrophobicContact CD1-CD2 4.33Å; F39-Y141 HydrophobicContact CD1-CE1 4.08Å; F39-Y141 HydrophobicContact CD1-CE2 4.46Å; F39-Y141 HydrophobicContact CD1-CG 4.08Å; F39-Y141 AromaticContact CD2-CD2 3.61Å; F39-Y141 HydrophobicContact CD2-CD2 3.61Å; F39-Y141 HydrophobicContact CD2-CE2 4.09Å; F39-Y141 AromaticContact CD2-CG 3.88Å; F39-Y141 HydrophobicContact CD2-CG 3.88Å; F39-Y141 AromaticContact CE1-CD1 3.8Å; F39-Y141 HydrophobicContact CE1-CD1 3.8Å; F39-Y141 HydrophobicContact CE1-CD2 4.49Å; F39-Y141 HydrophobicContact CE1-CE1 4.36Å; F39-Y141 AromaticContact CE1-CG 3.87Å; F39-Y141 HydrophobicContact CE1-CG 3.87Å; F39-Y141 HydrophobicContact CE2-CD1 4.42Å; F39-Y141 AromaticContact CE2-CD2 3.8Å; F39-Y141 HydrophobicContact CE2-CD2 3.8Å; F39-Y141 AromaticContact CE2-CG 3.66Å; F39-Y141 HydrophobicContact CE2-CG 3.66Å; F39-Y141 HydrophobicContact CG-CD1 4.35Å; F39-Y141 AromaticContact CG-CD2 3.89Å; F39-Y141 HydrophobicContact CG-CD2 3.89Å; F39-Y141 HydrophobicContact CG-CE1 4.41Å; F39-Y141 AromaticContact CG-CE2 3.98Å; F39-Y141 HydrophobicContact CG-CE2 3.98Å; F39-Y141 HydrophobicContact CG-CG 4.09Å; F39-Y141 VanDerWaalsContact CZ-CB 3.43Å; F39-Y141 HydrophobicContact CZ-CD1 4.04Å; F39-Y141 HydrophobicContact CZ-CD2 4.25Å; F39-Y141 AromaticContact CZ-CG 3.65Å; F39-Y141 HydrophobicContact CZ-CG 3.65Å; M137-Y141 VanDerWaalsContact O-CB 3.31Å; M137-Y141 WeakPolarHBondContact O-CB 3.21Å; M137-Y141 PolarHBondContact O-N 3.49Å; T138-Y141 PolarHBondContact O-N 3.24Å; Y139-Y141 VanDerWaalsContact C-N 3.28Å; Y139-Y141 PolarHBondContact O-N 3.15Å; Y141-I143 VanDerWaalsContact C-N 3.33Å; Y141-I143 PolarHBondContact O-N 3.45Å; Y141-E144 PolarHBondContact O-N 3.25Å; Y141-K145 HydrophobicContact CD1-CG 4.28Å; Y141-K145 HydrophobicContact CE1-CG 3.95Å; Y141-K145 HydrophobicContact CE2-CG 4.48Å; Y141-K145 VanDerWaalsContact CZ-CE 3.5Å; Y141-K145 WeakPolarHBondContact O-CG 3.38Å; Y141-K145 PolarHBondContact O-N 2.8Å; Y141-K145 VanDerWaalsContact OH-CE 3.27Å; Y141-K145 WeakPolarHBondContact OH-CE 3.44Å; Y141-V256 HydrophobicContact CD1-CG1 3.88Å; Y141-V256 HydrophobicContact CD1-CG2 4.25Å; Y141-V256 HydrophobicContact CE1-CG1 3.6Å; Y141-L260 HydrophobicContact CE1-CD1 4.06Å
142	L	98.7	Very high	98.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-70.4	-28.9	179.2	-69.8	175.2	0	0	0	113	T138 Y139 R146 K147 V148 F155 F158 T255 V256 A259	T138-L142 HydrophobicContact CG2-CD1 4.14Å; T138-L142 WeakPolarHBondContact O-CG 3.41Å; T138-L142 PolarHBondContact O-N 3Å; Y139-L142 PolarHBondContact O-N 2.6Å; L142-R146 PolarHBondContact O-N 2.8Å; L142-R146 VanDerWaalsContact O-N 3.15Å; L142-K147 HydrophobicContact CB-CB 4.41Å; L142-K147 HydrophobicContact CD2-CB 3.96Å; L142-K147 HydrophobicContact CD2-CG 4.34Å; L142-K147 PolarHBondContact O-N 2.82Å; L142-V148 HydrophobicContact CB-CG1 4.25Å; L142-V148 HydrophobicContact CB-CG2 3.66Å; L142-V148 HydrophobicContact CD1-CG1 4.44Å; L142-V148 PolarHBondContact O-N 3.49Å; L142-F155 HydrophobicContact CD1-CE2 3.82Å; L142-F155 HydrophobicContact CD1-CZ 4.28Å; L142-F158 HydrophobicContact CD1-CE1 4.41Å; L142-T255 HydrophobicContact CD1-CG2 3.89Å; L142-V256 HydrophobicContact CD1-CG2 4.18Å; L142-V256 HydrophobicContact CD2-CG2 4Å; L142-V256 HydrophobicContact CG-CG2 4Å; L142-A259 HydrophobicContact CD2-CB 3.83Å
143	I	98.5	Very high	98.3	Very high	58 Å²	58	66.7 Å²	66.7	30%	0.297	33%	0.333	S	S	.	.	H	α-helix	trans	-64.3	-49	169.5	-71.2	-75.2	0	0	0	109.9	Y139 D140 Y141 K145 R146 V148	Y139-I143 HydrophobicContact CD2-CG1 3.96Å; Y139-I143 HydrophobicContact CE1-CG1 4.28Å; Y139-I143 HydrophobicContact CE2-CD1 3.76Å; Y139-I143 HydrophobicContact CE2-CG1 3.56Å; Y139-I143 WeakPolarHBondContact O-CG1 3.08Å; Y139-I143 PolarHBondContact O-N 3.25Å; D140-I143 PolarHBondContact O-N 2.66Å; Y141-I143 VanDerWaalsContact C-N 3.33Å; Y141-I143 PolarHBondContact O-N 3.45Å; I143-K145 VanDerWaalsContact C-N 3.28Å; I143-K145 PolarHBondContact O-N 2.81Å; I143-R146 WeakPolarHBondContact O-CA 3.33Å; I143-R146 PolarHBondContact O-N 2.64Å; I143-V148 HydrophobicContact CD1-CG2 3.8Å; I143-V148 HydrophobicContact CG1-CG2 3.86Å
144	E	98.4	Very high	98.3	Very high	140 Å²	140	63.7 Å²	63.7	65%	0.654	32%	0.324	S	S	*	.	H	α-helix	trans	-58.4	-41.9	177.6	-171.3	-169.1	144.2	0	0	111.5	D140 Y141 R146	D140-E144 PolarHBondContact O-N 2.71Å; Y141-E144 PolarHBondContact O-N 3.25Å; E144-R146 PolarHBondContact O-N 2.98Å
145	K	98.2	Very high	98.3	Very high	58 Å²	58	63.7 Å²	63.7	25%	0.252	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	0.2	175.5	-62	-54.2	-178.5	-173.1	0	114.5	E35 Y141 I143 K147 L260	E35-K145 WeakPolarHBondContact OE1-CE 3.49Å; E35-K145 IonicContact OE1-NZ 3.75Å; E35-K145 PolarHBondContact OE1-NZ 2.69Å; E35-K145 IonicContact OE2-NZ 2.91Å; E35-K145 PolarHBondContact OE2-NZ 2.83Å; Y141-K145 HydrophobicContact CD1-CG 4.28Å; Y141-K145 HydrophobicContact CE1-CG 3.95Å; Y141-K145 HydrophobicContact CE2-CG 4.48Å; Y141-K145 VanDerWaalsContact CZ-CE 3.5Å; Y141-K145 WeakPolarHBondContact O-CG 3.38Å; Y141-K145 PolarHBondContact O-N 2.8Å; Y141-K145 VanDerWaalsContact OH-CE 3.27Å; Y141-K145 WeakPolarHBondContact OH-CE 3.44Å; I143-K145 VanDerWaalsContact C-N 3.28Å; I143-K145 PolarHBondContact O-N 2.81Å; K145-K147 HydrophobicContact CB-CG 4.06Å; K145-K147 PolarHBondContact O-N 2.82Å; K145-L260 HydrophobicContact CB-CD2 4.05Å; K145-L260 HydrophobicContact CG-CD2 4.19Å
146	R	97.9	Very high	98.3	Very high	226 Å²	226	64 Å²	64	85%	0.853	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	32.5	-179.3	-51.7	178.5	-177.8	-177.5	-1	112.9	L142 I143 E144	L142-R146 PolarHBondContact O-N 2.8Å; L142-R146 VanDerWaalsContact O-N 3.15Å; I143-R146 WeakPolarHBondContact O-CA 3.33Å; I143-R146 PolarHBondContact O-N 2.64Å; E144-R146 PolarHBondContact O-N 2.98Å
147	K	97.5	Very high	98.3	Very high	99 Å²	99	65.8 Å²	65.8	43%	0.43	33%	0.334	S	S	.	.	S	Bend	trans	-91.9	-23.6	176.5	-66.8	-62.9	-179.8	153.2	0	112.5	L142 K145 A259 L260	L142-K147 HydrophobicContact CB-CB 4.41Å; L142-K147 HydrophobicContact CD2-CB 3.96Å; L142-K147 HydrophobicContact CD2-CG 4.34Å; L142-K147 PolarHBondContact O-N 2.82Å; K145-K147 HydrophobicContact CB-CG 4.06Å; K145-K147 PolarHBondContact O-N 2.82Å; K147-A259 HydrophobicContact CB-CB 4.35Å; K147-A259 WeakPolarHBondContact CD-O 3.35Å; K147-A259 WeakPolarHBondContact CE-O 3.46Å; K147-A259 HydrophobicContact CG-CB 4.4Å; K147-A259 PolarHBondContact NZ-O 3.4Å; K147-L260 HydrophobicContact CD-CD2 4.33Å; K147-L260 HydrophobicContact CG-CD2 3.83Å
148	V	97.4	Very high	98.2	Very high	19 Å²	19	66.7 Å²	66.7	12%	0.115	34%	0.338	C	S	.	.			trans	-130.9	166.2	170.5	-57.7	0	0	0	0	109.5	L142 I143 F155 F158	L142-V148 HydrophobicContact CB-CG1 4.25Å; L142-V148 HydrophobicContact CB-CG2 3.66Å; L142-V148 HydrophobicContact CD1-CG1 4.44Å; L142-V148 PolarHBondContact O-N 3.49Å; I143-V148 HydrophobicContact CD1-CG2 3.8Å; I143-V148 HydrophobicContact CG1-CG2 3.86Å; V148-F155 HydrophobicContact CG1-CD2 4.17Å; V148-F155 HydrophobicContact CG1-CE2 4.41Å; V148-F155 HydrophobicContact CG2-CD2 4.24Å; V148-F158 HydrophobicContact CG1-CD1 3.75Å; V148-F158 HydrophobicContact CG1-CD2 4.09Å; V148-F158 HydrophobicContact CG1-CE1 3.84Å; V148-F158 HydrophobicContact CG1-CE2 4.18Å; V148-F158 HydrophobicContact CG1-CG 3.87Å; V148-F158 HydrophobicContact CG1-CZ 4.06Å
149	S	97.3	Very high	98.2	Very high	100 Å²	100	66.7 Å²	66.7	70%	0.699	34%	0.338	S	S	*	.			trans	-149.5	160.9	178.8	62.6	0	0	0	0	110.3
150	G	97.7	Very high	98.2	Very high	47 Å²	47	67 Å²	67	49%	0.485	34%	0.339	S	S	.	.	S	Bend	trans	94.6	-155.9	-178.1	0	0	0	0	0	111.3	Y139	Y139-G150 PolarHBondContact OH-O 3.3Å
151	D	98.2	Very high	98.1	Very high	79 Å²	79	66.4 Å²	66.4	42%	0.422	34%	0.337	S	S	.	.			trans	-97.4	-176.9	-179.2	70	16	0	0	0	112.7	Y139 T153 N154 F155	Y139-D151 WeakPolarHBondContact OH-CA 3.42Å; D151-T153 PolarHBondContact O-N 3.26Å; D151-T153 VanDerWaalsContact OD1-CA 3.27Å; D151-T153 WeakPolarHBondContact OD1-CA 3.42Å; D151-T153 WeakPolarHBondContact OD1-CB 3.37Å; D151-T153 PolarHBondContact OD1-N 3.24Å; D151-T153 PolarHBondContact OD1-OG1 2.8Å; D151-N154 PolarHBondContact N-OD1 2.83Å; D151-N154 VanDerWaalsContact N-OD1 3.08Å; D151-N154 WeakPolarHBondContact O-CB 3.33Å; D151-N154 PolarHBondContact O-N 3.36Å; D151-N154 VanDerWaalsContact O-N 3.1Å; D151-N154 PolarHBondContact OD1-N 3.04Å; D151-N154 PolarHBondContact OD1-OD1 3.09Å; D151-N154 VanDerWaalsContact OD1-OD1 3.11Å; D151-F155 PolarHBondContact O-N 2.9Å
152	I	97.8	Very high	98.1	Very high	60 Å²	60	66.2 Å²	66.2	31%	0.308	34%	0.337	S	S	.	.	H	α-helix	trans	-61.8	-25	178	-162.8	67.2	0	0	0	112.9	L130 Y139 F155 G156	L130-I152 HydrophobicContact CD2-CD1 4.01Å; L130-I152 HydrophobicContact CD2-CG1 4.07Å; Y139-I152 HydrophobicContact CD1-CD1 3.82Å; Y139-I152 HydrophobicContact CD2-CD1 4.05Å; Y139-I152 HydrophobicContact CE1-CD1 4.43Å; Y139-I152 HydrophobicContact CG-CD1 3.59Å; I152-F155 HydrophobicContact CD1-CD1 3.95Å; I152-F155 PolarHBondContact O-N 3.33Å; I152-G156 PolarHBondContact O-N 2.89Å
153	T	97.9	Very high	98	Very high	78 Å²	78	66.2 Å²	66.2	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-72.7	-41.9	174.9	-46.4	0	0	0	0	110.4	D151 F155 G156 K157	D151-T153 PolarHBondContact O-N 3.26Å; D151-T153 VanDerWaalsContact OD1-CA 3.27Å; D151-T153 WeakPolarHBondContact OD1-CA 3.42Å; D151-T153 WeakPolarHBondContact OD1-CB 3.37Å; D151-T153 PolarHBondContact OD1-N 3.24Å; D151-T153 PolarHBondContact OD1-OG1 2.8Å; T153-F155 VanDerWaalsContact C-N 3.26Å; T153-F155 PolarHBondContact O-N 2.99Å; T153-G156 PolarHBondContact O-N 3.14Å; T153-K157 PolarHBondContact O-N 2.71Å; T153-K157 VanDerWaalsContact O-N 3.13Å
154	N	98.3	Very high	97.9	Very high	73 Å²	73	63.6 Å²	63.6	39%	0.39	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-39.5	171	-66.9	111	0	0	0	111.1	D151 K157 F158	D151-N154 PolarHBondContact N-OD1 2.83Å; D151-N154 VanDerWaalsContact N-OD1 3.08Å; D151-N154 WeakPolarHBondContact O-CB 3.33Å; D151-N154 PolarHBondContact O-N 3.36Å; D151-N154 VanDerWaalsContact O-N 3.1Å; D151-N154 PolarHBondContact OD1-N 3.04Å; D151-N154 PolarHBondContact OD1-OD1 3.09Å; D151-N154 VanDerWaalsContact OD1-OD1 3.11Å; N154-K157 WeakPolarHBondContact O-CB 3.27Å; N154-K157 PolarHBondContact O-N 2.78Å; N154-F158 PolarHBondContact O-N 3.34Å
155	F	98.6	Very high	97.7	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.009	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-40.4	175.4	-177.1	-123.1	0	0	0	113	L130 M135 T138 Y139 L142 V148 D151 I152 T153 K157 F158 L159	L130-F155 HydrophobicContact CD2-CD1 3.75Å; L130-F155 HydrophobicContact CD2-CE1 4.29Å; M135-F155 HydrophobicContact CG-CE1 3.86Å; M135-F155 HydrophobicContact SD-CE1 3.65Å; M135-F155 HydrophobicContact SD-CZ 3.94Å; T138-F155 HydrophobicContact CG2-CZ 3.97Å; Y139-F155 HydrophobicContact CD2-CB 3.46Å; Y139-F155 VanDerWaalsContact CD2-CB 3.46Å; Y139-F155 AromaticContact CD2-CD1 3.87Å; Y139-F155 HydrophobicContact CD2-CD1 3.87Å; Y139-F155 HydrophobicContact CD2-CD2 4.13Å; Y139-F155 AromaticContact CD2-CG 3.55Å; Y139-F155 HydrophobicContact CD2-CG 3.55Å; Y139-F155 HydrophobicContact CE2-CB 3.88Å; Y139-F155 HydrophobicContact CE2-CG 4.44Å; Y139-F155 HydrophobicContact CG-CB 4.43Å; Y139-F155 HydrophobicContact CG-CD1 4.12Å; Y139-F155 HydrophobicContact CG-CG 4.27Å; L142-F155 HydrophobicContact CD1-CE2 3.82Å; L142-F155 HydrophobicContact CD1-CZ 4.28Å; V148-F155 HydrophobicContact CG1-CD2 4.17Å; V148-F155 HydrophobicContact CG1-CE2 4.41Å; V148-F155 HydrophobicContact CG2-CD2 4.24Å; D151-F155 PolarHBondContact O-N 2.9Å; I152-F155 HydrophobicContact CD1-CD1 3.95Å; I152-F155 PolarHBondContact O-N 3.33Å; T153-F155 VanDerWaalsContact C-N 3.26Å; T153-F155 PolarHBondContact O-N 2.99Å; F155-K157 VanDerWaalsContact C-N 3.3Å; F155-K157 PolarHBondContact O-N 3.21Å; F155-F158 AromaticContact CD2-CD1 3.82Å; F155-F158 HydrophobicContact CD2-CD1 3.82Å; F155-F158 AromaticContact CE2-CD1 3.75Å; F155-F158 HydrophobicContact CE2-CD1 3.75Å; F155-F158 HydrophobicContact CE2-CE1 4.1Å; F155-F158 WeakPolarHBondContact O-CB 3.2Å; F155-F158 PolarHBondContact O-N 3.47Å; F155-F158 VanDerWaalsContact O-N 3.16Å; F155-L159 HydrophobicContact CD1-CD1 4.1Å; F155-L159 HydrophobicContact CD2-CG 4.48Å; F155-L159 HydrophobicContact CE1-CD1 3.7Å; F155-L159 HydrophobicContact CE1-CG 4.18Å; F155-L159 HydrophobicContact CE2-CD1 4.5Å; F155-L159 HydrophobicContact CE2-CD2 4.11Å; F155-L159 HydrophobicContact CE2-CG 4.09Å; F155-L159 HydrophobicContact CZ-CD1 3.91Å; F155-L159 HydrophobicContact CZ-CD2 3.89Å; F155-L159 HydrophobicContact CZ-CG 3.93Å; F155-L159 WeakPolarHBondContact O-CG 3.34Å; F155-L159 PolarHBondContact O-N 3.46Å
156	G	98.7	Very high	97.5	Very high	7 Å²	7	60 Å²	60	7%	0.072	30%	0.304	C	S	.	.	H	α-helix	trans	-56.9	-42.4	171.8	0	0	0	0	0	113	I152 T153 L159 K160	I152-G156 PolarHBondContact O-N 2.89Å; T153-G156 PolarHBondContact O-N 3.14Å; G156-L159 PolarHBondContact O-N 3.31Å; G156-K160 WeakPolarHBondContact O-CB 3.21Å; G156-K160 PolarHBondContact O-N 3.33Å
157	K	98.2	Very high	97.2	Very high	137 Å²	137	49.7 Å²	49.7	60%	0.596	27%	0.266	S	S	*	.	H	α-helix	trans	-64.7	-41.3	174.9	-66.4	172.7	-177	174.1	0	112.1	T153 N154 F155 K160 D161	T153-K157 PolarHBondContact O-N 2.71Å; T153-K157 VanDerWaalsContact O-N 3.13Å; N154-K157 WeakPolarHBondContact O-CB 3.27Å; N154-K157 PolarHBondContact O-N 2.78Å; F155-K157 VanDerWaalsContact C-N 3.3Å; F155-K157 PolarHBondContact O-N 3.21Å; K157-K160 PolarHBondContact O-N 3.4Å; K157-D161 PolarHBondContact O-N 2.57Å
158	F	98.2	Very high	96.7	Very high	64 Å²	64	50.5 Å²	50.5	28%	0.281	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-46.9	174.5	164.7	-96.6	0	0	0	111.7	L142 V148 N154 F155 K160 D161 L162 T255	L142-F158 HydrophobicContact CD1-CE1 4.41Å; V148-F158 HydrophobicContact CG1-CD1 3.75Å; V148-F158 HydrophobicContact CG1-CD2 4.09Å; V148-F158 HydrophobicContact CG1-CE1 3.84Å; V148-F158 HydrophobicContact CG1-CE2 4.18Å; V148-F158 HydrophobicContact CG1-CG 3.87Å; V148-F158 HydrophobicContact CG1-CZ 4.06Å; N154-F158 PolarHBondContact O-N 3.34Å; F155-F158 AromaticContact CD2-CD1 3.82Å; F155-F158 HydrophobicContact CD2-CD1 3.82Å; F155-F158 AromaticContact CE2-CD1 3.75Å; F155-F158 HydrophobicContact CE2-CD1 3.75Å; F155-F158 HydrophobicContact CE2-CE1 4.1Å; F155-F158 WeakPolarHBondContact O-CB 3.2Å; F155-F158 PolarHBondContact O-N 3.47Å; F155-F158 VanDerWaalsContact O-N 3.16Å; F158-K160 VanDerWaalsContact C-N 3.33Å; F158-K160 PolarHBondContact O-N 2.95Å; F158-D161 PolarHBondContact O-N 3.04Å; F158-L162 HydrophobicContact CE1-CD2 4.23Å; F158-L162 HydrophobicContact CZ-CD2 4.11Å; F158-L162 WeakPolarHBondContact O-CB 3.43Å; F158-L162 PolarHBondContact O-N 3.2Å; F158-T255 HydrophobicContact CE1-CG2 3.75Å; F158-T255 HydrophobicContact CZ-CG2 4.43Å
159	L	98.6	Very high	96.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-42.7	176	-70	175.2	0	0	0	111.4	I126 L130 M135 F155 G156 D161 L162 W163 I251 T255	I126-L159 HydrophobicContact CD1-CB 3.67Å; L130-L159 HydrophobicContact CD2-CD1 4.21Å; M135-L159 HydrophobicContact CG-CD1 4.16Å; M135-L159 HydrophobicContact SD-CD1 3.67Å; M135-L159 HydrophobicContact SD-CD2 4.48Å; F155-L159 HydrophobicContact CD1-CD1 4.1Å; F155-L159 HydrophobicContact CD2-CG 4.48Å; F155-L159 HydrophobicContact CE1-CD1 3.7Å; F155-L159 HydrophobicContact CE1-CG 4.18Å; F155-L159 HydrophobicContact CE2-CD1 4.5Å; F155-L159 HydrophobicContact CE2-CD2 4.11Å; F155-L159 HydrophobicContact CE2-CG 4.09Å; F155-L159 HydrophobicContact CZ-CD1 3.91Å; F155-L159 HydrophobicContact CZ-CD2 3.89Å; F155-L159 HydrophobicContact CZ-CG 3.93Å; F155-L159 WeakPolarHBondContact O-CG 3.34Å; F155-L159 PolarHBondContact O-N 3.46Å; G156-L159 PolarHBondContact O-N 3.31Å; L159-D161 VanDerWaalsContact C-N 3.34Å; L159-D161 PolarHBondContact O-N 2.78Å; L159-L162 PolarHBondContact O-N 2.92Å; L159-W163 WeakPolarHBondContact O-CB 3.33Å; L159-W163 VanDerWaalsContact O-CD1 3.31Å; L159-W163 PolarHBondContact O-N 3.34Å; L159-I251 HydrophobicContact CD2-CG2 4.46Å; L159-T255 HydrophobicContact CD2-CG2 3.74Å
160	K	98	Very high	95.4	Very high	44 Å²	44	53.9 Å²	53.9	19%	0.191	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-45.4	178.3	-167.6	175.2	-174.1	172.6	0	111.5	E122 D123 I126 G156 K157 F158 F164	E122-K160 VanDerWaalsContact OE2-CE 3.29Å; E122-K160 WeakPolarHBondContact OE2-CE 3.11Å; D123-K160 WeakPolarHBondContact OD1-CE 3.27Å; D123-K160 IonicContact OD1-NZ 3.82Å; D123-K160 PolarHBondContact OD1-NZ 2.92Å; D123-K160 IonicContact OD2-NZ 2.67Å; D123-K160 PolarHBondContact OD2-NZ 2.93Å; D123-K160 VanDerWaalsContact OD2-NZ 3.13Å; I126-K160 HydrophobicContact CG1-CB 4.25Å; G156-K160 WeakPolarHBondContact O-CB 3.21Å; G156-K160 PolarHBondContact O-N 3.33Å; K157-K160 PolarHBondContact O-N 3.4Å; F158-K160 VanDerWaalsContact C-N 3.33Å; F158-K160 PolarHBondContact O-N 2.95Å; K160-F164 HydrophobicContact CG-CD2 4.07Å; K160-F164 WeakPolarHBondContact O-CB 3.4Å; K160-F164 PolarHBondContact O-N 3.33Å
161	D	97	Very high	94.4	Very high	88 Å²	88	53.4 Å²	53.4	47%	0.471	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-49.2	177.1	-165.1	70.1	0	0	0	111.5	K157 F158 L159 W163 K165	K157-D161 PolarHBondContact O-N 2.57Å; F158-D161 PolarHBondContact O-N 3.04Å; L159-D161 VanDerWaalsContact C-N 3.34Å; L159-D161 PolarHBondContact O-N 2.78Å; D161-W163 VanDerWaalsContact C-N 3.34Å; D161-W163 PolarHBondContact O-N 3.38Å; D161-K165 WeakPolarHBondContact O-CB 3.29Å; D161-K165 PolarHBondContact O-N 3.4Å; D161-K165 WeakPolarHBondContact OD1-CD 3.5Å
162	L	98	Very high	93.6	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-43.8	-179.1	177	62.4	0	0	0	112.7	F158 L159 A177 T255 F258 M287	F158-L162 HydrophobicContact CE1-CD2 4.23Å; F158-L162 HydrophobicContact CZ-CD2 4.11Å; F158-L162 WeakPolarHBondContact O-CB 3.43Å; F158-L162 PolarHBondContact O-N 3.2Å; L159-L162 PolarHBondContact O-N 2.92Å; L162-A177 WeakPolarHBondContact O-CB 3.34Å; L162-T255 HydrophobicContact CD2-CG2 3.81Å; L162-F258 HydrophobicContact CD1-CD1 3.68Å; L162-F258 HydrophobicContact CD1-CE1 3.75Å; L162-M287 HydrophobicContact CD1-CB 4.06Å; L162-M287 HydrophobicContact CD1-CE 4.4Å; L162-M287 HydrophobicContact CG-CE 4.35Å
163	W	98.1	Very high	92.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-92.9	-38.7	-170.2	-73.1	104	0	0	0	113.9	L159 D161 A177 F178 V181 F182 I251 Y254 T255 M287	L159-W163 WeakPolarHBondContact O-CB 3.33Å; L159-W163 VanDerWaalsContact O-CD1 3.31Å; L159-W163 PolarHBondContact O-N 3.34Å; D161-W163 VanDerWaalsContact C-N 3.34Å; D161-W163 PolarHBondContact O-N 3.38Å; W163-A177 HydrophobicContact CE3-CB 4.06Å; W163-A177 HydrophobicContact CZ3-CB 4.46Å; W163-A177 PolarHBondContact O-N 3.05Å; W163-F178 HydrophobicContact CB-CB 4.45Å; W163-F178 HydrophobicContact CE3-CB 4.43Å; W163-F178 VanDerWaalsContact O-CB 3.27Å; W163-F178 WeakPolarHBondContact O-CB 3.35Å; W163-F178 PolarHBondContact O-N 3.22Å; W163-V181 HydrophobicContact CZ3-CB 4.17Å; W163-V181 HydrophobicContact CZ3-CG1 4.4Å; W163-V181 HydrophobicContact CZ3-CG2 4.25Å; W163-F182 HydrophobicContact CE3-CD2 4.39Å; W163-F182 AromaticContact CE3-CE2 3.82Å; W163-F182 HydrophobicContact CE3-CE2 3.82Å; W163-F182 AromaticContact CH2-CE2 3.7Å; W163-F182 HydrophobicContact CH2-CE2 3.7Å; W163-F182 HydrophobicContact CH2-CZ 4.08Å; W163-F182 HydrophobicContact CZ2-CE2 4.5Å; W163-F182 HydrophobicContact CZ3-CD2 4.07Å; W163-F182 AromaticContact CZ3-CE2 3.32Å; W163-F182 HydrophobicContact CZ3-CE2 3.32Å; W163-F182 HydrophobicContact CZ3-CZ 4.15Å; W163-I251 HydrophobicContact CD2-CD1 3.71Å; W163-I251 HydrophobicContact CE3-CD1 4.12Å; W163-I251 HydrophobicContact CG-CD1 4.15Å; W163-I251 HydrophobicContact CH2-CD1 4.2Å; W163-I251 HydrophobicContact CZ2-CD1 3.82Å; W163-I251 HydrophobicContact CZ2-CG2 4.41Å; W163-I251 HydrophobicContact CZ3-CD1 4.36Å; W163-Y254 AromaticContact CH2-CD2 3.99Å; W163-Y254 HydrophobicContact CH2-CD2 3.99Å; W163-Y254 HydrophobicContact CH2-CG 4.27Å; W163-T255 PolarHBondContact NE1-OG1 2.94Å; W163-M287 HydrophobicContact CD2-CE 3.98Å; W163-M287 HydrophobicContact CE3-CE 3.65Å; W163-M287 HydrophobicContact CH2-CE 3.27Å; W163-M287 HydrophobicContact CH2-SD 4.42Å; W163-M287 HydrophobicContact CZ2-CE 3.6Å; W163-M287 HydrophobicContact CZ3-CE 3.27Å
164	F	96.6	Very high	92.3	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.013	25%	0.25	C	S	.	.	H	α-helix	trans	-112.6	-8.2	-168.7	-55.6	-64.3	0	0	0	114.5	L100 Y104 E122 F125 I126 K160 R166 F178	L100-F164 HydrophobicContact CD1-CE1 3.92Å; L100-F164 HydrophobicContact CD1-CZ 3.81Å; L100-F164 HydrophobicContact CD2-CE1 4.45Å; Y104-F164 WeakPolarHBondContact OH-CD1 3.4Å; E122-F164 HydrophobicContact CB-CD2 4.13Å; E122-F164 HydrophobicContact CB-CE2 4.38Å; E122-F164 HydrophobicContact CB-CG 4.34Å; E122-F164 HydrophobicContact CG-CB 4.13Å; E122-F164 HydrophobicContact CG-CD1 3.88Å; E122-F164 HydrophobicContact CG-CD2 4.05Å; E122-F164 HydrophobicContact CG-CE1 4.28Å; E122-F164 HydrophobicContact CG-CE2 4.47Å; E122-F164 HydrophobicContact CG-CG 3.75Å; F125-F164 HydrophobicContact CD1-CE2 4.27Å; F125-F164 AromaticContact CD1-CZ 3.75Å; F125-F164 HydrophobicContact CD1-CZ 3.75Å; F125-F164 HydrophobicContact CE1-CZ 4.2Å; I126-F164 HydrophobicContact CD1-CE2 3.87Å; I126-F164 HydrophobicContact CG1-CE2 4.04Å; K160-F164 HydrophobicContact CG-CD2 4.07Å; K160-F164 WeakPolarHBondContact O-CB 3.4Å; K160-F164 PolarHBondContact O-N 3.33Å; F164-R166 PolarHBondContact O-N 3.41Å; F164-R166 VanDerWaalsContact O-N 3.11Å; F164-R166 PolarHBondContact O-NH1 2.89Å; F164-R166 VanDerWaalsContact O-NH1 3.1Å; F164-F178 HydrophobicContact CD1-CB 3.82Å; F164-F178 HydrophobicContact CD1-CD2 4.4Å; F164-F178 HydrophobicContact CD1-CG 4.03Å; F164-F178 HydrophobicContact CE1-CB 3.71Å; F164-F178 HydrophobicContact CE1-CD1 4.03Å; F164-F178 AromaticContact CE1-CD2 3.44Å; F164-F178 HydrophobicContact CE1-CD2 3.44Å; F164-F178 VanDerWaalsContact CE1-CD2 3.44Å; F164-F178 HydrophobicContact CE1-CE2 4.02Å; F164-F178 AromaticContact CE1-CG 3.44Å; F164-F178 HydrophobicContact CE1-CG 3.44Å; F164-F178 VanDerWaalsContact CE1-CG 3.44Å; F164-F178 AromaticContact CZ-CD2 3.9Å; F164-F178 HydrophobicContact CZ-CD2 3.9Å; F164-F178 HydrophobicContact CZ-CE2 4.3Å; F164-F178 HydrophobicContact CZ-CG 4.34Å
165	K	94.4	Very high	92	Very high	92 Å²	92	50 Å²	50	40%	0.4	23%	0.232	S	C	.	.			trans	-62	120.3	171.4	-176.4	-174.3	179.1	-171.1	0	108.8	D161 E286	D161-K165 WeakPolarHBondContact O-CB 3.29Å; D161-K165 PolarHBondContact O-N 3.4Å; D161-K165 WeakPolarHBondContact OD1-CD 3.5Å; K165-E286 IonicContact NZ-OE1 3.34Å; K165-E286 PolarHBondContact NZ-OE1 2.9Å
166	R	93.3	Very high	91.8	Very high	30 Å²	30	50 Å²	50	11%	0.113	23%	0.231	C	C	.	.			trans	-80.1	125.1	179.1	-68.2	151.5	-177	89.9	-9.3	109.3	E122 F164 K173 S175	E122-R166 IonicContact OE1-CZ 3.15Å; E122-R166 IonicContact OE1-NH1 3.33Å; E122-R166 PolarHBondContact OE1-NH1 3.44Å; E122-R166 IonicContact OE1-NH2 2.8Å; E122-R166 PolarHBondContact OE1-NH2 3.02Å; F164-R166 PolarHBondContact O-N 3.41Å; F164-R166 VanDerWaalsContact O-N 3.11Å; F164-R166 PolarHBondContact O-NH1 2.89Å; F164-R166 VanDerWaalsContact O-NH1 3.1Å; R166-K173 HydrophobicContact CB-CB 3.91Å; R166-K173 HydrophobicContact CB-CG 4.32Å; R166-S175 CarbonylContact C-O 3.53Å; R166-S175 VanDerWaalsContact CA-O 3.23Å; R166-S175 WeakPolarHBondContact CA-O 2.93Å
167	Y	90.9	Very high	91.7	Very high	10 Å²	10	49.6 Å²	49.6	4%	0.039	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-118.1	-177.2	178.6	51.9	-117.6	0	0	0	110.5	K173 D174 S175 S176 A177 L282 E286 M287	Y167-K173 VanDerWaalsContact O-CA 3.27Å; Y167-K173 WeakPolarHBondContact O-CA 3.49Å; Y167-K173 PolarHBondContact O-N 2.89Å; Y167-D174 PolarHBondContact O-N 3.01Å; Y167-D174 VanDerWaalsContact O-N 3.16Å; Y167-S175 WeakPolarHBondContact CE2-OG 3.41Å; Y167-S175 PolarHBondContact N-O 3.15Å; Y167-S176 PolarHBondContact OH-O 3.01Å; Y167-S176 VanDerWaalsContact OH-O 3.08Å; Y167-A177 HydrophobicContact CE1-CB 4.43Å; Y167-A177 WeakPolarHBondContact OH-CA 3.43Å; Y167-A177 PolarHBondContact OH-N 3.43Å; Y167-L282 HydrophobicContact CD2-CD1 3.73Å; Y167-L282 HydrophobicContact CE1-CD1 4.45Å; Y167-L282 HydrophobicContact CE2-CD1 3.28Å; Y167-E286 WeakPolarHBondContact CB-OE2 3.37Å; Y167-E286 HydrophobicContact CD1-CB 4.06Å; Y167-E286 HydrophobicContact CD1-CG 4.41Å; Y167-M287 WeakPolarHBondContact CE1-O 3.22Å; Y167-M287 PolarHBondContact OH-O 3.27Å; Y167-M287 VanDerWaalsContact OH-O 3.09Å
168	K	87.4	Confident	91.7	Very high	116 Å²	116	43.1 Å²	43.1	50%	0.504	20%	0.2	S	C	.	.			trans	-99.2	118.6	177.2	173.3	177.4	-178.5	-172.4	0	110.6	R170 S171	K168-R170 WeakPolarHBondContact CE-O 3.42Å; K168-S171 WeakPolarHBondContact CA-O 3.24Å; K168-S171 WeakPolarHBondContact CG-O 3.38Å
169	R	84.7	Confident	91.6	Very high	61 Å²	61	40 Å²	40	23%	0.23	19%	0.186	C	C	.	.	S	Bend	trans	-102.7	-36.8	164.4	-170.3	176.7	-72.4	-91.6	4.4	111.6	V108 D174 S175 H180 E185 G288	V108-R169 HydrophobicContact CG1-CB 3.85Å; V108-R169 HydrophobicContact CG1-CG 3.9Å; R169-D174 PolarHBondContact N-OD1 3.41Å; R169-S175 PolarHBondContact NE-OG 2.95Å; R169-H180 PolarHBondContact NH2-ND1 3.2Å; R169-E185 IonicContact NE-OE2 2.85Å; R169-G288 PolarHBondContact NH2-O 3.48Å
170	R	82.2	Confident	91.4	Very high	129 Å²	129	40.7 Å²	40.7	49%	0.487	19%	0.189	S	C	.	.	S	Bend	trans	-131.7	-50.7	168.1	-72.4	-64.2	-149.4	176.8	8.3	112.3	V108 K168 D174	V108-R170 HydrophobicContact CB-CG 4.49Å; V108-R170 HydrophobicContact CG1-CB 3.88Å; V108-R170 HydrophobicContact CG1-CG 3.54Å; K168-R170 WeakPolarHBondContact CE-O 3.42Å; R170-D174 WeakPolarHBondContact CA-OD2 3.18Å; R170-D174 WeakPolarHBondContact CB-OD2 3.33Å; R170-D174 PolarHBondContact N-OD1 2.85Å; R170-D174 PolarHBondContact N-OD2 2.97Å
171	S	76.9	Confident	91.4	Very high	37 Å²	37	38.6 Å²	38.6	26%	0.259	18%	0.18	S	C	.	.	S	Bend	trans	-112.9	159.1	178.1	-65.3	0	0	0	0	110.2	G109 K168 K173 D174	G109-S171 WeakPolarHBondContact CA-OG 3.48Å; G109-S171 WeakPolarHBondContact O-CB 3.27Å; G109-S171 PolarHBondContact O-OG 3.21Å; K168-S171 WeakPolarHBondContact CA-O 3.24Å; K168-S171 WeakPolarHBondContact CG-O 3.38Å; S171-K173 PolarHBondContact O-N 3.31Å; S171-D174 PolarHBondContact N-OD2 2.81Å; S171-D174 WeakPolarHBondContact O-CB 3.48Å
172	P	81.4	Confident	91.5	Very high	88 Å²	88	34.4 Å²	34.4	57%	0.571	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	131.2	175.5	-23.7	34.5	0	0	0	111.7	T111 D174	T111-P172 PolarHBondContact OG1-O 3.26Å; P172-D174 VanDerWaalsContact C-N 3.33Å; P172-D174 PolarHBondContact O-N 3.05Å
173	K	83.8	Confident	91.4	Very high	131 Å²	131	34 Å²	34	57%	0.57	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	44.3	174.2	-55.5	179.6	179.5	-177.9	0	113.1	T111 E112 R166 Y167 S171	T111-K173 HydrophobicContact CG2-CB 4.38Å; E112-K173 PolarHBondContact N-O 2.64Å; E112-K173 VanDerWaalsContact N-O 3.09Å; R166-K173 HydrophobicContact CB-CB 3.91Å; R166-K173 HydrophobicContact CB-CG 4.32Å; Y167-K173 VanDerWaalsContact O-CA 3.27Å; Y167-K173 WeakPolarHBondContact O-CA 3.49Å; Y167-K173 PolarHBondContact O-N 2.89Å; S171-K173 PolarHBondContact O-N 3.31Å
174	D	85	Confident	91.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.			trans	-107.2	6	-176.6	74.1	-30.6	0	0	0	113.5	V108 G109 V110 Y167 R169 R170 S171 P172	V108-D174 WeakPolarHBondContact CG1-OD2 3.36Å; G109-D174 VanDerWaalsContact CA-OD2 3.28Å; G109-D174 WeakPolarHBondContact CA-OD2 3.44Å; G109-D174 PolarHBondContact N-OD2 3.15Å; V110-D174 WeakPolarHBondContact O-CA 3.45Å; V110-D174 WeakPolarHBondContact O-CB 3.3Å; Y167-D174 PolarHBondContact O-N 3.01Å; Y167-D174 VanDerWaalsContact O-N 3.16Å; R169-D174 PolarHBondContact N-OD1 3.41Å; R170-D174 WeakPolarHBondContact CA-OD2 3.18Å; R170-D174 WeakPolarHBondContact CB-OD2 3.33Å; R170-D174 PolarHBondContact N-OD1 2.85Å; R170-D174 PolarHBondContact N-OD2 2.97Å; S171-D174 PolarHBondContact N-OD2 2.81Å; S171-D174 WeakPolarHBondContact O-CB 3.48Å; P172-D174 VanDerWaalsContact C-N 3.33Å; P172-D174 PolarHBondContact O-N 3.05Å
175	S	91.9	Very high	91	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-161.2	157.3	-176.3	-174.6	0	0	0	0	109.6	R166 Y167 R169 E179 E185	R166-S175 CarbonylContact C-O 3.53Å; R166-S175 VanDerWaalsContact CA-O 3.23Å; R166-S175 WeakPolarHBondContact CA-O 2.93Å; Y167-S175 WeakPolarHBondContact CE2-OG 3.41Å; Y167-S175 PolarHBondContact N-O 3.15Å; R169-S175 PolarHBondContact NE-OG 2.95Å; S175-E179 WeakPolarHBondContact CA-OE2 3.43Å; S175-E185 WeakPolarHBondContact CB-OE1 3.37Å; S175-E185 PolarHBondContact OG-OE1 2.91Å
176	S	94.9	Very high	90.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.			trans	-141.5	167.4	166.7	63.6	0	0	0	0	110.1	Y167 F178 E179 H180	Y167-S176 PolarHBondContact OH-O 3.01Å; Y167-S176 VanDerWaalsContact OH-O 3.08Å; S176-F178 VanDerWaalsContact C-N 3.3Å; S176-F178 PolarHBondContact O-N 2.98Å; S176-E179 PolarHBondContact N-OE2 3.46Å; S176-E179 PolarHBondContact O-N 3.36Å; S176-E179 WeakPolarHBondContact OG-CB 3.43Å; S176-E179 PolarHBondContact OG-N 3.03Å; S176-H180 WeakPolarHBondContact O-CB 3.49Å; S176-H180 PolarHBondContact O-N 3.41Å
177	A	96.7	Very high	90.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-38.9	178.5	0	0	0	0	0	110.9	L162 W163 Y167 V181 M287	L162-A177 WeakPolarHBondContact O-CB 3.34Å; W163-A177 HydrophobicContact CE3-CB 4.06Å; W163-A177 HydrophobicContact CZ3-CB 4.46Å; W163-A177 PolarHBondContact O-N 3.05Å; Y167-A177 HydrophobicContact CE1-CB 4.43Å; Y167-A177 WeakPolarHBondContact OH-CA 3.43Å; Y167-A177 PolarHBondContact OH-N 3.43Å; A177-V181 WeakPolarHBondContact O-CB 3.32Å; A177-V181 WeakPolarHBondContact O-CG2 3.46Å; A177-V181 PolarHBondContact O-N 3.24Å; A177-M287 HydrophobicContact CB-CB 4.01Å; A177-M287 HydrophobicContact CB-CE 3.73Å; A177-M287 HydrophobicContact CB-CG 4.39Å; A177-M287 WeakPolarHBondContact CB-O 3.48Å
178	F	97.8	Very high	90.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-49.4	176.1	-177.5	-87.6	0	0	0	111.5	F97 L100 L101 Y104 F125 W163 F164 S176 H180 V181 F182 V183	F97-F178 AromaticContact CD2-CE2 3.76Å; F97-F178 HydrophobicContact CD2-CE2 3.76Å; F97-F178 AromaticContact CD2-CZ 3.85Å; F97-F178 HydrophobicContact CD2-CZ 3.85Å; F97-F178 AromaticContact CE2-CE2 3.56Å; F97-F178 HydrophobicContact CE2-CE2 3.56Å; F97-F178 AromaticContact CE2-CZ 3.63Å; F97-F178 HydrophobicContact CE2-CZ 3.63Å; F97-F178 HydrophobicContact CZ-CZ 4.36Å; L100-F178 HydrophobicContact CB-CE1 3.78Å; L100-F178 HydrophobicContact CB-CZ 3.7Å; L100-F178 HydrophobicContact CD1-CE1 4.38Å; L100-F178 HydrophobicContact CD1-CE2 3.89Å; L100-F178 HydrophobicContact CD1-CZ 3.72Å; L100-F178 HydrophobicContact CG-CZ 4.38Å; L101-F178 HydrophobicContact CD2-CE1 4.21Å; L101-F178 HydrophobicContact CD2-CZ 4.22Å; Y104-F178 AromaticContact CE2-CD1 3.63Å; Y104-F178 HydrophobicContact CE2-CD1 3.63Å; Y104-F178 AromaticContact CE2-CE1 3.73Å; Y104-F178 HydrophobicContact CE2-CE1 3.73Å; Y104-F178 AromaticContact CZ-CD1 3.61Å; Y104-F178 WeakPolarHBondContact OH-CD1 3.45Å; F125-F178 HydrophobicContact CE1-CE2 4.34Å; W163-F178 HydrophobicContact CB-CB 4.45Å; W163-F178 HydrophobicContact CE3-CB 4.43Å; W163-F178 VanDerWaalsContact O-CB 3.27Å; W163-F178 WeakPolarHBondContact O-CB 3.35Å; W163-F178 PolarHBondContact O-N 3.22Å; F164-F178 HydrophobicContact CD1-CB 3.82Å; F164-F178 HydrophobicContact CD1-CD2 4.4Å; F164-F178 HydrophobicContact CD1-CG 4.03Å; F164-F178 HydrophobicContact CE1-CB 3.71Å; F164-F178 HydrophobicContact CE1-CD1 4.03Å; F164-F178 AromaticContact CE1-CD2 3.44Å; F164-F178 HydrophobicContact CE1-CD2 3.44Å; F164-F178 VanDerWaalsContact CE1-CD2 3.44Å; F164-F178 HydrophobicContact CE1-CE2 4.02Å; F164-F178 AromaticContact CE1-CG 3.44Å; F164-F178 HydrophobicContact CE1-CG 3.44Å; F164-F178 VanDerWaalsContact CE1-CG 3.44Å; F164-F178 AromaticContact CZ-CD2 3.9Å; F164-F178 HydrophobicContact CZ-CD2 3.9Å; F164-F178 HydrophobicContact CZ-CE2 4.3Å; F164-F178 HydrophobicContact CZ-CG 4.34Å; S176-F178 VanDerWaalsContact C-N 3.3Å; S176-F178 PolarHBondContact O-N 2.98Å; F178-H180 PolarHBondContact O-N 3.08Å; F178-V181 PolarHBondContact O-N 3.35Å; F178-F182 AromaticContact CD2-CD2 3.54Å; F178-F182 HydrophobicContact CD2-CD2 3.54Å; F178-F182 HydrophobicContact CD2-CE2 4.18Å; F178-F182 HydrophobicContact CD2-CG 4.34Å; F178-F182 HydrophobicContact CE1-CB 4.38Å; F178-F182 HydrophobicContact CE2-CB 4.32Å; F178-F182 AromaticContact CE2-CD2 3.86Å; F178-F182 HydrophobicContact CE2-CD2 3.86Å; F178-F182 HydrophobicContact CE2-CG 4.27Å; F178-F182 HydrophobicContact CG-CD2 4.07Å; F178-F182 HydrophobicContact CZ-CB 4.25Å; F178-F182 WeakPolarHBondContact O-CA 3.41Å; F178-F182 VanDerWaalsContact O-CB 3.32Å; F178-F182 WeakPolarHBondContact O-CB 3.49Å; F178-F182 PolarHBondContact O-N 3.4Å; F178-V183 HydrophobicContact CD1-CG2 3.96Å; F178-V183 HydrophobicContact CE1-CG2 3.77Å
179	E	95.8	Very high	90.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-58.1	-50.5	179.4	-176.4	-179.8	176.2	0	0	111.7	Y104 S175 S176 V183 G184 E185	Y104-E179 HydrophobicContact CD1-CB 3.67Å; Y104-E179 HydrophobicContact CD1-CG 3.74Å; Y104-E179 HydrophobicContact CE1-CB 3.93Å; Y104-E179 HydrophobicContact CE1-CG 4.49Å; Y104-E179 HydrophobicContact CG-CB 4.23Å; Y104-E179 HydrophobicContact CG-CG 4.01Å; S175-E179 WeakPolarHBondContact CA-OE2 3.43Å; S176-E179 PolarHBondContact N-OE2 3.46Å; S176-E179 PolarHBondContact O-N 3.36Å; S176-E179 WeakPolarHBondContact OG-CB 3.43Å; S176-E179 PolarHBondContact OG-N 3.03Å; E179-V183 HydrophobicContact CG-CB 4.4Å; E179-V183 WeakPolarHBondContact O-CA 3.17Å; E179-V183 WeakPolarHBondContact O-CB 3.41Å; E179-V183 PolarHBondContact O-N 3.12Å; E179-G184 PolarHBondContact O-N 3.38Å; E179-E185 HydrophobicContact CG-CG 3.96Å
180	H	95.6	Very high	90.5	Very high	13 Å²	13	40.6 Å²	40.6	6%	0.06	20%	0.2	C	C	.	.	I	π-helix	trans	-59.8	-56.3	177.6	-174.3	83.1	0	0	0	111.4	R169 S176 F178 E185 G193 L194 G288 T289	R169-H180 PolarHBondContact NH2-ND1 3.2Å; S176-H180 WeakPolarHBondContact O-CB 3.49Å; S176-H180 PolarHBondContact O-N 3.41Å; F178-H180 PolarHBondContact O-N 3.08Å; H180-E185 WeakPolarHBondContact CB-OE2 3.48Å; H180-E185 IonicContact CE1-OE2 2.82Å; H180-E185 IonicContact CG-OE2 2.91Å; H180-E185 IonicContact ND1-OE2 3.29Å; H180-E185 PolarHBondContact ND1-OE2 3.28Å; H180-G193 CarbonylContact O-C 3.59Å; H180-G193 WeakPolarHBondContact O-CA 3.32Å; H180-L194 PolarHBondContact O-N 2.65Å; H180-G288 PolarHBondContact CD2-O 3.41Å; H180-T289 VanDerWaalsContact CD2-CB 3.43Å; H180-T289 WeakPolarHBondContact CD2-CB 3.39Å; H180-T289 PolarHBondContact CD2-OG1 2.95Å; H180-T289 WeakPolarHBondContact NE2-CB 3.31Å; H180-T289 PolarHBondContact NE2-OG1 3.39Å
181	V	97.5	Very high	90.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-69.8	-42.6	-171.7	174.5	0	0	0	0	111.9	W163 A177 F178 L194 H195 Y254 C290	W163-V181 HydrophobicContact CZ3-CB 4.17Å; W163-V181 HydrophobicContact CZ3-CG1 4.4Å; W163-V181 HydrophobicContact CZ3-CG2 4.25Å; A177-V181 WeakPolarHBondContact O-CB 3.32Å; A177-V181 WeakPolarHBondContact O-CG2 3.46Å; A177-V181 PolarHBondContact O-N 3.24Å; F178-V181 PolarHBondContact O-N 3.35Å; V181-L194 WeakPolarHBondContact O-CA 3.23Å; V181-L194 PolarHBondContact O-N 2.74Å; V181-H195 PolarHBondContact O-N 3.33Å; V181-Y254 HydrophobicContact CG1-CD2 4.02Å; V181-Y254 HydrophobicContact CG1-CE2 3.95Å; V181-C290 WeakPolarHBondContact CG1-O 3.38Å
182	F	98	Very high	91.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-106.1	-39.8	-167.3	-64.7	-70.1	0	0	0	114.6	F97 W163 F178 L194 N196 Q199 D250 I251 Y254	F97-F182 HydrophobicContact CE2-CB 3.97Å; F97-F182 AromaticContact CE2-CD1 3.75Å; F97-F182 HydrophobicContact CE2-CD1 3.75Å; F97-F182 HydrophobicContact CE2-CD2 4.33Å; F97-F182 HydrophobicContact CE2-CE1 4.35Å; F97-F182 AromaticContact CE2-CG 3.76Å; F97-F182 HydrophobicContact CE2-CG 3.76Å; F97-F182 HydrophobicContact CZ-CB 3.82Å; F97-F182 AromaticContact CZ-CD1 3.74Å; F97-F182 HydrophobicContact CZ-CD1 3.74Å; F97-F182 AromaticContact CZ-CG 3.94Å; F97-F182 HydrophobicContact CZ-CG 3.94Å; W163-F182 HydrophobicContact CE3-CD2 4.39Å; W163-F182 AromaticContact CE3-CE2 3.82Å; W163-F182 HydrophobicContact CE3-CE2 3.82Å; W163-F182 AromaticContact CH2-CE2 3.7Å; W163-F182 HydrophobicContact CH2-CE2 3.7Å; W163-F182 HydrophobicContact CH2-CZ 4.08Å; W163-F182 HydrophobicContact CZ2-CE2 4.5Å; W163-F182 HydrophobicContact CZ3-CD2 4.07Å; W163-F182 AromaticContact CZ3-CE2 3.32Å; W163-F182 HydrophobicContact CZ3-CE2 3.32Å; W163-F182 HydrophobicContact CZ3-CZ 4.15Å; F178-F182 AromaticContact CD2-CD2 3.54Å; F178-F182 HydrophobicContact CD2-CD2 3.54Å; F178-F182 HydrophobicContact CD2-CE2 4.18Å; F178-F182 HydrophobicContact CD2-CG 4.34Å; F178-F182 HydrophobicContact CE1-CB 4.38Å; F178-F182 HydrophobicContact CE2-CB 4.32Å; F178-F182 AromaticContact CE2-CD2 3.86Å; F178-F182 HydrophobicContact CE2-CD2 3.86Å; F178-F182 HydrophobicContact CE2-CG 4.27Å; F178-F182 HydrophobicContact CG-CD2 4.07Å; F178-F182 HydrophobicContact CZ-CB 4.25Å; F178-F182 WeakPolarHBondContact O-CA 3.41Å; F178-F182 VanDerWaalsContact O-CB 3.32Å; F178-F182 WeakPolarHBondContact O-CB 3.49Å; F178-F182 PolarHBondContact O-N 3.4Å; F182-L194 WeakPolarHBondContact O-CD1 3.5Å; F182-N196 HydrophobicContact CD1-CB 3.58Å; F182-N196 HydrophobicContact CE1-CB 4.26Å; F182-Q199 WeakPolarHBondContact O-CB 3.3Å; F182-Q199 WeakPolarHBondContact O-CG 3.43Å; F182-D250 HydrophobicContact CE1-CB 3.81Å; F182-D250 HydrophobicContact CZ-CB 4.07Å; F182-I251 HydrophobicContact CD2-CD1 4.46Å; F182-I251 HydrophobicContact CE2-CD1 3.44Å; F182-I251 VanDerWaalsContact CE2-CD1 3.44Å; F182-I251 HydrophobicContact CE2-CG1 4.35Å; F182-I251 HydrophobicContact CZ-CD1 3.73Å; F182-I251 HydrophobicContact CZ-CG1 4.17Å; F182-Y254 HydrophobicContact CE1-CE2 4.26Å; F182-Y254 AromaticContact CZ-CD2 3.97Å; F182-Y254 HydrophobicContact CZ-CD2 3.97Å; F182-Y254 HydrophobicContact CZ-CE2 4.19Å
183	V	96.5	Very high	92.3	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.03	16%	0.155	C	C	.	.	I	π-helix	trans	-82.3	-42.4	-175.7	-176.7	0	0	0	0	110.8	L101 Y104 F178 E179 Q199	L101-V183 HydrophobicContact CD2-CG2 4.04Å; Y104-V183 HydrophobicContact CD2-CG2 3.64Å; Y104-V183 HydrophobicContact CE2-CG2 4.01Å; Y104-V183 HydrophobicContact CG-CG2 4.2Å; F178-V183 HydrophobicContact CD1-CG2 3.96Å; F178-V183 HydrophobicContact CE1-CG2 3.77Å; E179-V183 HydrophobicContact CG-CB 4.4Å; E179-V183 WeakPolarHBondContact O-CA 3.17Å; E179-V183 WeakPolarHBondContact O-CB 3.41Å; E179-V183 PolarHBondContact O-N 3.12Å; V183-Q199 PolarHBondContact O-NE2 3.03Å
184	G	93.5	Very high	92.9	Very high	8 Å²	8	25.6 Å²	25.6	8%	0.082	13%	0.129	C	C	.	.			trans	91.2	137.7	-170.5	0	0	0	0	0	111.8	E179	E179-G184 PolarHBondContact O-N 3.38Å
185	E	92.9	Very high	93.5	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	168.4	179	-63.3	173.1	129.5	0	0	109.2	P106 V108 R169 S175 E179 H180 L192	P106-E185 CarbonylContact O-C 3.58Å; P106-E185 VanDerWaalsContact O-CA 3.24Å; P106-E185 WeakPolarHBondContact O-CA 3.4Å; V108-E185 HydrophobicContact CG2-CB 3.75Å; V108-E185 HydrophobicContact CG2-CG 4.23Å; R169-E185 IonicContact NE-OE2 2.85Å; S175-E185 WeakPolarHBondContact CB-OE1 3.37Å; S175-E185 PolarHBondContact OG-OE1 2.91Å; E179-E185 HydrophobicContact CG-CG 3.96Å; H180-E185 WeakPolarHBondContact CB-OE2 3.48Å; H180-E185 IonicContact CE1-OE2 2.82Å; H180-E185 IonicContact CG-OE2 2.91Å; H180-E185 IonicContact ND1-OE2 3.29Å; H180-E185 PolarHBondContact ND1-OE2 3.28Å; E185-L192 HydrophobicContact CB-CB 4.31Å; E185-L192 PolarHBondContact N-O 3.07Å; E185-L192 PolarHBondContact O-N 3.15Å; E185-L192 VanDerWaalsContact O-O 3.07Å
186	H	89.9	Confident	93.8	Very high	11 Å²	11	26.1 Å²	26.1	5%	0.051	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.1	164.3	66.8	81.9	0	0	0	111.5	P106 V108 D190 N232 Y234	P106-H186 PolarHBondContact O-CD2 3.27Å; P106-H186 PolarHBondContact O-N 3.28Å; V108-H186 PolarHBondContact N-O 2.97Å; V108-H186 VanDerWaalsContact N-O 3.13Å; H186-D190 CarbonylContact C-O 3.34Å; H186-D190 WeakPolarHBondContact CA-O 3.47Å; H186-D190 WeakPolarHBondContact CB-O 3.41Å; H186-N232 PolarHBondContact NE2-ND2 3.4Å; H186-Y234 HydrophobicContact CB-CD2 3.87Å; H186-Y234 HydrophobicContact CB-CE2 4.39Å; H186-Y234 AromaticContact CE1-CE2 3.81Å; H186-Y234 AromaticContact CG-CD2 3.79Å; H186-Y234 AromaticContact CG-CE2 3.87Å; H186-Y234 AromaticContact ND1-CD2 3.87Å; H186-Y234 AromaticContact ND1-CE2 3.48Å; H186-Y234 WeakPolarHBondContact ND1-CE2 3.39Å
187	K	85.7	Confident	93.9	Very high	73 Å²	73	26.2 Å²	26.2	32%	0.317	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.3	176.9	175.8	-173.7	173	178	0	107.7	F189 D190 L192	K187-F189 PolarHBondContact O-N 2.91Å; K187-F189 VanDerWaalsContact O-N 3.09Å; K187-D190 PolarHBondContact N-O 3.29Å; K187-D190 PolarHBondContact O-N 2.78Å; K187-L192 HydrophobicContact CB-CD1 3.74Å; K187-L192 HydrophobicContact CB-CG 4.43Å; K187-L192 HydrophobicContact CD-CD1 4.44Å
188	N	87	Confident	94	Very high	106 Å²	106	26.2 Å²	26.2	57%	0.567	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	-115.8	-168.6	-52.7	-31.2	0	0	0	109.3	Y234	N188-Y234 WeakPolarHBondContact O-CE2 3.31Å
189	F	87.9	Confident	94.1	Very high	149 Å²	149	26.8 Å²	26.8	65%	0.654	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	5.7	179.8	-52.1	-71.3	0	0	0	113.5	K187 Y234	K187-F189 PolarHBondContact O-N 2.91Å; K187-F189 VanDerWaalsContact O-N 3.09Å; F189-Y234 HydrophobicContact CB-CD1 4.21Å; F189-Y234 HydrophobicContact CB-CE1 4.49Å; F189-Y234 AromaticContact CD1-CD1 3.97Å; F189-Y234 HydrophobicContact CD1-CD1 3.97Å; F189-Y234 AromaticContact CD1-CE1 3.47Å; F189-Y234 HydrophobicContact CD1-CE1 3.47Å; F189-Y234 VanDerWaalsContact CD1-CE1 3.47Å; F189-Y234 HydrophobicContact CE1-CE1 4.17Å; F189-Y234 HydrophobicContact CG-CE1 4.44Å; F189-Y234 VanDerWaalsContact O-CB 3.31Å; F189-Y234 WeakPolarHBondContact O-CB 3.46Å
190	D	88.6	Confident	94.2	Very high	100 Å²	100	26.8 Å²	26.8	54%	0.535	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.3	-177.7	-61.5	-44.6	0	0	0	110.5	H186 K187	H186-D190 CarbonylContact C-O 3.34Å; H186-D190 WeakPolarHBondContact CA-O 3.47Å; H186-D190 WeakPolarHBondContact CB-O 3.41Å; K187-D190 PolarHBondContact N-O 3.29Å; K187-D190 PolarHBondContact O-N 2.78Å
191	V	91.9	Very high	94.3	Very high	14 Å²	14	27.4 Å²	27.4	9%	0.085	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.1	171.4	-178.9	0	0	0	0	109.6	Y228 N230 Y234 K236	V191-Y228 HydrophobicContact CG1-CE2 3.98Å; V191-N230 HydrophobicContact CG2-CB 4.24Å; V191-Y234 WeakPolarHBondContact CG2-O 3.48Å; V191-K236 HydrophobicContact CB-CB 3.91Å; V191-K236 HydrophobicContact CB-CG 4.42Å; V191-K236 HydrophobicContact CG1-CB 4.14Å; V191-K236 HydrophobicContact CG1-CD 4.17Å
192	L	91.8	Very high	94.4	Very high	46 Å²	46	28.6 Å²	28.6	24%	0.241	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.7	-179.2	-55	180	0	0	0	109.9	E185 K187	E185-L192 HydrophobicContact CB-CB 4.31Å; E185-L192 PolarHBondContact N-O 3.07Å; E185-L192 PolarHBondContact O-N 3.15Å; E185-L192 VanDerWaalsContact O-O 3.07Å; K187-L192 HydrophobicContact CB-CD1 3.74Å; K187-L192 HydrophobicContact CB-CG 4.43Å; K187-L192 HydrophobicContact CD-CD1 4.44Å
193	G	94.6	Very high	94.4	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	15%	0.147	C	C	.	.			trans	65.3	-149.6	170.3	0	0	0	0	0	113.6	H180 K236	H180-G193 CarbonylContact O-C 3.59Å; H180-G193 WeakPolarHBondContact O-CA 3.32Å; G193-K236 PolarHBondContact O-NZ 2.91Å
194	L	97.1	Very high	94.4	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	15%	0.147	C	C	.	.			trans	57.7	76.3	-172.4	-174.7	58.6	0	0	0	112.1	H180 V181 F182 Q199 K203 L209 Y228	H180-L194 PolarHBondContact O-N 2.65Å; V181-L194 WeakPolarHBondContact O-CA 3.23Å; V181-L194 PolarHBondContact O-N 2.74Å; F182-L194 WeakPolarHBondContact O-CD1 3.5Å; L194-Q199 HydrophobicContact CD1-CB 3.69Å; L194-Q199 HydrophobicContact CD1-CG 3.46Å; L194-Q199 VanDerWaalsContact CD1-CG 3.46Å; L194-K203 HydrophobicContact CD2-CD 4.28Å; L194-L209 HydrophobicContact CD2-CD1 3.74Å; L194-Y228 HydrophobicContact CD2-CE2 4.16Å
195	H	97.3	Very high	94.6	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.056	17%	0.167	C	C	.	.			trans	-112.7	26.7	177.8	-68.5	-77.8	0	0	0	112.1	V181 S240 Y291	V181-H195 PolarHBondContact O-N 3.33Å; H195-S240 WeakPolarHBondContact CA-O 3.1Å; H195-S240 PolarHBondContact ND1-O 2.8Å; H195-S240 PolarHBondContact ND1-OG 3.29Å; H195-Y291 AromaticContact CE1-CD1 3.78Å; H195-Y291 AromaticContact CE1-CD2 3.65Å; H195-Y291 AromaticContact CE1-CG 3.49Å; H195-Y291 VanDerWaalsContact CE1-CG 3.49Å; H195-Y291 VanDerWaalsContact CG-CB 3.43Å; H195-Y291 AromaticContact CG-CG 3.9Å; H195-Y291 AromaticContact ND1-CD2 3.74Å; H195-Y291 AromaticContact ND1-CG 3.59Å; H195-Y291 AromaticContact NE2-CD1 3.74Å; H195-Y291 AromaticContact NE2-CG 3.84Å
196	N	98.2	Very high	94.8	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.			trans	-132.7	134.5	-176.2	176	-92.7	0	0	0	112.6	F97 F182 I198 Q199 F200 D250	F97-N196 WeakPolarHBondContact CE1-OD1 3.3Å; F182-N196 HydrophobicContact CD1-CB 3.58Å; F182-N196 HydrophobicContact CE1-CB 4.26Å; N196-I198 VanDerWaalsContact OD1-CB 3.32Å; N196-I198 WeakPolarHBondContact OD1-CB 3.4Å; N196-I198 PolarHBondContact OD1-N 3.29Å; N196-Q199 PolarHBondContact OD1-N 3.39Å; N196-F200 WeakPolarHBondContact O-CB 3.21Å; N196-F200 PolarHBondContact O-N 2.77Å; N196-D250 PolarHBondContact ND2-OD2 3.39Å
197	W	98.5	Very high	95.2	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-74.4	-28.7	-172.1	73.3	-94.1	0	0	0	113	V51 F80 I83 L88 F94 F200 Y201 V243 S245	V51-W197 HydrophobicContact CG1-CH2 4.4Å; V51-W197 HydrophobicContact CG1-CZ2 4.42Å; V51-W197 HydrophobicContact CG2-CH2 3.65Å; V51-W197 HydrophobicContact CG2-CZ2 3.49Å; V51-W197 VanDerWaalsContact CG2-CZ2 3.49Å; F80-W197 HydrophobicContact CE1-CE3 4.06Å; F80-W197 HydrophobicContact CZ-CB 3.93Å; F80-W197 HydrophobicContact CZ-CE3 4.2Å; I83-W197 HydrophobicContact CD1-CE3 4.35Å; I83-W197 HydrophobicContact CD1-CZ3 3.78Å; I83-W197 HydrophobicContact CG1-CZ3 4.48Å; I83-W197 HydrophobicContact CG2-CZ3 4.47Å; L88-W197 HydrophobicContact CD2-CH2 4.21Å; F94-W197 HydrophobicContact CE1-CH2 4.07Å; F94-W197 AromaticContact CE1-CZ2 3.71Å; F94-W197 HydrophobicContact CE1-CZ2 3.71Å; F94-W197 HydrophobicContact CZ-CZ2 4.31Å; W197-F200 PolarHBondContact O-N 3.37Å; W197-Y201 WeakPolarHBondContact O-CB 3.24Å; W197-Y201 PolarHBondContact O-N 3.2Å; W197-V243 HydrophobicContact CB-CB 4.38Å; W197-V243 HydrophobicContact CB-CG1 4.32Å; W197-V243 HydrophobicContact CB-CG2 4.2Å; W197-V243 HydrophobicContact CG-CG1 4.36Å; W197-S245 PolarHBondContact NE1-O 3.45Å
198	I	98.6	Very high	95.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-51	-179.6	-56.4	169.2	0	0	0	109.2	L88 F94 F97 I98 N196 F200 Y201 L202 P247	L88-I198 HydrophobicContact CD2-CG2 4.37Å; F94-I198 HydrophobicContact CD1-CD1 3.65Å; F94-I198 HydrophobicContact CD1-CG1 4.43Å; F94-I198 HydrophobicContact CE1-CD1 3.62Å; F94-I198 HydrophobicContact CE1-CG1 4.24Å; F94-I198 HydrophobicContact CZ-CD1 4.49Å; F97-I198 HydrophobicContact CD1-CD1 4.06Å; F97-I198 HydrophobicContact CD1-CG2 4.36Å; F97-I198 HydrophobicContact CE1-CB 4.09Å; F97-I198 HydrophobicContact CE1-CD1 4.14Å; F97-I198 HydrophobicContact CE1-CG2 4.31Å; I98-I198 HydrophobicContact CD1-CG2 4.07Å; I98-I198 HydrophobicContact CG1-CG2 3.89Å; N196-I198 VanDerWaalsContact OD1-CB 3.32Å; N196-I198 WeakPolarHBondContact OD1-CB 3.4Å; N196-I198 PolarHBondContact OD1-N 3.29Å; I198-F200 VanDerWaalsContact C-N 3.33Å; I198-F200 PolarHBondContact O-N 3.08Å; I198-Y201 WeakPolarHBondContact O-CB 3.15Å; I198-Y201 PolarHBondContact O-N 2.71Å; I198-L202 HydrophobicContact CG2-CD1 4.11Å; I198-L202 VanDerWaalsContact O-CG 3.31Å; I198-L202 WeakPolarHBondContact O-CG 3.47Å; I198-L202 PolarHBondContact O-N 3.43Å; I198-P247 HydrophobicContact CD1-CG 3.79Å
199	Q	98.3	Very high	96.2	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-37.8	177.3	178.7	67.8	-30.5	0	0	111.8	L101 F182 V183 L194 N196 Y201 L202 K203	L101-Q199 HydrophobicContact CD1-CB 4.18Å; L101-Q199 HydrophobicContact CD2-CB 4.33Å; F182-Q199 WeakPolarHBondContact O-CB 3.3Å; F182-Q199 WeakPolarHBondContact O-CG 3.43Å; V183-Q199 PolarHBondContact O-NE2 3.03Å; L194-Q199 HydrophobicContact CD1-CB 3.69Å; L194-Q199 HydrophobicContact CD1-CG 3.46Å; L194-Q199 VanDerWaalsContact CD1-CG 3.46Å; N196-Q199 PolarHBondContact OD1-N 3.39Å; Q199-Y201 PolarHBondContact O-N 3.45Å; Q199-L202 PolarHBondContact O-N 3.36Å; Q199-K203 HydrophobicContact CG-CD 4.3Å; Q199-K203 HydrophobicContact CG-CG 4.48Å; Q199-K203 WeakPolarHBondContact O-CB 3.37Å; Q199-K203 WeakPolarHBondContact O-CG 3.37Å; Q199-K203 PolarHBondContact O-N 2.52Å
200	F	98.4	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.2	-50.4	174.1	-162.9	-73.1	0	0	0	111	L79 F80 N196 W197 I198 L202 K203 E204 L209 F211 V226 Y228 V241	L79-F200 HydrophobicContact CB-CE1 4.02Å; L79-F200 HydrophobicContact CD2-CD1 4.16Å; L79-F200 HydrophobicContact CD2-CE1 3.71Å; L79-F200 HydrophobicContact CD2-CZ 4.16Å; F80-F200 HydrophobicContact CD2-CD1 4.12Å; F80-F200 HydrophobicContact CE2-CB 4.22Å; F80-F200 AromaticContact CE2-CD1 3.71Å; F80-F200 HydrophobicContact CE2-CD1 3.71Å; F80-F200 HydrophobicContact CE2-CG 4.31Å; N196-F200 WeakPolarHBondContact O-CB 3.21Å; N196-F200 PolarHBondContact O-N 2.77Å; W197-F200 PolarHBondContact O-N 3.37Å; I198-F200 VanDerWaalsContact C-N 3.33Å; I198-F200 PolarHBondContact O-N 3.08Å; F200-L202 PolarHBondContact O-N 3.11Å; F200-K203 PolarHBondContact O-N 3.1Å; F200-E204 HydrophobicContact CD1-CG 3.92Å; F200-E204 HydrophobicContact CE1-CG 3.85Å; F200-E204 PolarHBondContact O-N 2.94Å; F200-L209 HydrophobicContact CD1-CD1 4.36Å; F200-L209 HydrophobicContact CD1-CD2 3.99Å; F200-L209 HydrophobicContact CD2-CD1 3.74Å; F200-L209 HydrophobicContact CD2-CD2 4.34Å; F200-L209 HydrophobicContact CE1-CD1 4.42Å; F200-L209 HydrophobicContact CE1-CD2 3.39Å; F200-L209 HydrophobicContact CE2-CD1 3.8Å; F200-L209 HydrophobicContact CE2-CD2 3.79Å; F200-L209 HydrophobicContact CE2-CG 4.45Å; F200-L209 HydrophobicContact CG-CD1 4.05Å; F200-L209 HydrophobicContact CG-CD2 4.44Å; F200-L209 HydrophobicContact CZ-CD1 4.17Å; F200-L209 HydrophobicContact CZ-CD2 3.29Å; F200-L209 HydrophobicContact CZ-CG 4.38Å; F200-F211 HydrophobicContact CE1-CB 4.44Å; F200-F211 HydrophobicContact CZ-CB 4.39Å; F200-F211 HydrophobicContact CZ-CD2 4.45Å; F200-V226 HydrophobicContact CE2-CG2 3.81Å; F200-V226 HydrophobicContact CZ-CG2 4.09Å; F200-Y228 AromaticContact CE2-CD1 3.59Å; F200-Y228 HydrophobicContact CE2-CD1 3.59Å; F200-Y228 AromaticContact CE2-CE1 3.88Å; F200-Y228 HydrophobicContact CE2-CE1 3.88Å; F200-Y228 HydrophobicContact CE2-CG 4.03Å; F200-Y228 HydrophobicContact CZ-CD1 4.22Å; F200-Y228 HydrophobicContact CZ-CG 4.38Å; F200-V241 HydrophobicContact CD2-CG1 4.32Å
201	Y	98.6	Very high	97.1	Very high	25 Å²	25	33.9 Å²	33.9	10%	0.098	16%	0.164	C	C	.	.	H	α-helix	trans	-57	-49.2	175.4	168	-111.6	0	0	0	112.4	F80 I83 E85 L88 W197 I198 Q199 K203 E204 K205	F80-Y201 HydrophobicContact CB-CD2 3.59Å; F80-Y201 HydrophobicContact CB-CE2 4.22Å; F80-Y201 HydrophobicContact CD2-CD2 4.17Å; F80-Y201 HydrophobicContact CD2-CG 4.46Å; F80-Y201 AromaticContact CG-CD2 3.85Å; F80-Y201 HydrophobicContact CG-CD2 3.85Å; F80-Y201 HydrophobicContact CG-CG 4.4Å; I83-Y201 HydrophobicContact CB-CD1 4.43Å; I83-Y201 HydrophobicContact CB-CD2 4.37Å; I83-Y201 HydrophobicContact CB-CE1 4.02Å; I83-Y201 HydrophobicContact CB-CE2 3.94Å; I83-Y201 HydrophobicContact CG1-CD1 3.98Å; I83-Y201 HydrophobicContact CG1-CD2 3.45Å; I83-Y201 VanDerWaalsContact CG1-CD2 3.45Å; I83-Y201 HydrophobicContact CG1-CE1 4.01Å; I83-Y201 HydrophobicContact CG1-CE2 3.46Å; I83-Y201 VanDerWaalsContact CG1-CE2 3.46Å; I83-Y201 HydrophobicContact CG1-CG 3.69Å; I83-Y201 HydrophobicContact CG2-CE1 4.25Å; E85-Y201 PolarHBondContact OE1-OH 3.47Å; L88-Y201 HydrophobicContact CD1-CD1 3.93Å; L88-Y201 HydrophobicContact CD1-CE1 3.71Å; W197-Y201 WeakPolarHBondContact O-CB 3.24Å; W197-Y201 PolarHBondContact O-N 3.2Å; I198-Y201 WeakPolarHBondContact O-CB 3.15Å; I198-Y201 PolarHBondContact O-N 2.71Å; Q199-Y201 PolarHBondContact O-N 3.45Å; Y201-K203 VanDerWaalsContact C-N 3.31Å; Y201-K203 PolarHBondContact O-N 3.47Å; Y201-E204 PolarHBondContact O-N 3Å; Y201-K205 HydrophobicContact CE1-CD 4.41Å; Y201-K205 WeakPolarHBondContact O-CB 3.39Å; Y201-K205 PolarHBondContact O-N 3.02Å
202	L	98.4	Very high	97.3	Very high	25 Å²	25	34.6 Å²	34.6	13%	0.131	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-37.5	-178.4	-69.3	175	0	0	0	112	I98 L101 I198 Q199 F200 K206	I98-L202 HydrophobicContact CD1-CD1 4.35Å; I98-L202 HydrophobicContact CG1-CD1 4.03Å; I98-L202 HydrophobicContact CG2-CD1 3.97Å; L101-L202 HydrophobicContact CD1-CD1 3.8Å; I198-L202 HydrophobicContact CG2-CD1 4.11Å; I198-L202 VanDerWaalsContact O-CG 3.31Å; I198-L202 WeakPolarHBondContact O-CG 3.47Å; I198-L202 PolarHBondContact O-N 3.43Å; Q199-L202 PolarHBondContact O-N 3.36Å; F200-L202 PolarHBondContact O-N 3.11Å; L202-K206 WeakPolarHBondContact O-CG 3.45Å; L202-K206 PolarHBondContact O-N 3.18Å; L202-K206 VanDerWaalsContact O-N 3.14Å
203	K	98	Very high	97.5	Very high	22 Å²	22	32.4 Å²	32.4	10%	0.096	16%	0.155	C	C	.	.	H	α-helix	trans	-70	-41.9	174.7	-76.4	-175.6	164.1	-74.9	0	112.2	L194 Q199 F200 Y201 K205 K206 N207 Q208 L209 E231	L194-K203 HydrophobicContact CD2-CD 4.28Å; Q199-K203 HydrophobicContact CG-CD 4.3Å; Q199-K203 HydrophobicContact CG-CG 4.48Å; Q199-K203 WeakPolarHBondContact O-CB 3.37Å; Q199-K203 WeakPolarHBondContact O-CG 3.37Å; Q199-K203 PolarHBondContact O-N 2.52Å; F200-K203 PolarHBondContact O-N 3.1Å; Y201-K203 VanDerWaalsContact C-N 3.31Å; Y201-K203 PolarHBondContact O-N 3.47Å; K203-K205 VanDerWaalsContact C-N 3.34Å; K203-K205 PolarHBondContact O-N 2.91Å; K203-K206 CarbonylContact O-C 3.57Å; K203-K206 PolarHBondContact O-N 2.68Å; K203-N207 PolarHBondContact O-N 3.13Å; K203-Q208 HydrophobicContact CB-CB 4.18Å; K203-Q208 HydrophobicContact CG-CB 4.37Å; K203-Q208 WeakPolarHBondContact O-CA 3.43Å; K203-Q208 PolarHBondContact O-N 2.83Å; K203-L209 HydrophobicContact CB-CB 3.69Å; K203-L209 HydrophobicContact CB-CD1 4.35Å; K203-L209 PolarHBondContact O-N 3.42Å; K203-E231 IonicContact NZ-OE1 3.29Å; K203-E231 PolarHBondContact NZ-OE1 2.78Å; K203-E231 IonicContact NZ-OE2 2.77Å; K203-E231 PolarHBondContact NZ-OE2 3Å
204	E	98	Very high	97.5	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.037	16%	0.159	C	C	.	.	H	α-helix	trans	-58.7	-47	172.8	-75	-162.9	131	0	0	111.1	P78 L79 F80 F200 Y201 K206 N207 L209 F211	P78-E204 WeakPolarHBondContact CA-OE1 3.47Å; P78-E204 HydrophobicContact CB-CB 4.39Å; L79-E204 PolarHBondContact N-OE1 3.05Å; L79-E204 PolarHBondContact N-OE2 2.87Å; F80-E204 WeakPolarHBondContact CD2-OE2 3.34Å; F80-E204 PolarHBondContact N-OE2 2.9Å; F80-E204 VanDerWaalsContact N-OE2 3.09Å; F200-E204 HydrophobicContact CD1-CG 3.92Å; F200-E204 HydrophobicContact CE1-CG 3.85Å; F200-E204 PolarHBondContact O-N 2.94Å; Y201-E204 PolarHBondContact O-N 3Å; E204-K206 PolarHBondContact O-N 3.43Å; E204-N207 PolarHBondContact O-N 2.92Å; E204-L209 HydrophobicContact CG-CB 4.3Å; E204-L209 HydrophobicContact CG-CD2 3.7Å; E204-F211 VanDerWaalsContact OE1-CB 3.25Å; E204-F211 WeakPolarHBondContact OE1-CB 3.47Å
205	K	97.5	Very high	97.4	Very high	114 Å²	114	34.8 Å²	34.8	50%	0.496	17%	0.165	S	C	.	.	H	α-helix	trans	-59	-33.6	178.8	-173.1	-178.7	179.4	-174.1	0	112.8	E85 Y201 K203 N207	E85-K205 WeakPolarHBondContact OE1-CE 3.37Å; E85-K205 IonicContact OE1-NZ 2.68Å; E85-K205 PolarHBondContact OE1-NZ 2.8Å; E85-K205 IonicContact OE2-NZ 3.52Å; E85-K205 PolarHBondContact OE2-NZ 2.82Å; Y201-K205 HydrophobicContact CE1-CD 4.41Å; Y201-K205 WeakPolarHBondContact O-CB 3.39Å; Y201-K205 PolarHBondContact O-N 3.02Å; K203-K205 VanDerWaalsContact C-N 3.34Å; K203-K205 PolarHBondContact O-N 2.91Å; K205-N207 VanDerWaalsContact C-N 3.31Å
206	K	97.5	Very high	97.2	Very high	133 Å²	133	38.9 Å²	38.9	58%	0.578	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	4.6	176.7	-69	175.5	-177.9	178.2	0	113.4	L202 K203 E204 Q208	L202-K206 WeakPolarHBondContact O-CG 3.45Å; L202-K206 PolarHBondContact O-N 3.18Å; L202-K206 VanDerWaalsContact O-N 3.14Å; K203-K206 CarbonylContact O-C 3.57Å; K203-K206 PolarHBondContact O-N 2.68Å; E204-K206 PolarHBondContact O-N 3.43Å; K206-Q208 HydrophobicContact CB-CB 4.5Å; K206-Q208 HydrophobicContact CB-CG 3.91Å; K206-Q208 PolarHBondContact O-N 2.93Å
207	N	97.3	Very high	97.1	Very high	148 Å²	148	43.2 Å²	43.2	79%	0.791	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	27.6	-172	-56	-67.2	0	0	0	113.7	K203 E204 K205	K203-N207 PolarHBondContact O-N 3.13Å; E204-N207 PolarHBondContact O-N 2.92Å; K205-N207 VanDerWaalsContact C-N 3.31Å
208	Q	96.9	Very high	96.9	Very high	69 Å²	69	47.2 Å²	47.2	32%	0.322	21%	0.214	S	C	.	.			trans	-96.9	-5.8	177.9	-66.5	176.9	-35.9	0	0	112.3	K203 K206 N230 E231	K203-Q208 HydrophobicContact CB-CB 4.18Å; K203-Q208 HydrophobicContact CG-CB 4.37Å; K203-Q208 WeakPolarHBondContact O-CA 3.43Å; K203-Q208 PolarHBondContact O-N 2.83Å; K206-Q208 HydrophobicContact CB-CB 4.5Å; K206-Q208 HydrophobicContact CB-CG 3.91Å; K206-Q208 PolarHBondContact O-N 2.93Å; Q208-N230 CarbonylContact O-C 3.25Å; Q208-N230 VanDerWaalsContact O-C 3.25Å; Q208-N230 WeakPolarHBondContact O-CA 2.97Å; Q208-E231 HydrophobicContact CB-CB 4.08Å; Q208-E231 HydrophobicContact CG-CB 4.3Å; Q208-E231 PolarHBondContact O-N 2.91Å
209	L	97.2	Very high	96.7	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.058	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.4	175.9	-171.6	155.8	0	0	0	108.8	L194 F200 K203 E204 Y228 V229	L194-L209 HydrophobicContact CD2-CD1 3.74Å; F200-L209 HydrophobicContact CD1-CD1 4.36Å; F200-L209 HydrophobicContact CD1-CD2 3.99Å; F200-L209 HydrophobicContact CD2-CD1 3.74Å; F200-L209 HydrophobicContact CD2-CD2 4.34Å; F200-L209 HydrophobicContact CE1-CD1 4.42Å; F200-L209 HydrophobicContact CE1-CD2 3.39Å; F200-L209 HydrophobicContact CE2-CD1 3.8Å; F200-L209 HydrophobicContact CE2-CD2 3.79Å; F200-L209 HydrophobicContact CE2-CG 4.45Å; F200-L209 HydrophobicContact CG-CD1 4.05Å; F200-L209 HydrophobicContact CG-CD2 4.44Å; F200-L209 HydrophobicContact CZ-CD1 4.17Å; F200-L209 HydrophobicContact CZ-CD2 3.29Å; F200-L209 HydrophobicContact CZ-CG 4.38Å; K203-L209 HydrophobicContact CB-CB 3.69Å; K203-L209 HydrophobicContact CB-CD1 4.35Å; K203-L209 PolarHBondContact O-N 3.42Å; E204-L209 HydrophobicContact CG-CB 4.3Å; E204-L209 HydrophobicContact CG-CD2 3.7Å; L209-Y228 HydrophobicContact CD1-CD2 3.61Å; L209-Y228 HydrophobicContact CD1-CE2 3.73Å; L209-Y228 HydrophobicContact CD1-CG 4.14Å; L209-Y228 HydrophobicContact CD2-CD2 4.12Å; L209-Y228 HydrophobicContact CD2-CG 4.06Å; L209-Y228 HydrophobicContact CG-CD2 3.63Å; L209-Y228 HydrophobicContact CG-CE2 4.24Å; L209-Y228 HydrophobicContact CG-CG 4.1Å; L209-V229 CarbonylContact C-O 3.52Å; L209-V229 WeakPolarHBondContact CA-O 3.05Å
210	N	96.8	Very high	96.5	Very high	61 Å²	61	56.9 Å²	56.9	33%	0.326	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.2	172.5	-172.1	37	0	0	0	109.8	D73 F212 Y228 V229	D73-N210 PolarHBondContact OD2-ND2 2.84Å; N210-F212 HydrophobicContact CB-CE2 4.2Å; N210-F212 WeakPolarHBondContact ND2-CE2 3.23Å; N210-F212 WeakPolarHBondContact O-CD2 3.33Å; N210-Y228 CarbonylContact O-C 3.6Å; N210-Y228 WeakPolarHBondContact O-CA 3.02Å; N210-Y228 WeakPolarHBondContact O-CB 3.45Å; N210-V229 PolarHBondContact N-O 3.47Å; N210-V229 PolarHBondContact O-N 3.48Å
211	F	97.5	Very high	96.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131.9	173.9	167.3	-118.7	0	0	0	110.5	L61 A75 L79 F200 E204 G213 V226	L61-F211 WeakPolarHBondContact O-CE1 3.32Å; L61-F211 WeakPolarHBondContact O-CZ 3.43Å; A75-F211 HydrophobicContact CB-CD1 3.43Å; A75-F211 VanDerWaalsContact CB-CD1 3.43Å; A75-F211 HydrophobicContact CB-CE1 3.58Å; A75-F211 HydrophobicContact CB-CG 4.23Å; A75-F211 HydrophobicContact CB-CZ 4.49Å; A75-F211 WeakPolarHBondContact CB-O 3.17Å; A75-F211 VanDerWaalsContact O-O 3.09Å; L79-F211 HydrophobicContact CB-CB 4.08Å; L79-F211 HydrophobicContact CB-CD1 3.78Å; L79-F211 HydrophobicContact CB-CD2 4.25Å; L79-F211 HydrophobicContact CB-CE1 4.24Å; L79-F211 HydrophobicContact CB-CG 3.79Å; L79-F211 HydrophobicContact CD1-CE1 4.13Å; L79-F211 HydrophobicContact CD1-CE2 4.37Å; L79-F211 HydrophobicContact CD1-CZ 4.04Å; F200-F211 HydrophobicContact CE1-CB 4.44Å; F200-F211 HydrophobicContact CZ-CB 4.39Å; F200-F211 HydrophobicContact CZ-CD2 4.45Å; E204-F211 VanDerWaalsContact OE1-CB 3.25Å; E204-F211 WeakPolarHBondContact OE1-CB 3.47Å; F211-G213 VanDerWaalsContact CE2-CA 3.44Å; F211-G213 WeakPolarHBondContact CE2-O 3.37Å; F211-G213 VanDerWaalsContact CZ-C 3.41Å; F211-V226 HydrophobicContact CD2-CB 4.02Å; F211-V226 HydrophobicContact CD2-CG1 4.17Å; F211-V226 HydrophobicContact CE2-CB 3.75Å; F211-V226 HydrophobicContact CE2-CG1 3.56Å
212	F	96	Very high	96.2	Very high	29 Å²	29	59 Å²	59	13%	0.127	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-12.6	-177	-87.3	-135.4	0	0	0	113.3	D73 L74 N210 A227 V229	D73-F212 HydrophobicContact CB-CD1 3.89Å; D73-F212 HydrophobicContact CB-CD2 4.47Å; D73-F212 HydrophobicContact CB-CE1 3.92Å; D73-F212 HydrophobicContact CB-CG 4.17Å; D73-F212 HydrophobicContact CB-CZ 4.24Å; L74-F212 PolarHBondContact N-O 3.25Å; N210-F212 HydrophobicContact CB-CE2 4.2Å; N210-F212 WeakPolarHBondContact ND2-CE2 3.23Å; N210-F212 WeakPolarHBondContact O-CD2 3.33Å; F212-A227 HydrophobicContact CB-CB 4.27Å; F212-A227 PolarHBondContact N-O 3.34Å; F212-V229 HydrophobicContact CD2-CG2 4.17Å; F212-V229 HydrophobicContact CE1-CG2 4.12Å; F212-V229 HydrophobicContact CE2-CB 3.74Å; F212-V229 HydrophobicContact CE2-CG2 3.42Å; F212-V229 VanDerWaalsContact CE2-CG2 3.42Å; F212-V229 HydrophobicContact CZ-CB 4.15Å; F212-V229 HydrophobicContact CZ-CG2 3.41Å; F212-V229 VanDerWaalsContact CZ-CG2 3.41Å
213	G	96.1	Very high	96.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.3	171.5	-174.3	0	0	0	0	0	113.1	G63 F211 V226 A227	G63-G213 VanDerWaalsContact O-CA 3.3Å; G63-G213 WeakPolarHBondContact O-CA 3.17Å; F211-G213 VanDerWaalsContact CE2-CA 3.44Å; F211-G213 WeakPolarHBondContact CE2-O 3.37Å; F211-G213 VanDerWaalsContact CZ-C 3.41Å; G213-V226 WeakPolarHBondContact O-CA 3.29Å; G213-A227 PolarHBondContact O-N 2.94Å
214	W	95.8	Very high	96.1	Very high	34 Å²	34	56.8 Å²	56.8	13%	0.129	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	149.2	-177.3	63.9	-85.8	0	0	0	112	L61 G63 K64 L65 R217 T225 V226	L61-W214 VanDerWaalsContact O-CD1 3.26Å; G63-W214 VanDerWaalsContact O-CD1 3.29Å; G63-W214 PolarHBondContact O-N 3.02Å; G63-W214 VanDerWaalsContact O-N 3.15Å; K64-W214 CarbonylContact C-O 3.47Å; K64-W214 WeakPolarHBondContact CA-O 3.47Å; K64-W214 HydrophobicContact CB-CD2 4.2Å; K64-W214 HydrophobicContact CB-CH2 3.99Å; K64-W214 HydrophobicContact CB-CZ2 3.57Å; K64-W214 HydrophobicContact CB-CZ3 4.44Å; K64-W214 HydrophobicContact CD-CE3 4.46Å; K64-W214 HydrophobicContact CD-CH2 3.43Å; K64-W214 VanDerWaalsContact CD-CH2 3.43Å; K64-W214 HydrophobicContact CD-CZ2 3.91Å; K64-W214 HydrophobicContact CD-CZ3 3.74Å; K64-W214 HydrophobicContact CG-CD2 4.09Å; K64-W214 HydrophobicContact CG-CE3 3.93Å; K64-W214 HydrophobicContact CG-CH2 3.62Å; K64-W214 HydrophobicContact CG-CZ2 3.75Å; K64-W214 HydrophobicContact CG-CZ3 3.7Å; L65-W214 PolarHBondContact N-O 2.74Å; W214-R217 HydrophobicContact CD2-CG 3.77Å; W214-R217 VanDerWaalsContact CE2-CD 3.41Å; W214-R217 HydrophobicContact CE3-CB 4.32Å; W214-R217 HydrophobicContact CE3-CG 3.51Å; W214-R217 HydrophobicContact CG-CG 4.22Å; W214-R217 HydrophobicContact CZ3-CB 4.32Å; W214-R217 HydrophobicContact CZ3-CG 3.91Å; W214-T225 CarbonylContact C-O 3.54Å; W214-T225 WeakPolarHBondContact CA-O 3.26Å; W214-V226 HydrophobicContact CB-CG1 4.44Å
215	T	93.9	Very high	96.1	Very high	25 Å²	25	56.7 Å²	56.7	15%	0.153	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-37.4	175.2	58	0	0	0	0	112.2	L65 T225	L65-T215 HydrophobicContact CB-CG2 3.96Å; T215-T225 PolarHBondContact N-O 3.49Å; T215-T225 WeakPolarHBondContact OG1-CB 3.4Å; T215-T225 WeakPolarHBondContact OG1-CG2 3.48Å; T215-T225 PolarHBondContact OG1-O 2.86Å
216	R	94.2	Very high	96	Very high	98 Å²	98	51.3 Å²	51.3	37%	0.37	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.3	179	-54.4	-177.6	-175.1	-159.7	2.7	110.6	F218 I224 T225	R216-F218 HydrophobicContact CB-CD2 4.47Å; R216-F218 HydrophobicContact CB-CE2 3.68Å; R216-F218 HydrophobicContact CB-CZ 4.14Å; R216-F218 HydrophobicContact CG-CE2 4.48Å; R216-I224 WeakPolarHBondContact O-CA 3.38Å; R216-T225 PolarHBondContact O-N 2.89Å
217	R	94.8	Very high	95.9	Very high	92 Å²	92	45 Å²	45	35%	0.347	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.7	178.1	-72.4	163	54.5	-178.4	3.3	108.1	W214 D221 I224	W214-R217 HydrophobicContact CD2-CG 3.77Å; W214-R217 VanDerWaalsContact CE2-CD 3.41Å; W214-R217 HydrophobicContact CE3-CB 4.32Å; W214-R217 HydrophobicContact CE3-CG 3.51Å; W214-R217 HydrophobicContact CG-CG 4.22Å; W214-R217 HydrophobicContact CZ3-CB 4.32Å; W214-R217 HydrophobicContact CZ3-CG 3.91Å; R217-D221 IonicContact CZ-OD1 2.9Å; R217-D221 IonicContact CZ-OD2 3.36Å; R217-D221 IonicContact NE-OD1 3.63Å; R217-D221 PolarHBondContact NE-OD1 3.09Å; R217-D221 IonicContact NE-OD2 2.74Å; R217-D221 IonicContact NH2-OD1 3.97Å; R217-D221 PolarHBondContact NH2-OD1 2.9Å; R217-D221 IonicContact NH2-OD2 3.12Å; R217-D221 PolarHBondContact NH2-OD2 3.07Å; R217-I224 HydrophobicContact CG-CG2 3.99Å
218	F	95.1	Very high	95.8	Very high	84 Å²	84	38 Å²	38	37%	0.368	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	166.1	176.9	-56	-77.7	0	0	0	109.3	R216 K220 D221 Q222 L223	R216-F218 HydrophobicContact CB-CD2 4.47Å; R216-F218 HydrophobicContact CB-CE2 3.68Å; R216-F218 HydrophobicContact CB-CZ 4.14Å; R216-F218 HydrophobicContact CG-CE2 4.48Å; F218-K220 VanDerWaalsContact C-N 3.33Å; F218-K220 PolarHBondContact O-N 3.41Å; F218-D221 PolarHBondContact O-N 3.27Å; F218-Q222 PolarHBondContact O-N 3.47Å; F218-L223 HydrophobicContact CB-CB 4.28Å; F218-L223 HydrophobicContact CD2-CD2 4.41Å; F218-L223 HydrophobicContact CD2-CG 4.44Å; F218-L223 PolarHBondContact N-O 3.2Å; F218-L223 PolarHBondContact O-N 3.43Å
219	C	94.9	Very high	95.8	Very high	27 Å²	27	35.5 Å²	35.5	18%	0.182	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	56.6	47.1	165.3	-43.4	0	0	0	0	113.1	D221 Q222 C273	C219-D221 PolarHBondContact O-N 3.4Å; C219-Q222 HydrophobicContact CB-CB 4.33Å; C219-Q222 WeakPolarHBondContact O-CB 3.45Å; C219-Q222 WeakPolarHBondContact O-CG 3.48Å; C219-Q222 PolarHBondContact O-N 2.99Å; C219-Q222 VanDerWaalsContact O-N 3.1Å; C219-Q222 PolarHBondContact O-OE1 2.91Å; C219-C273 HydrophobicContact CB-CB 3.64Å; C219-C273 WeakPolarHBondContact CB-SG 3.37Å; C219-C273 WeakPolarHBondContact SG-CA 3.24Å; C219-C273 WeakPolarHBondContact SG-CB 3.46Å; C219-C273 CovalentContact SG-SG 1.98Å; C219-C273 PolarHBondContact SG-SG 3.39Å
220	K	94.2	Very high	95.6	Very high	189 Å²	189	35.6 Å²	35.6	82%	0.822	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	53.3	41.9	-178.7	-53.7	175.9	-177.4	174.9	0	112.6	F218 Q222	F218-K220 VanDerWaalsContact C-N 3.33Å; F218-K220 PolarHBondContact O-N 3.41Å; K220-Q222 VanDerWaalsContact C-N 3.27Å; K220-Q222 PolarHBondContact O-N 2.65Å
221	D	94.9	Very high	95.5	Very high	32 Å²	32	35.5 Å²	35.5	17%	0.171	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	71.2	14.5	178	-47.5	-34.8	0	0	0	115.2	L59 L61 R217 F218 C219 I224	L59-D221 HydrophobicContact CD1-CB 4.33Å; L61-D221 HydrophobicContact CD1-CB 4.4Å; R217-D221 IonicContact CZ-OD1 2.9Å; R217-D221 IonicContact CZ-OD2 3.36Å; R217-D221 IonicContact NE-OD1 3.63Å; R217-D221 PolarHBondContact NE-OD1 3.09Å; R217-D221 IonicContact NE-OD2 2.74Å; R217-D221 IonicContact NH2-OD1 3.97Å; R217-D221 PolarHBondContact NH2-OD1 2.9Å; R217-D221 IonicContact NH2-OD2 3.12Å; R217-D221 PolarHBondContact NH2-OD2 3.07Å; F218-D221 PolarHBondContact O-N 3.27Å; C219-D221 PolarHBondContact O-N 3.4Å; D221-I224 HydrophobicContact CB-CG2 4.34Å; D221-I224 WeakPolarHBondContact O-CG2 3.27Å
222	Q	95.8	Very high	95.3	Very high	39 Å²	39	38.8 Å²	38.8	18%	0.182	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-47	167.3	-68.1	177	-54.5	0	0	110.5	Y44 F218 C219 K220 F242 V243	Y44-Q222 PolarHBondContact OH-NE2 3.35Å; F218-Q222 PolarHBondContact O-N 3.47Å; C219-Q222 HydrophobicContact CB-CB 4.33Å; C219-Q222 WeakPolarHBondContact O-CB 3.45Å; C219-Q222 WeakPolarHBondContact O-CG 3.48Å; C219-Q222 PolarHBondContact O-N 2.99Å; C219-Q222 VanDerWaalsContact O-N 3.1Å; C219-Q222 PolarHBondContact O-OE1 2.91Å; K220-Q222 VanDerWaalsContact C-N 3.27Å; K220-Q222 PolarHBondContact O-N 2.65Å; Q222-F242 HydrophobicContact CB-CZ 4.34Å; Q222-F242 CarbonylContact O-C 3.57Å; Q222-F242 WeakPolarHBondContact O-CA 3.38Å; Q222-V243 PolarHBondContact O-N 3Å
223	L	97.7	Very high	95.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.9	177.3	-179.4	59.6	0	0	0	110.1	F218 F242 V275 M292	F218-L223 HydrophobicContact CB-CB 4.28Å; F218-L223 HydrophobicContact CD2-CD2 4.41Å; F218-L223 HydrophobicContact CD2-CG 4.44Å; F218-L223 PolarHBondContact N-O 3.2Å; F218-L223 PolarHBondContact O-N 3.43Å; L223-F242 HydrophobicContact CB-CD2 4.06Å; L223-F242 HydrophobicContact CB-CE2 4.42Å; L223-F242 HydrophobicContact CD1-CD2 4.25Å; L223-V275 HydrophobicContact CD2-CB 4.35Å; L223-V275 HydrophobicContact CD2-CG1 3.99Å; L223-V275 HydrophobicContact CD2-CG2 4.03Å; L223-M292 HydrophobicContact CD1-CB 4.31Å
224	I	97	Very high	95.1	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.4	-178.2	64	178	0	0	0	110.7	L59 L79 R216 R217 D221 V226 S240 V241 V243	L59-I224 HydrophobicContact CD1-CD1 4.42Å; L79-I224 HydrophobicContact CD1-CD1 4.07Å; L79-I224 HydrophobicContact CD2-CD1 3.71Å; L79-I224 HydrophobicContact CG-CD1 4.49Å; R216-I224 WeakPolarHBondContact O-CA 3.38Å; R217-I224 HydrophobicContact CG-CG2 3.99Å; D221-I224 HydrophobicContact CB-CG2 4.34Å; D221-I224 WeakPolarHBondContact O-CG2 3.27Å; I224-V226 HydrophobicContact CB-CG1 4.4Å; I224-V226 HydrophobicContact CD1-CG1 3.83Å; I224-V226 HydrophobicContact CG1-CG1 3.97Å; I224-S240 VanDerWaalsContact O-CA 3.27Å; I224-S240 WeakPolarHBondContact O-CA 3.41Å; I224-V241 HydrophobicContact CD1-CG2 3.79Å; I224-V241 HydrophobicContact CG1-CG2 3.4Å; I224-V241 VanDerWaalsContact CG1-CG2 3.4Å; I224-V241 PolarHBondContact N-O 3Å; I224-V241 VanDerWaalsContact N-O 3.08Å; I224-V241 PolarHBondContact O-N 2.65Å; I224-V243 HydrophobicContact CD1-CG2 3.99Å; I224-V243 HydrophobicContact CG1-CG2 4.25Å
225	T	96.4	Very high	94.9	Very high	6 Å²	6	49 Å²	49	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.8	168.8	-48.4	0	0	0	0	108.7	W214 T215 R216 M238 G239	W214-T225 CarbonylContact C-O 3.54Å; W214-T225 WeakPolarHBondContact CA-O 3.26Å; T215-T225 PolarHBondContact N-O 3.49Å; T215-T225 WeakPolarHBondContact OG1-CB 3.4Å; T215-T225 WeakPolarHBondContact OG1-CG2 3.48Å; T215-T225 PolarHBondContact OG1-O 2.86Å; R216-T225 PolarHBondContact O-N 2.89Å; T225-M238 HydrophobicContact CG2-CB 4.11Å; T225-M238 HydrophobicContact CG2-CE 3.9Å; T225-M238 HydrophobicContact CG2-CG 4.47Å; T225-G239 CarbonylContact C-O 3.55Å; T225-G239 WeakPolarHBondContact CA-O 3.21Å
226	V	95.9	Very high	94.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	156.3	-172.8	-60.8	0	0	0	0	111.7	F200 F211 G213 W214 I224 Y228 M238 G239	F200-V226 HydrophobicContact CE2-CG2 3.81Å; F200-V226 HydrophobicContact CZ-CG2 4.09Å; F211-V226 HydrophobicContact CD2-CB 4.02Å; F211-V226 HydrophobicContact CD2-CG1 4.17Å; F211-V226 HydrophobicContact CE2-CB 3.75Å; F211-V226 HydrophobicContact CE2-CG1 3.56Å; G213-V226 WeakPolarHBondContact O-CA 3.29Å; W214-V226 HydrophobicContact CB-CG1 4.44Å; I224-V226 HydrophobicContact CB-CG1 4.4Å; I224-V226 HydrophobicContact CD1-CG1 3.83Å; I224-V226 HydrophobicContact CG1-CG1 3.97Å; V226-Y228 HydrophobicContact CG2-CD1 4.06Å; V226-M238 CarbonylContact O-C 3.52Å; V226-M238 WeakPolarHBondContact O-CA 3.41Å; V226-G239 WeakPolarHBondContact CG2-O 3.37Å; V226-G239 PolarHBondContact N-O 3.31Å; V226-G239 PolarHBondContact O-N 3.34Å
227	A	95.7	Very high	94.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.8	161.5	0	0	0	0	0	109	L65 D70 F212 G213 K236 P237	L65-A227 HydrophobicContact CD1-CB 3.46Å; L65-A227 VanDerWaalsContact CD1-CB 3.46Å; D70-A227 HydrophobicContact CB-CB 4.37Å; F212-A227 HydrophobicContact CB-CB 4.27Å; F212-A227 PolarHBondContact N-O 3.34Å; G213-A227 PolarHBondContact O-N 2.94Å; A227-K236 VanDerWaalsContact CA-O 3.29Å; A227-K236 WeakPolarHBondContact CA-O 3.27Å; A227-P237 WeakPolarHBondContact CB-O 3.18Å
228	Y	95.7	Very high	94.7	Very high	3 Å²	3	47.5 Å²	47.5	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	168.8	177.8	63.8	-91.5	0	0	0	111.4	V191 L194 F200 L209 N210 V226 K236	V191-Y228 HydrophobicContact CG1-CE2 3.98Å; L194-Y228 HydrophobicContact CD2-CE2 4.16Å; F200-Y228 AromaticContact CE2-CD1 3.59Å; F200-Y228 HydrophobicContact CE2-CD1 3.59Å; F200-Y228 AromaticContact CE2-CE1 3.88Å; F200-Y228 HydrophobicContact CE2-CE1 3.88Å; F200-Y228 HydrophobicContact CE2-CG 4.03Å; F200-Y228 HydrophobicContact CZ-CD1 4.22Å; F200-Y228 HydrophobicContact CZ-CG 4.38Å; L209-Y228 HydrophobicContact CD1-CD2 3.61Å; L209-Y228 HydrophobicContact CD1-CE2 3.73Å; L209-Y228 HydrophobicContact CD1-CG 4.14Å; L209-Y228 HydrophobicContact CD2-CD2 4.12Å; L209-Y228 HydrophobicContact CD2-CG 4.06Å; L209-Y228 HydrophobicContact CG-CD2 3.63Å; L209-Y228 HydrophobicContact CG-CE2 4.24Å; L209-Y228 HydrophobicContact CG-CG 4.1Å; N210-Y228 CarbonylContact O-C 3.6Å; N210-Y228 WeakPolarHBondContact O-CA 3.02Å; N210-Y228 WeakPolarHBondContact O-CB 3.45Å; V226-Y228 HydrophobicContact CG2-CD1 4.06Å; Y228-K236 HydrophobicContact CD1-CB 4.01Å; Y228-K236 HydrophobicContact CD2-CB 4.28Å; Y228-K236 HydrophobicContact CE1-CB 3.62Å; Y228-K236 HydrophobicContact CE1-CD 3.64Å; Y228-K236 HydrophobicContact CE1-CG 4.06Å; Y228-K236 HydrophobicContact CE2-CB 3.91Å; Y228-K236 HydrophobicContact CG-CB 4.34Å; Y228-K236 PolarHBondContact N-O 3.11Å; Y228-K236 VanDerWaalsContact N-O 3.09Å; Y228-K236 PolarHBondContact O-N 3.29Å; Y228-K236 WeakPolarHBondContact OH-CD 3.19Å
229	V	95.2	Very high	94.6	Very high	15 Å²	15	43.6 Å²	43.6	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.2	173.5	171.6	0	0	0	0	109.2	L209 N210 F212 K233 Y234 K235	L209-V229 CarbonylContact C-O 3.52Å; L209-V229 WeakPolarHBondContact CA-O 3.05Å; N210-V229 PolarHBondContact N-O 3.47Å; N210-V229 PolarHBondContact O-N 3.48Å; F212-V229 HydrophobicContact CD2-CG2 4.17Å; F212-V229 HydrophobicContact CE1-CG2 4.12Å; F212-V229 HydrophobicContact CE2-CB 3.74Å; F212-V229 HydrophobicContact CE2-CG2 3.42Å; F212-V229 VanDerWaalsContact CE2-CG2 3.42Å; F212-V229 HydrophobicContact CZ-CB 4.15Å; F212-V229 HydrophobicContact CZ-CG2 3.41Å; F212-V229 VanDerWaalsContact CZ-CG2 3.41Å; V229-K233 HydrophobicContact CG1-CB 4.27Å; V229-K233 HydrophobicContact CG1-CD 4.14Å; V229-Y234 CarbonylContact C-O 3.4Å; V229-Y234 VanDerWaalsContact CA-O 3.29Å; V229-Y234 WeakPolarHBondContact CA-O 3.49Å; V229-K235 HydrophobicContact CG2-CB 4.27Å; V229-K235 HydrophobicContact CG2-CG 4.15Å
230	N	94.8	Very high	94.7	Very high	14 Å²	14	42.6 Å²	42.6	8%	0.075	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-175.2	179.1	80.8	-11	0	0	0	112.6	V191 Q208 N232 K233 Y234	V191-N230 HydrophobicContact CG2-CB 4.24Å; Q208-N230 CarbonylContact O-C 3.25Å; Q208-N230 VanDerWaalsContact O-C 3.25Å; Q208-N230 WeakPolarHBondContact O-CA 2.97Å; N230-N232 PolarHBondContact O-N 3.32Å; N230-N232 WeakPolarHBondContact OD1-CA 3.47Å; N230-N232 PolarHBondContact OD1-N 2.95Å; N230-K233 PolarHBondContact O-N 2.91Å; N230-K233 PolarHBondContact OD1-N 2.86Å; N230-Y234 PolarHBondContact N-O 2.8Å; N230-Y234 WeakPolarHBondContact OD1-CB 3.32Å; N230-Y234 PolarHBondContact OD1-N 3.14Å; N230-Y234 PolarHBondContact OD1-O 3.09Å
231	E	93.6	Very high	94.9	Very high	59 Å²	59	33.7 Å²	33.7	28%	0.276	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.7	-179.5	57.1	-92.1	-140.5	0	0	113.1	K203 Q208 K233	K203-E231 IonicContact NZ-OE1 3.29Å; K203-E231 PolarHBondContact NZ-OE1 2.78Å; K203-E231 IonicContact NZ-OE2 2.77Å; K203-E231 PolarHBondContact NZ-OE2 3Å; Q208-E231 HydrophobicContact CB-CB 4.08Å; Q208-E231 HydrophobicContact CG-CB 4.3Å; Q208-E231 PolarHBondContact O-N 2.91Å; E231-K233 VanDerWaalsContact C-N 3.25Å; E231-K233 PolarHBondContact O-N 2.72Å
232	N	93.3	Very high	95	Very high	69 Å²	69	32.3 Å²	32.3	37%	0.369	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6	-179.6	-63.5	-34.1	0	0	0	113.2	H186 N230 Y234	H186-N232 PolarHBondContact NE2-ND2 3.4Å; N230-N232 PolarHBondContact O-N 3.32Å; N230-N232 WeakPolarHBondContact OD1-CA 3.47Å; N230-N232 PolarHBondContact OD1-N 2.95Å; N232-Y234 HydrophobicContact CB-CD1 4.14Å; N232-Y234 HydrophobicContact CB-CD2 3.69Å; N232-Y234 HydrophobicContact CB-CE1 4Å; N232-Y234 HydrophobicContact CB-CE2 3.57Å; N232-Y234 HydrophobicContact CB-CG 3.98Å; N232-Y234 WeakPolarHBondContact O-CD1 3.32Å; N232-Y234 WeakPolarHBondContact O-CE1 3.38Å; N232-Y234 PolarHBondContact O-N 3.24Å
233	K	93.3	Very high	95.1	Very high	166 Å²	166	30.4 Å²	30.4	72%	0.722	15%	0.148	S	C	*	.	S	Bend	trans	64.3	18.6	-173.5	-50.9	-55.8	-177.8	-173	0	114.3	V229 N230 E231	V229-K233 HydrophobicContact CG1-CB 4.27Å; V229-K233 HydrophobicContact CG1-CD 4.14Å; N230-K233 PolarHBondContact O-N 2.91Å; N230-K233 PolarHBondContact OD1-N 2.86Å; E231-K233 VanDerWaalsContact C-N 3.25Å; E231-K233 PolarHBondContact O-N 2.72Å
234	Y	94.3	Very high	95.1	Very high	56 Å²	56	30.6 Å²	30.6	22%	0.22	15%	0.15	C	C	.	.			trans	-82	142.5	173.1	-57.2	-17.7	0	0	0	109.9	H186 N188 F189 V191 V229 N230 N232	H186-Y234 HydrophobicContact CB-CD2 3.87Å; H186-Y234 HydrophobicContact CB-CE2 4.39Å; H186-Y234 AromaticContact CE1-CE2 3.81Å; H186-Y234 AromaticContact CG-CD2 3.79Å; H186-Y234 AromaticContact CG-CE2 3.87Å; H186-Y234 AromaticContact ND1-CD2 3.87Å; H186-Y234 AromaticContact ND1-CE2 3.48Å; H186-Y234 WeakPolarHBondContact ND1-CE2 3.39Å; N188-Y234 WeakPolarHBondContact O-CE2 3.31Å; F189-Y234 HydrophobicContact CB-CD1 4.21Å; F189-Y234 HydrophobicContact CB-CE1 4.49Å; F189-Y234 AromaticContact CD1-CD1 3.97Å; F189-Y234 HydrophobicContact CD1-CD1 3.97Å; F189-Y234 AromaticContact CD1-CE1 3.47Å; F189-Y234 HydrophobicContact CD1-CE1 3.47Å; F189-Y234 VanDerWaalsContact CD1-CE1 3.47Å; F189-Y234 HydrophobicContact CE1-CE1 4.17Å; F189-Y234 HydrophobicContact CG-CE1 4.44Å; F189-Y234 VanDerWaalsContact O-CB 3.31Å; F189-Y234 WeakPolarHBondContact O-CB 3.46Å; V191-Y234 WeakPolarHBondContact CG2-O 3.48Å; V229-Y234 CarbonylContact C-O 3.4Å; V229-Y234 VanDerWaalsContact CA-O 3.29Å; V229-Y234 WeakPolarHBondContact CA-O 3.49Å; N230-Y234 PolarHBondContact N-O 2.8Å; N230-Y234 WeakPolarHBondContact OD1-CB 3.32Å; N230-Y234 PolarHBondContact OD1-N 3.14Å; N230-Y234 PolarHBondContact OD1-O 3.09Å; N232-Y234 HydrophobicContact CB-CD1 4.14Å; N232-Y234 HydrophobicContact CB-CD2 3.69Å; N232-Y234 HydrophobicContact CB-CE1 4Å; N232-Y234 HydrophobicContact CB-CE2 3.57Å; N232-Y234 HydrophobicContact CB-CG 3.98Å; N232-Y234 WeakPolarHBondContact O-CD1 3.32Å; N232-Y234 WeakPolarHBondContact O-CE1 3.38Å; N232-Y234 PolarHBondContact O-N 3.24Å
235	K	91.8	Very high	95.2	Very high	56 Å²	56	30.7 Å²	30.7	24%	0.243	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.3	-169.5	-168.8	-179	-177.6	-163.6	0	111	D70 S71 V229	D70-K235 WeakPolarHBondContact O-CE 3.42Å; D70-K235 PolarHBondContact O-NZ 3.17Å; D70-K235 IonicContact OD1-NZ 3.02Å; D70-K235 PolarHBondContact OD1-NZ 3.32Å; D70-K235 WeakPolarHBondContact OD2-CE 3.44Å; D70-K235 IonicContact OD2-NZ 3.31Å; D70-K235 PolarHBondContact OD2-NZ 2.89Å; S71-K235 VanDerWaalsContact N-NZ 3.13Å; V229-K235 HydrophobicContact CG2-CB 4.27Å; V229-K235 HydrophobicContact CG2-CG 4.15Å
236	K	94.2	Very high	95.3	Very high	13 Å²	13	30.4 Å²	30.4	6%	0.057	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.2	159.9	-160.2	165.9	-177.1	-169.1	0	109.5	V191 G193 A227 Y228 M238	V191-K236 HydrophobicContact CB-CB 3.91Å; V191-K236 HydrophobicContact CB-CG 4.42Å; V191-K236 HydrophobicContact CG1-CB 4.14Å; V191-K236 HydrophobicContact CG1-CD 4.17Å; G193-K236 PolarHBondContact O-NZ 2.91Å; A227-K236 VanDerWaalsContact CA-O 3.29Å; A227-K236 WeakPolarHBondContact CA-O 3.27Å; Y228-K236 HydrophobicContact CD1-CB 4.01Å; Y228-K236 HydrophobicContact CD2-CB 4.28Å; Y228-K236 HydrophobicContact CE1-CB 3.62Å; Y228-K236 HydrophobicContact CE1-CD 3.64Å; Y228-K236 HydrophobicContact CE1-CG 4.06Å; Y228-K236 HydrophobicContact CE2-CB 3.91Å; Y228-K236 HydrophobicContact CG-CB 4.34Å; Y228-K236 PolarHBondContact N-O 3.11Å; Y228-K236 VanDerWaalsContact N-O 3.09Å; Y228-K236 PolarHBondContact O-N 3.29Å; Y228-K236 WeakPolarHBondContact OH-CD 3.19Å; K236-M238 VanDerWaalsContact C-N 3.35Å; K236-M238 VanDerWaalsContact CE-O 3.23Å; K236-M238 WeakPolarHBondContact CE-O 3.44Å
237	P	92.7	Very high	95.4	Very high	64 Å²	64	30.4 Å²	30.4	42%	0.416	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-33.5	-178	29.2	-36.1	0	0	0	112.1	D70 A227	D70-P237 HydrophobicContact CB-CB 4.42Å; D70-P237 WeakPolarHBondContact OD2-CA 2.83Å; D70-P237 WeakPolarHBondContact OD2-CB 3.29Å; A227-P237 WeakPolarHBondContact CB-O 3.18Å
238	M	92.1	Very high	95.6	Very high	106 Å²	106	30.5 Å²	30.5	52%	0.522	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	111.2	-179.7	-66.1	-176.4	65.6	0	0	109.5	T225 V226 K236	T225-M238 HydrophobicContact CG2-CB 4.11Å; T225-M238 HydrophobicContact CG2-CE 3.9Å; T225-M238 HydrophobicContact CG2-CG 4.47Å; V226-M238 CarbonylContact O-C 3.52Å; V226-M238 WeakPolarHBondContact O-CA 3.41Å; K236-M238 VanDerWaalsContact C-N 3.35Å; K236-M238 VanDerWaalsContact CE-O 3.23Å; K236-M238 WeakPolarHBondContact CE-O 3.44Å
239	G	93.6	Very high	95.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.8	166.4	0	0	0	0	0	109.8	T225 V226	T225-G239 CarbonylContact C-O 3.55Å; T225-G239 WeakPolarHBondContact CA-O 3.21Å; V226-G239 WeakPolarHBondContact CG2-O 3.37Å; V226-G239 PolarHBondContact N-O 3.31Å; V226-G239 PolarHBondContact O-N 3.34Å
240	S	96.8	Very high	95.9	Very high	7 Å²	7	29.7 Å²	29.7	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.1	172.7	57	0	0	0	0	110.7	H195 I224 Y291 M292	H195-S240 WeakPolarHBondContact CA-O 3.1Å; H195-S240 PolarHBondContact ND1-O 2.8Å; H195-S240 PolarHBondContact ND1-OG 3.29Å; I224-S240 VanDerWaalsContact O-CA 3.27Å; I224-S240 WeakPolarHBondContact O-CA 3.41Å; S240-Y291 WeakPolarHBondContact OG-CD2 3.35Å; S240-M292 WeakPolarHBondContact CB-O 3.49Å; S240-M292 PolarHBondContact OG-O 2.54Å
241	V	97.1	Very high	96.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.1	171.5	-64.2	0	0	0	0	108.9	F200 I224 V243	F200-V241 HydrophobicContact CD2-CG1 4.32Å; I224-V241 HydrophobicContact CD1-CG2 3.79Å; I224-V241 HydrophobicContact CG1-CG2 3.4Å; I224-V241 VanDerWaalsContact CG1-CG2 3.4Å; I224-V241 PolarHBondContact N-O 3Å; I224-V241 VanDerWaalsContact N-O 3.08Å; I224-V241 PolarHBondContact O-N 2.65Å; V241-V243 HydrophobicContact CG2-CG2 3.95Å
242	F	97.7	Very high	96.3	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.013	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	93.9	171.5	-164.4	-82.2	0	0	0	108.1	Y44 Q222 L223 S245 F249 V275 M292	Y44-F242 HydrophobicContact CE2-CE1 4.38Å; Y44-F242 HydrophobicContact CE2-CZ 4.31Å; Q222-F242 HydrophobicContact CB-CZ 4.34Å; Q222-F242 CarbonylContact O-C 3.57Å; Q222-F242 WeakPolarHBondContact O-CA 3.38Å; L223-F242 HydrophobicContact CB-CD2 4.06Å; L223-F242 HydrophobicContact CB-CE2 4.42Å; L223-F242 HydrophobicContact CD1-CD2 4.25Å; F242-S245 PolarHBondContact O-OG 3.48Å; F242-S245 VanDerWaalsContact O-OG 3.09Å; F242-F249 HydrophobicContact CE1-CE1 4.31Å; F242-V275 HydrophobicContact CE2-CG2 4.49Å; F242-M292 HydrophobicContact CB-CE 3.71Å; F242-M292 HydrophobicContact CB-SD 4.45Å; F242-M292 HydrophobicContact CD1-CE 4.39Å; F242-M292 HydrophobicContact CD2-CE 4.1Å; F242-M292 HydrophobicContact CD2-SD 3.77Å; F242-M292 HydrophobicContact CE2-SD 4.24Å; F242-M292 HydrophobicContact CG-CE 3.82Å; F242-M292 HydrophobicContact CG-SD 4.13Å
243	V	98.3	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	131	-177.9	-168.9	0	0	0	0	109.8	Y57 L59 F80 W197 Q222 I224 V241	Y57-V243 HydrophobicContact CD2-CG1 3.86Å; Y57-V243 HydrophobicContact CE1-CG1 4.29Å; Y57-V243 HydrophobicContact CE2-CB 4.32Å; Y57-V243 HydrophobicContact CE2-CG1 3.39Å; Y57-V243 HydrophobicContact CG-CG1 4.49Å; L59-V243 HydrophobicContact CD1-CG2 4.37Å; L59-V243 HydrophobicContact CD2-CG1 4.3Å; F80-V243 HydrophobicContact CE1-CG1 3.84Å; F80-V243 HydrophobicContact CZ-CG1 4.24Å; F80-V243 HydrophobicContact CZ-CG2 4.44Å; W197-V243 HydrophobicContact CB-CB 4.38Å; W197-V243 HydrophobicContact CB-CG1 4.32Å; W197-V243 HydrophobicContact CB-CG2 4.2Å; W197-V243 HydrophobicContact CG-CG1 4.36Å; Q222-V243 PolarHBondContact O-N 3Å; I224-V243 HydrophobicContact CD1-CG2 3.99Å; I224-V243 HydrophobicContact CG1-CG2 4.25Å; V241-V243 HydrophobicContact CG2-CG2 3.95Å
244	G	97.9	Very high	96.9	Very high	3 Å²	3	15 Å²	15	3%	0.031	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.4	-17.8	174	0	0	0	0	0	114.7	A50 V51	A50-G244 CarbonylContact C-O 3.57Å; A50-G244 VanDerWaalsContact CA-O 3.27Å; A50-G244 WeakPolarHBondContact CA-O 3.34Å; A50-G244 WeakPolarHBondContact CB-O 3.45Å; V51-G244 PolarHBondContact N-O 2.76Å
245	S	98.2	Very high	97.1	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.014	7%	0.066	C	C	.	.			trans	-68.1	150.1	176.5	48.7	0	0	0	0	112.1	W197 F242 F249 D250	W197-S245 PolarHBondContact NE1-O 3.45Å; F242-S245 PolarHBondContact O-OG 3.48Å; F242-S245 VanDerWaalsContact O-OG 3.09Å; S245-F249 VanDerWaalsContact CB-CD1 3.49Å; S245-D250 WeakPolarHBondContact CB-OD1 3.46Å; S245-D250 VanDerWaalsContact OG-CG 3.31Å; S245-D250 PolarHBondContact OG-OD1 2.96Å; S245-D250 PolarHBondContact OG-OD2 3.13Å
246	S	98.7	Very high	97.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.			trans	-78.2	159.3	165.6	68.5	0	0	0	0	112	D47 E248 F249 D250	D47-S246 WeakPolarHBondContact OD1-CB 3.48Å; D47-S246 PolarHBondContact OD1-OG 2.73Å; D47-S246 PolarHBondContact OD2-N 3.46Å; D47-S246 PolarHBondContact OD2-OG 3.27Å; S246-E248 VanDerWaalsContact CB-CD 3.45Å; S246-E248 VanDerWaalsContact CB-OE2 3.27Å; S246-E248 WeakPolarHBondContact CB-OE2 3.24Å; S246-E248 PolarHBondContact O-N 3.16Å; S246-E248 WeakPolarHBondContact OG-CG 3.21Å; S246-E248 PolarHBondContact OG-OE2 3.28Å; S246-F249 PolarHBondContact O-N 2.98Å; S246-F249 VanDerWaalsContact O-N 3.15Å; S246-F249 PolarHBondContact OG-N 3.09Å; S246-D250 PolarHBondContact O-N 2.82Å; S246-D250 VanDerWaalsContact O-N 3.16Å
247	P	98.8	Very high	97.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-53.9	-39.4	172.3	-26.9	35.2	0	0	0	113.2	F94 F97 F125 I198 F249 D250 I251	F94-P247 HydrophobicContact CD2-CG 4.25Å; F94-P247 VanDerWaalsContact CE2-CD 3.41Å; F94-P247 HydrophobicContact CE2-CG 4.46Å; F94-P247 HydrophobicContact CG-CG 4.31Å; F97-P247 HydrophobicContact CB-CB 3.98Å; F97-P247 HydrophobicContact CB-CG 3.8Å; F97-P247 HydrophobicContact CD1-CG 4.3Å; F97-P247 HydrophobicContact CD2-CB 3.93Å; F97-P247 HydrophobicContact CD2-CG 4.34Å; F97-P247 HydrophobicContact CG-CB 3.99Å; F97-P247 HydrophobicContact CG-CG 3.91Å; F125-P247 HydrophobicContact CE2-CB 4.02Å; F125-P247 HydrophobicContact CZ-CB 4.1Å; I198-P247 HydrophobicContact CD1-CG 3.79Å; P247-F249 PolarHBondContact O-N 2.9Å; P247-D250 PolarHBondContact O-N 3.31Å; P247-I251 WeakPolarHBondContact O-CB 3.33Å; P247-I251 WeakPolarHBondContact O-CG1 3.38Å; P247-I251 PolarHBondContact O-N 3.06Å
248	E	98.8	Very high	97.9	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.009	3%	0.034	C	C	.	.	H	α-helix	trans	-67.4	-33.1	178.7	61.5	-90.9	-137.9	0	0	113.5	N49 T93 L129 T132 V134 M135 S246 A252	N49-E248 VanDerWaalsContact CB-OE1 3.29Å; N49-E248 WeakPolarHBondContact CB-OE1 3.44Å; N49-E248 PolarHBondContact ND2-OE1 2.89Å; T93-E248 WeakPolarHBondContact CB-OE2 3.31Å; T93-E248 WeakPolarHBondContact CG2-OE2 3.47Å; T93-E248 PolarHBondContact OG1-OE1 2.9Å; T93-E248 PolarHBondContact OG1-OE2 2.9Å; L129-E248 HydrophobicContact CD2-CB 3.52Å; T132-E248 HydrophobicContact CG2-CB 4.14Å; T132-E248 HydrophobicContact CG2-CG 3.89Å; V134-E248 HydrophobicContact CB-CG 4.13Å; V134-E248 HydrophobicContact CG1-CB 4.47Å; V134-E248 HydrophobicContact CG1-CG 4.35Å; V134-E248 WeakPolarHBondContact CG1-O 3.25Å; V134-E248 HydrophobicContact CG2-CG 4.39Å; M135-E248 HydrophobicContact CE-CB 4.5Å; S246-E248 VanDerWaalsContact CB-CD 3.45Å; S246-E248 VanDerWaalsContact CB-OE2 3.27Å; S246-E248 WeakPolarHBondContact CB-OE2 3.24Å; S246-E248 PolarHBondContact O-N 3.16Å; S246-E248 WeakPolarHBondContact OG-CG 3.21Å; S246-E248 PolarHBondContact OG-OE2 3.28Å; E248-A252 WeakPolarHBondContact O-CB 3.37Å; E248-A252 PolarHBondContact O-N 3.04Å
249	F	98.9	Very high	98.1	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-67.4	-49.8	174.4	175.9	-92.2	0	0	0	111.2	L43 Y44 D47 F242 S245 S246 P247 I251 A252 V253 I270 M292	L43-F249 HydrophobicContact CB-CD2 4.15Å; L43-F249 HydrophobicContact CB-CE2 4.07Å; Y44-F249 HydrophobicContact CD2-CE2 4.28Å; Y44-F249 HydrophobicContact CD2-CZ 4.19Å; D47-F249 HydrophobicContact CB-CB 4.35Å; D47-F249 HydrophobicContact CB-CD2 4.36Å; D47-F249 VanDerWaalsContact OD2-CB 3.29Å; D47-F249 WeakPolarHBondContact OD2-CB 3.47Å; F242-F249 HydrophobicContact CE1-CE1 4.31Å; S245-F249 VanDerWaalsContact CB-CD1 3.49Å; S246-F249 PolarHBondContact O-N 2.98Å; S246-F249 VanDerWaalsContact O-N 3.15Å; S246-F249 PolarHBondContact OG-N 3.09Å; P247-F249 PolarHBondContact O-N 2.9Å; F249-I251 PolarHBondContact O-N 3.13Å; F249-A252 PolarHBondContact O-N 2.73Å; F249-V253 HydrophobicContact CD1-CG2 4.27Å; F249-V253 HydrophobicContact CD2-CG2 4.29Å; F249-V253 HydrophobicContact CE1-CG2 3.87Å; F249-V253 HydrophobicContact CE2-CG2 3.84Å; F249-V253 HydrophobicContact CG-CG2 4.49Å; F249-V253 HydrophobicContact CZ-CG2 3.64Å; F249-V253 WeakPolarHBondContact O-CG2 3.47Å; F249-V253 PolarHBondContact O-N 3.5Å; F249-I270 HydrophobicContact CZ-CG2 4.45Å; F249-M292 HydrophobicContact CE1-CE 4Å; F249-M292 HydrophobicContact CE1-SD 4.35Å
250	D	98.7	Very high	98.3	Very high	1 Å²	1	4 Å²	4	1%	0.005	3%	0.025	C	C	.	.	H	α-helix	trans	-58.3	-49.3	178.2	-74.6	-8.6	0	0	0	110.6	F182 N196 S245 S246 P247 A252 V253 Y254	F182-D250 HydrophobicContact CE1-CB 3.81Å; F182-D250 HydrophobicContact CZ-CB 4.07Å; N196-D250 PolarHBondContact ND2-OD2 3.39Å; S245-D250 WeakPolarHBondContact CB-OD1 3.46Å; S245-D250 VanDerWaalsContact OG-CG 3.31Å; S245-D250 PolarHBondContact OG-OD1 2.96Å; S245-D250 PolarHBondContact OG-OD2 3.13Å; S246-D250 PolarHBondContact O-N 2.82Å; S246-D250 VanDerWaalsContact O-N 3.16Å; P247-D250 PolarHBondContact O-N 3.31Å; D250-A252 VanDerWaalsContact C-N 3.34Å; D250-A252 PolarHBondContact O-N 3.47Å; D250-V253 PolarHBondContact O-N 3.23Å; D250-Y254 HydrophobicContact CB-CD2 4.33Å; D250-Y254 HydrophobicContact CB-CE2 3.95Å; D250-Y254 WeakPolarHBondContact O-CB 3.44Å; D250-Y254 WeakPolarHBondContact O-CD2 3.3Å; D250-Y254 PolarHBondContact O-N 2.68Å
251	I	98.9	Very high	98.3	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-58.3	-45.6	177.3	-68.6	-74.4	0	0	0	110.8	F125 L129 M135 L159 W163 F182 P247 F249 T255	F125-I251 HydrophobicContact CE1-CD1 4.33Å; F125-I251 HydrophobicContact CE1-CG1 4.29Å; F125-I251 HydrophobicContact CZ-CG1 4.16Å; L129-I251 HydrophobicContact CD1-CB 4.45Å; L129-I251 HydrophobicContact CD1-CG1 4.33Å; L129-I251 HydrophobicContact CD1-CG2 3.96Å; M135-I251 HydrophobicContact CE-CB 4.23Å; M135-I251 HydrophobicContact CE-CG2 3.73Å; L159-I251 HydrophobicContact CD2-CG2 4.46Å; W163-I251 HydrophobicContact CD2-CD1 3.71Å; W163-I251 HydrophobicContact CE3-CD1 4.12Å; W163-I251 HydrophobicContact CG-CD1 4.15Å; W163-I251 HydrophobicContact CH2-CD1 4.2Å; W163-I251 HydrophobicContact CZ2-CD1 3.82Å; W163-I251 HydrophobicContact CZ2-CG2 4.41Å; W163-I251 HydrophobicContact CZ3-CD1 4.36Å; F182-I251 HydrophobicContact CD2-CD1 4.46Å; F182-I251 HydrophobicContact CE2-CD1 3.44Å; F182-I251 VanDerWaalsContact CE2-CD1 3.44Å; F182-I251 HydrophobicContact CE2-CG1 4.35Å; F182-I251 HydrophobicContact CZ-CD1 3.73Å; F182-I251 HydrophobicContact CZ-CG1 4.17Å; P247-I251 WeakPolarHBondContact O-CB 3.33Å; P247-I251 WeakPolarHBondContact O-CG1 3.38Å; P247-I251 PolarHBondContact O-N 3.06Å; F249-I251 PolarHBondContact O-N 3.13Å; I251-T255 WeakPolarHBondContact O-CB 3.05Å; I251-T255 PolarHBondContact O-N 3.19Å; I251-T255 PolarHBondContact O-OG1 3.41Å
252	A	98.9	Very high	98.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63	-50	-178.7	0	0	0	0	0	112.9	L43 V134 M135 T138 E248 F249 D250 Y254 T255 V256	L43-A252 HydrophobicContact CD1-CB 3.81Å; V134-A252 HydrophobicContact CG1-CB 3.62Å; M135-A252 HydrophobicContact CE-CB 4.19Å; T138-A252 HydrophobicContact CG2-CB 4.2Å; T138-A252 WeakPolarHBondContact OG1-CB 3.33Å; E248-A252 WeakPolarHBondContact O-CB 3.37Å; E248-A252 PolarHBondContact O-N 3.04Å; F249-A252 PolarHBondContact O-N 2.73Å; D250-A252 VanDerWaalsContact C-N 3.34Å; D250-A252 PolarHBondContact O-N 3.47Å; A252-Y254 PolarHBondContact O-N 3.38Å; A252-T255 PolarHBondContact O-N 3.34Å; A252-V256 WeakPolarHBondContact O-CB 3.03Å; A252-V256 WeakPolarHBondContact O-CG2 3.32Å; A252-V256 PolarHBondContact O-N 2.95Å
253	V	98.8	Very high	97.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.5	-49.2	179.7	170.3	0	0	0	0	110.3	F40 L43 F249 D250 V256 A257 I277 M292	F40-V253 HydrophobicContact CD1-CG2 4.02Å; F40-V253 HydrophobicContact CD2-CG1 4.33Å; F40-V253 HydrophobicContact CE1-CB 4.39Å; F40-V253 HydrophobicContact CE1-CG1 4.31Å; F40-V253 HydrophobicContact CE1-CG2 4.33Å; F40-V253 HydrophobicContact CE2-CG1 4.12Å; F40-V253 HydrophobicContact CG-CG2 4.27Å; F40-V253 HydrophobicContact CZ-CG1 4.09Å; L43-V253 HydrophobicContact CD1-CG2 4.31Å; F249-V253 HydrophobicContact CD1-CG2 4.27Å; F249-V253 HydrophobicContact CD2-CG2 4.29Å; F249-V253 HydrophobicContact CE1-CG2 3.87Å; F249-V253 HydrophobicContact CE2-CG2 3.84Å; F249-V253 HydrophobicContact CG-CG2 4.49Å; F249-V253 HydrophobicContact CZ-CG2 3.64Å; F249-V253 WeakPolarHBondContact O-CG2 3.47Å; F249-V253 PolarHBondContact O-N 3.5Å; D250-V253 PolarHBondContact O-N 3.23Å; V253-V256 PolarHBondContact O-N 3.19Å; V253-A257 WeakPolarHBondContact O-CB 3.37Å; V253-A257 PolarHBondContact O-N 2.9Å; V253-I277 HydrophobicContact CG1-CD1 3.82Å; V253-M292 HydrophobicContact CG1-SD 4.32Å
254	Y	98.8	Very high	97.7	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-69.4	-37.9	-177.8	-59.9	-29.1	0	0	0	112.8	W163 V181 F182 D250 A252 F258 C290 Y291 M292	W163-Y254 AromaticContact CH2-CD2 3.99Å; W163-Y254 HydrophobicContact CH2-CD2 3.99Å; W163-Y254 HydrophobicContact CH2-CG 4.27Å; V181-Y254 HydrophobicContact CG1-CD2 4.02Å; V181-Y254 HydrophobicContact CG1-CE2 3.95Å; F182-Y254 HydrophobicContact CE1-CE2 4.26Å; F182-Y254 AromaticContact CZ-CD2 3.97Å; F182-Y254 HydrophobicContact CZ-CD2 3.97Å; F182-Y254 HydrophobicContact CZ-CE2 4.19Å; D250-Y254 HydrophobicContact CB-CD2 4.33Å; D250-Y254 HydrophobicContact CB-CE2 3.95Å; D250-Y254 WeakPolarHBondContact O-CB 3.44Å; D250-Y254 WeakPolarHBondContact O-CD2 3.3Å; D250-Y254 PolarHBondContact O-N 2.68Å; A252-Y254 PolarHBondContact O-N 3.38Å; Y254-F258 VanDerWaalsContact O-CB 3.22Å; Y254-F258 WeakPolarHBondContact O-CB 3.39Å; Y254-F258 PolarHBondContact O-N 3.29Å; Y254-C290 HydrophobicContact CD1-CB 4.35Å; Y254-C290 HydrophobicContact CG-CB 4.41Å; Y254-Y291 VanDerWaalsContact CE1-CA 3.44Å; Y254-M292 HydrophobicContact CE1-CE 3.98Å; Y254-M292 HydrophobicContact CE1-CG 3.95Å; Y254-M292 WeakPolarHBondContact OH-CE 3.43Å; Y254-M292 PolarHBondContact OH-N 3.2Å
255	T	98.8	Very high	97.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.2	-48	175	-60.6	0	0	0	0	110.6	L142 F158 L159 L162 W163 I251 A252 A259	L142-T255 HydrophobicContact CD1-CG2 3.89Å; F158-T255 HydrophobicContact CE1-CG2 3.75Å; F158-T255 HydrophobicContact CZ-CG2 4.43Å; L159-T255 HydrophobicContact CD2-CG2 3.74Å; L162-T255 HydrophobicContact CD2-CG2 3.81Å; W163-T255 PolarHBondContact NE1-OG1 2.94Å; I251-T255 WeakPolarHBondContact O-CB 3.05Å; I251-T255 PolarHBondContact O-N 3.19Å; I251-T255 PolarHBondContact O-OG1 3.41Å; A252-T255 PolarHBondContact O-N 3.34Å; T255-A259 WeakPolarHBondContact O-CB 3.27Å; T255-A259 PolarHBondContact O-N 3.22Å
256	V	98.8	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-70.1	-45.3	-177.9	168.1	0	0	0	0	111.6	L36 F39 F40 T138 Y141 L142 A252 V253 F258 A259 L260	L36-V256 HydrophobicContact CD2-CG1 3.62Å; F39-V256 HydrophobicContact CD1-CG1 4.32Å; F39-V256 HydrophobicContact CE1-CG1 4.3Å; F39-V256 HydrophobicContact CE1-CG2 4.01Å; F40-V256 HydrophobicContact CE1-CB 3.88Å; F40-V256 HydrophobicContact CE1-CG1 3.73Å; F40-V256 HydrophobicContact CZ-CB 4.22Å; F40-V256 HydrophobicContact CZ-CG1 3.95Å; T138-V256 HydrophobicContact CG2-CG2 3.65Å; Y141-V256 HydrophobicContact CD1-CG1 3.88Å; Y141-V256 HydrophobicContact CD1-CG2 4.25Å; Y141-V256 HydrophobicContact CE1-CG1 3.6Å; L142-V256 HydrophobicContact CD1-CG2 4.18Å; L142-V256 HydrophobicContact CD2-CG2 4Å; L142-V256 HydrophobicContact CG-CG2 4Å; A252-V256 WeakPolarHBondContact O-CB 3.03Å; A252-V256 WeakPolarHBondContact O-CG2 3.32Å; A252-V256 PolarHBondContact O-N 2.95Å; V253-V256 PolarHBondContact O-N 3.19Å; V256-F258 VanDerWaalsContact C-N 3.33Å; V256-F258 PolarHBondContact O-N 2.91Å; V256-A259 PolarHBondContact O-N 2.83Å; V256-L260 HydrophobicContact CG1-CD1 4.39Å; V256-L260 WeakPolarHBondContact O-CG 3.28Å; V256-L260 PolarHBondContact O-N 3.19Å; V256-L260 VanDerWaalsContact O-N 3.08Å
257	A	98.4	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.7	-47.9	176.5	0	0	0	0	0	111.4	F40 V253 H261 F266 I277	F40-A257 HydrophobicContact CZ-CB 4.33Å; V253-A257 WeakPolarHBondContact O-CB 3.37Å; V253-A257 PolarHBondContact O-N 2.9Å; A257-H261 CarbonylContact O-C 3.59Å; A257-H261 WeakPolarHBondContact O-CA 3.23Å; A257-H261 PolarHBondContact O-N 2.82Å; A257-F266 HydrophobicContact CB-CE1 4.25Å; A257-F266 HydrophobicContact CB-CZ 3.71Å; A257-I277 HydrophobicContact CB-CG2 3.72Å
258	F	98.3	Very high	97.5	Very high	10 Å²	10	20.1 Å²	20.1	4%	0.044	12%	0.117	C	C	.	.	H	α-helix	trans	-68.1	-42.9	179.5	-177.2	-101.8	0	0	0	112.3	L162 Y254 V256 L260 P262 C279 E281 M287	L162-F258 HydrophobicContact CD1-CD1 3.68Å; L162-F258 HydrophobicContact CD1-CE1 3.75Å; Y254-F258 VanDerWaalsContact O-CB 3.22Å; Y254-F258 WeakPolarHBondContact O-CB 3.39Å; Y254-F258 PolarHBondContact O-N 3.29Å; V256-F258 VanDerWaalsContact C-N 3.33Å; V256-F258 PolarHBondContact O-N 2.91Å; F258-L260 VanDerWaalsContact C-N 3.27Å; F258-L260 PolarHBondContact O-N 3Å; F258-P262 HydrophobicContact CD2-CB 3.93Å; F258-P262 HydrophobicContact CE2-CB 3.61Å; F258-P262 HydrophobicContact CZ-CB 3.95Å; F258-P262 VanDerWaalsContact O-CA 3.3Å; F258-P262 WeakPolarHBondContact O-CA 3.18Å; F258-P262 WeakPolarHBondContact O-CB 3.33Å; F258-P262 VanDerWaalsContact O-CD 3.3Å; F258-P262 WeakPolarHBondContact O-CD 3.48Å; F258-C279 HydrophobicContact CD2-CB 4.21Å; F258-C279 PolarHBondContact N-SG 3.09Å; F258-E281 HydrophobicContact CE2-CB 3.93Å; F258-E281 HydrophobicContact CE2-CG 4.36Å; F258-E281 HydrophobicContact CZ-CB 4.16Å; F258-E281 HydrophobicContact CZ-CG 4.09Å; F258-M287 HydrophobicContact CB-SD 3.7Å; F258-M287 HydrophobicContact CD1-CB 3.96Å; F258-M287 HydrophobicContact CD1-CG 4.43Å; F258-M287 HydrophobicContact CD1-SD 4.32Å; F258-M287 HydrophobicContact CD2-CB 3.82Å; F258-M287 HydrophobicContact CD2-CG 3.64Å; F258-M287 HydrophobicContact CD2-SD 3.89Å; F258-M287 HydrophobicContact CE1-CB 3.79Å; F258-M287 HydrophobicContact CE2-CB 3.67Å; F258-M287 HydrophobicContact CE2-CG 3.89Å; F258-M287 HydrophobicContact CG-CB 3.98Å; F258-M287 HydrophobicContact CG-CG 3.95Å; F258-M287 HydrophobicContact CG-SD 3.7Å; F258-M287 VanDerWaalsContact CZ-CA 3.43Å; F258-M287 HydrophobicContact CZ-CB 3.66Å; F258-M287 HydrophobicContact CZ-CG 4.38Å
259	A	97.8	Very high	97.4	Very high	19 Å²	19	22.2 Å²	22.2	16%	0.157	13%	0.128	C	C	.	.	H	α-helix	trans	-62.5	-33.1	-179.6	0	0	0	0	0	113.1	L142 K147 T255 V256	L142-A259 HydrophobicContact CD2-CB 3.83Å; K147-A259 HydrophobicContact CB-CB 4.35Å; K147-A259 WeakPolarHBondContact CD-O 3.35Å; K147-A259 WeakPolarHBondContact CE-O 3.46Å; K147-A259 HydrophobicContact CG-CB 4.4Å; K147-A259 PolarHBondContact NZ-O 3.4Å; T255-A259 WeakPolarHBondContact O-CB 3.27Å; T255-A259 PolarHBondContact O-N 3.22Å; V256-A259 PolarHBondContact O-N 2.83Å
260	L	97.1	Very high	97.4	Very high	35 Å²	35	22.4 Å²	22.4	18%	0.183	13%	0.129	C	C	.	.	H	α-helix	trans	-87.8	-43	177.4	-63.6	-169.3	0	0	0	112.8	L36 Y141 K145 K147 V256 F258	L36-L260 HydrophobicContact CD1-CD1 4.27Å; L36-L260 HydrophobicContact CD2-CD1 3.86Å; L36-L260 HydrophobicContact CG-CD1 4.3Å; Y141-L260 HydrophobicContact CE1-CD1 4.06Å; K145-L260 HydrophobicContact CB-CD2 4.05Å; K145-L260 HydrophobicContact CG-CD2 4.19Å; K147-L260 HydrophobicContact CD-CD2 4.33Å; K147-L260 HydrophobicContact CG-CD2 3.83Å; V256-L260 HydrophobicContact CG1-CD1 4.39Å; V256-L260 WeakPolarHBondContact O-CG 3.28Å; V256-L260 PolarHBondContact O-N 3.19Å; V256-L260 VanDerWaalsContact O-N 3.08Å; F258-L260 VanDerWaalsContact C-N 3.27Å; F258-L260 PolarHBondContact O-N 3Å
261	H	95.8	Very high	97.3	Very high	61 Å²	61	24.9 Å²	24.9	28%	0.282	15%	0.15	S	C	.	.			trans	-135	64.1	-168.4	-49.3	-66.1	0	0	0	112.3	D33 A257 T263 S264 F266	D33-H261 IonicContact OD2-CD2 2.68Å; D33-H261 IonicContact OD2-CE1 3.45Å; D33-H261 IonicContact OD2-NE2 2.71Å; D33-H261 PolarHBondContact OD2-NE2 2.9Å; A257-H261 CarbonylContact O-C 3.59Å; A257-H261 WeakPolarHBondContact O-CA 3.23Å; A257-H261 PolarHBondContact O-N 2.82Å; H261-T263 VanDerWaalsContact C-N 3.26Å; H261-T263 PolarHBondContact O-N 3.33Å; H261-T263 VanDerWaalsContact O-N 3.12Å; H261-S264 WeakPolarHBondContact CB-OG 3.19Å; H261-S264 PolarHBondContact O-OG 3.24Å; H261-F266 HydrophobicContact CB-CD1 4.21Å; H261-F266 HydrophobicContact CB-CE1 3.94Å; H261-F266 AromaticContact CD2-CE1 3.78Å; H261-F266 AromaticContact CD2-CZ 3.88Å
262	P	94.4	Very high	97.1	Very high	34 Å²	34	28 Å²	28	22%	0.221	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.2	-166.7	24.2	-34.9	0	0	0	115.1	F258 C279 H280 E281	F258-P262 HydrophobicContact CD2-CB 3.93Å; F258-P262 HydrophobicContact CE2-CB 3.61Å; F258-P262 HydrophobicContact CZ-CB 3.95Å; F258-P262 VanDerWaalsContact O-CA 3.3Å; F258-P262 WeakPolarHBondContact O-CA 3.18Å; F258-P262 WeakPolarHBondContact O-CB 3.33Å; F258-P262 VanDerWaalsContact O-CD 3.3Å; F258-P262 WeakPolarHBondContact O-CD 3.48Å; P262-C279 CarbonylContact O-C 3.53Å; P262-H280 CarbonylContact O-C 3.56Å; P262-H280 WeakPolarHBondContact O-CA 3.33Å; P262-H280 PolarHBondContact O-N 3.43Å; P262-E281 HydrophobicContact CB-CB 4.27Å; P262-E281 PolarHBondContact O-N 3.33Å; P262-E281 VanDerWaalsContact O-N 3.15Å
263	T	93.4	Very high	97	Very high	99 Å²	99	28.5 Å²	28.5	61%	0.607	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.5	61.2	-177.6	46.3	0	0	0	0	110.8	H261 E281	H261-T263 VanDerWaalsContact C-N 3.26Å; H261-T263 PolarHBondContact O-N 3.33Å; H261-T263 VanDerWaalsContact O-N 3.12Å; T263-E281 HydrophobicContact CG2-CB 3.62Å
264	S	93	Very high	96.9	Very high	32 Å²	32	36.1 Å²	36.1	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.9	-170.8	74.7	0	0	0	0	114	H261 F266 C279	H261-S264 WeakPolarHBondContact CB-OG 3.19Å; H261-S264 PolarHBondContact O-OG 3.24Å; S264-F266 VanDerWaalsContact OG-CD1 3.3Å; S264-F266 WeakPolarHBondContact OG-CD1 3.39Å; S264-C279 PolarHBondContact N-O 3.28Å; S264-C279 PolarHBondContact O-N 2.82Å
265	V	96.5	Very high	96.9	Very high	71 Å²	71	36.2 Å²	36.2	43%	0.43	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.2	166	-178.6	0	0	0	0	106.4	V30 R276 I277 T278	V30-V265 HydrophobicContact CG1-CG1 4.48Å; V30-V265 VanDerWaalsContact CG1-O 3.31Å; V30-V265 WeakPolarHBondContact CG1-O 3.34Å; V30-V265 HydrophobicContact CG2-CG1 4.29Å; V265-R276 VanDerWaalsContact CG1-CD 3.42Å; V265-R276 HydrophobicContact CG1-CG 3.64Å; V265-I277 WeakPolarHBondContact CA-O 3.24Å; V265-T278 HydrophobicContact CG2-CG2 4Å
266	F	97.3	Very high	96.8	Very high	14 Å²	14	41 Å²	41	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	153.3	-180	63.9	-82.3	0	0	0	111	V30 D33 L36 F40 A257 H261 S264 V268 I277	V30-F266 HydrophobicContact CG1-CB 4.48Å; D33-F266 HydrophobicContact CB-CD2 4Å; L36-F266 HydrophobicContact CD1-CD2 4.35Å; L36-F266 HydrophobicContact CD1-CE2 3.49Å; L36-F266 VanDerWaalsContact CD1-CE2 3.49Å; L36-F266 HydrophobicContact CD1-CZ 3.8Å; F40-F266 HydrophobicContact CE2-CE2 4.5Å; A257-F266 HydrophobicContact CB-CE1 4.25Å; A257-F266 HydrophobicContact CB-CZ 3.71Å; H261-F266 HydrophobicContact CB-CD1 4.21Å; H261-F266 HydrophobicContact CB-CE1 3.94Å; H261-F266 AromaticContact CD2-CE1 3.78Å; H261-F266 AromaticContact CD2-CZ 3.88Å; S264-F266 VanDerWaalsContact OG-CD1 3.3Å; S264-F266 WeakPolarHBondContact OG-CD1 3.39Å; F266-V268 HydrophobicContact CD2-CG1 3.82Å; F266-V268 HydrophobicContact CE2-CG1 3.71Å; F266-I277 HydrophobicContact CE1-CB 4.11Å; F266-I277 HydrophobicContact CE1-CG2 3.99Å; F266-I277 HydrophobicContact CE2-CB 4.15Å; F266-I277 HydrophobicContact CE2-CD1 4.11Å; F266-I277 HydrophobicContact CZ-CB 3.87Å; F266-I277 HydrophobicContact CZ-CD1 4.2Å; F266-I277 HydrophobicContact CZ-CG2 3.87Å; F266-I277 PolarHBondContact N-O 3.25Å; F266-I277 PolarHBondContact O-N 3.48Å
267	D	97.5	Very high	96.8	Very high	41 Å²	41	41 Å²	41	22%	0.219	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.8	179.4	-70.3	-15.5	0	0	0	108.8	V30 E32 D33 V275 R276	V30-D267 HydrophobicContact CG1-CB 4.21Å; E32-D267 CarbonylContact C-O 3.43Å; E32-D267 VanDerWaalsContact CA-O 3.24Å; E32-D267 WeakPolarHBondContact CA-O 3.24Å; D33-D267 PolarHBondContact N-O 3.24Å; D267-V275 WeakPolarHBondContact CA-O 3.45Å; D267-R276 WeakPolarHBondContact OD1-CB 3.31Å; D267-R276 IonicContact OD1-CZ 2.91Å; D267-R276 IonicContact OD1-NE 3.02Å; D267-R276 PolarHBondContact OD1-NE 3.4Å; D267-R276 IonicContact OD1-NH2 3.87Å; D267-R276 PolarHBondContact OD1-NH2 3.4Å; D267-R276 VanDerWaalsContact OD1-NH2 3.12Å; D267-R276 IonicContact OD2-CZ 3.93Å; D267-R276 IonicContact OD2-NE 3.13Å; D267-R276 IonicContact OD2-NH2 2.63Å; D267-R276 PolarHBondContact OD2-NH2 2.98Å
268	V	98.2	Very high	96.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.2	172.2	-66.7	0	0	0	0	110.1	D33 L36 S37 F40 F266 I270 V275 I277	D33-V268 HydrophobicContact CB-CG1 4.36Å; L36-V268 HydrophobicContact CB-CG1 3.96Å; S37-V268 VanDerWaalsContact OG-CA 3.31Å; S37-V268 WeakPolarHBondContact OG-CA 3.41Å; F40-V268 HydrophobicContact CD2-CB 4.41Å; F40-V268 HydrophobicContact CD2-CG1 4.11Å; F40-V268 HydrophobicContact CD2-CG2 4.17Å; F40-V268 HydrophobicContact CE2-CG1 4.27Å; F266-V268 HydrophobicContact CD2-CG1 3.82Å; F266-V268 HydrophobicContact CE2-CG1 3.71Å; V268-I270 HydrophobicContact CG2-CD1 4.06Å; V268-I270 HydrophobicContact CG2-CG1 3.93Å; V268-V275 HydrophobicContact CG2-CB 4.06Å; V268-V275 PolarHBondContact N-O 3.09Å; V268-V275 PolarHBondContact O-N 3.27Å; V268-I277 HydrophobicContact CG1-CD1 4.45Å; V268-I277 HydrophobicContact CG2-CD1 3.75Å; V268-I277 HydrophobicContact CG2-CG1 4.19Å
269	N	97.8	Very high	96.7	Very high	46 Å²	46	42 Å²	42	25%	0.246	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	109.2	170.5	-170.9	-27.5	0	0	0	109.7	S37 T41 G272 C273	S37-N269 CarbonylContact C-O 3.52Å; S37-N269 WeakPolarHBondContact CB-O 3.36Å; S37-N269 VanDerWaalsContact O-O 3.12Å; S37-N269 PolarHBondContact OG-N 3.14Å; T41-N269 PolarHBondContact OG1-O 3.22Å; T41-N269 VanDerWaalsContact OG1-O 3.14Å; N269-G272 VanDerWaalsContact OD1-C 3.26Å; N269-G272 WeakPolarHBondContact OD1-CA 3.06Å; N269-G272 PolarHBondContact OD1-N 2.92Å; N269-C273 CarbonylContact C-O 3.51Å; N269-C273 WeakPolarHBondContact CA-O 3.42Å; N269-C273 PolarHBondContact OD1-N 3.02Å
270	I	98.1	Very high	96.6	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	104.9	-179	-54.9	-179.5	0	0	0	108.2	F40 T41 Y44 F249 V268 G272 C273 V275 M292	F40-I270 HydrophobicContact CB-CD1 3.95Å; F40-I270 HydrophobicContact CB-CG1 3.87Å; F40-I270 HydrophobicContact CD2-CD1 4.47Å; T41-I270 WeakPolarHBondContact OG1-CA 3.34Å; Y44-I270 HydrophobicContact CD2-CG2 4.15Å; Y44-I270 HydrophobicContact CG-CG2 3.97Å; F249-I270 HydrophobicContact CZ-CG2 4.45Å; V268-I270 HydrophobicContact CG2-CD1 4.06Å; V268-I270 HydrophobicContact CG2-CG1 3.93Å; I270-G272 PolarHBondContact O-N 2.68Å; I270-G272 VanDerWaalsContact O-N 3.11Å; I270-C273 PolarHBondContact N-O 2.82Å; I270-C273 WeakPolarHBondContact O-CA 3.44Å; I270-C273 WeakPolarHBondContact O-CB 3.29Å; I270-C273 PolarHBondContact O-N 2.8Å; I270-V275 HydrophobicContact CD1-CG2 4.24Å; I270-V275 HydrophobicContact CG1-CG2 4.49Å; I270-M292 HydrophobicContact CD1-SD 4.25Å
271	A	96.4	Very high	96.5	Very high	53 Å²	53	46.6 Å²	46.6	44%	0.438	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	37.4	179	0	0	0	0	0	114.5	T41 Y44	T41-A271 HydrophobicContact CG2-CB 4.17Å; T41-A271 PolarHBondContact OG1-N 2.73Å; Y44-A271 HydrophobicContact CD1-CB 3.66Å; Y44-A271 HydrophobicContact CE1-CB 3.96Å; Y44-A271 HydrophobicContact CG-CB 4.41Å
272	G	96.1	Very high	96.3	Very high	66 Å²	66	46 Å²	46	68%	0.68	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-6	-177.5	0	0	0	0	0	114.7	N269 I270	N269-G272 VanDerWaalsContact OD1-C 3.26Å; N269-G272 WeakPolarHBondContact OD1-CA 3.06Å; N269-G272 PolarHBondContact OD1-N 2.92Å; I270-G272 PolarHBondContact O-N 2.68Å; I270-G272 VanDerWaalsContact O-N 3.11Å
273	C	96.4	Very high	96.1	Very high	11 Å²	11	49.3 Å²	49.3	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.1	175.4	173.6	0	0	0	0	110.4	C219 N269 I270 V275	C219-C273 HydrophobicContact CB-CB 3.64Å; C219-C273 WeakPolarHBondContact CB-SG 3.37Å; C219-C273 WeakPolarHBondContact SG-CA 3.24Å; C219-C273 WeakPolarHBondContact SG-CB 3.46Å; C219-C273 CovalentContact SG-SG 1.98Å; C219-C273 PolarHBondContact SG-SG 3.39Å; N269-C273 CarbonylContact C-O 3.51Å; N269-C273 WeakPolarHBondContact CA-O 3.42Å; N269-C273 PolarHBondContact OD1-N 3.02Å; I270-C273 PolarHBondContact N-O 2.82Å; I270-C273 WeakPolarHBondContact O-CA 3.44Å; I270-C273 WeakPolarHBondContact O-CB 3.29Å; I270-C273 PolarHBondContact O-N 2.8Å; C273-V275 HydrophobicContact CB-CG2 4.38Å; C273-V275 PolarHBondContact O-N 3.41Å; C273-V275 WeakPolarHBondContact SG-CG2 3.5Å
274	K	96.5	Very high	95.9	Very high	160 Å²	160	49.8 Å²	49.8	70%	0.696	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.5	170.9	-67.3	-173.5	179.9	-174.7	0	109.6
275	V	97.4	Very high	95.7	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.9	-176.4	-178.6	0	0	0	0	109.2	L223 F242 D267 V268 I270 C273 I277 M292	L223-V275 HydrophobicContact CD2-CB 4.35Å; L223-V275 HydrophobicContact CD2-CG1 3.99Å; L223-V275 HydrophobicContact CD2-CG2 4.03Å; F242-V275 HydrophobicContact CE2-CG2 4.49Å; D267-V275 WeakPolarHBondContact CA-O 3.45Å; V268-V275 HydrophobicContact CG2-CB 4.06Å; V268-V275 PolarHBondContact N-O 3.09Å; V268-V275 PolarHBondContact O-N 3.27Å; I270-V275 HydrophobicContact CD1-CG2 4.24Å; I270-V275 HydrophobicContact CG1-CG2 4.49Å; C273-V275 HydrophobicContact CB-CG2 4.38Å; C273-V275 PolarHBondContact O-N 3.41Å; C273-V275 WeakPolarHBondContact SG-CG2 3.5Å; V275-I277 HydrophobicContact CG1-CG1 4.34Å; V275-M292 HydrophobicContact CG1-CB 3.52Å; V275-M292 HydrophobicContact CG1-CG 3.5Å; V275-M292 HydrophobicContact CG1-SD 4.13Å
276	R	97.4	Very high	95.5	Very high	101 Å²	101	50.8 Å²	50.8	38%	0.381	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.1	167.4	179.1	158.9	-71.2	178.6	7.2	109.2	V265 D267 M292 G293	V265-R276 VanDerWaalsContact CG1-CD 3.42Å; V265-R276 HydrophobicContact CG1-CG 3.64Å; D267-R276 WeakPolarHBondContact OD1-CB 3.31Å; D267-R276 IonicContact OD1-CZ 2.91Å; D267-R276 IonicContact OD1-NE 3.02Å; D267-R276 PolarHBondContact OD1-NE 3.4Å; D267-R276 IonicContact OD1-NH2 3.87Å; D267-R276 PolarHBondContact OD1-NH2 3.4Å; D267-R276 VanDerWaalsContact OD1-NH2 3.12Å; D267-R276 IonicContact OD2-CZ 3.93Å; D267-R276 IonicContact OD2-NE 3.13Å; D267-R276 IonicContact OD2-NH2 2.63Å; D267-R276 PolarHBondContact OD2-NH2 2.98Å; R276-M292 CarbonylContact O-C 3.58Å; R276-M292 WeakPolarHBondContact O-CA 3.25Å; R276-G293 WeakPolarHBondContact CB-O 3.35Å; R276-G293 PolarHBondContact N-O 3.28Å; R276-G293 PolarHBondContact O-N 2.81Å
277	I	98.1	Very high	95.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.5	171.6	-62.7	172.3	0	0	0	108	F40 V253 A257 V265 F266 V268 V275 C290 Y291 M292	F40-I277 HydrophobicContact CD2-CD1 3.91Å; F40-I277 HydrophobicContact CE2-CD1 3.42Å; F40-I277 VanDerWaalsContact CE2-CD1 3.42Å; F40-I277 HydrophobicContact CZ-CD1 4.34Å; V253-I277 HydrophobicContact CG1-CD1 3.82Å; A257-I277 HydrophobicContact CB-CG2 3.72Å; V265-I277 WeakPolarHBondContact CA-O 3.24Å; F266-I277 HydrophobicContact CE1-CB 4.11Å; F266-I277 HydrophobicContact CE1-CG2 3.99Å; F266-I277 HydrophobicContact CE2-CB 4.15Å; F266-I277 HydrophobicContact CE2-CD1 4.11Å; F266-I277 HydrophobicContact CZ-CB 3.87Å; F266-I277 HydrophobicContact CZ-CD1 4.2Å; F266-I277 HydrophobicContact CZ-CG2 3.87Å; F266-I277 PolarHBondContact N-O 3.25Å; F266-I277 PolarHBondContact O-N 3.48Å; V268-I277 HydrophobicContact CG1-CD1 4.45Å; V268-I277 HydrophobicContact CG2-CD1 3.75Å; V268-I277 HydrophobicContact CG2-CG1 4.19Å; V275-I277 HydrophobicContact CG1-CG1 4.34Å; I277-C290 VanDerWaalsContact CG2-SG 3.52Å; I277-Y291 WeakPolarHBondContact CA-O 3.35Å; I277-M292 HydrophobicContact CG1-CG 4.08Å
278	T	97.5	Very high	95.4	Very high	27 Å²	27	48.2 Å²	48.2	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	116	175.6	-61.4	0	0	0	0	108	V265 C290 Y291	V265-T278 HydrophobicContact CG2-CG2 4Å; T278-C290 VanDerWaalsContact O-CA 3.24Å; T278-C290 WeakPolarHBondContact O-CA 3.32Å; T278-C290 PolarHBondContact O-SG 3.33Å; T278-C290 VanDerWaalsContact O-SG 3.36Å; T278-Y291 HydrophobicContact CG2-CE1 3.97Å; T278-Y291 PolarHBondContact N-O 2.92Å; T278-Y291 VanDerWaalsContact N-O 3.07Å; T278-Y291 PolarHBondContact O-N 3.02Å; T278-Y291 VanDerWaalsContact O-N 3.09Å
279	C	97.6	Very high	95.3	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.6	171.2	-63.3	0	0	0	0	110.2	F258 P262 S264 T289 C290	F258-C279 HydrophobicContact CD2-CB 4.21Å; F258-C279 PolarHBondContact N-SG 3.09Å; P262-C279 CarbonylContact O-C 3.53Å; S264-C279 PolarHBondContact N-O 3.28Å; S264-C279 PolarHBondContact O-N 2.82Å; C279-T289 CarbonylContact C-O 3.55Å; C279-T289 WeakPolarHBondContact CA-O 3.33Å; C279-C290 VanDerWaalsContact CA-SG 3.57Å; C279-C290 HydrophobicContact CB-CB 3.85Å; C279-C290 WeakPolarHBondContact CB-SG 3.4Å; C279-C290 WeakPolarHBondContact SG-CB 3.5Å; C279-C290 CovalentContact SG-SG 2.05Å; C279-C290 PolarHBondContact SG-SG 3Å
280	H	96.5	Very high	95.3	Very high	97 Å²	97	46.7 Å²	46.7	45%	0.449	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	132.6	174.2	174.4	-76.3	0	0	0	110.4	P262 G288 T289	P262-H280 CarbonylContact O-C 3.56Å; P262-H280 WeakPolarHBondContact O-CA 3.33Å; P262-H280 PolarHBondContact O-N 3.43Å; H280-G288 VanDerWaalsContact O-CA 3.3Å; H280-G288 WeakPolarHBondContact O-CA 3.43Å; H280-G288 PolarHBondContact O-N 2.78Å; H280-T289 HydrophobicContact CB-CG2 3.97Å; H280-T289 PolarHBondContact N-O 3.29Å; H280-T289 PolarHBondContact O-N 3.09Å; H280-T289 VanDerWaalsContact O-N 3.14Å
281	E	95.1	Very high	95.2	Very high	52 Å²	52	49.5 Å²	49.5	24%	0.243	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.4	175.8	-175.2	175.2	-130.4	0	0	110.9	F258 P262 T263 F283 P284 S285	F258-E281 HydrophobicContact CE2-CB 3.93Å; F258-E281 HydrophobicContact CE2-CG 4.36Å; F258-E281 HydrophobicContact CZ-CB 4.16Å; F258-E281 HydrophobicContact CZ-CG 4.09Å; P262-E281 HydrophobicContact CB-CB 4.27Å; P262-E281 PolarHBondContact O-N 3.33Å; P262-E281 VanDerWaalsContact O-N 3.15Å; T263-E281 HydrophobicContact CG2-CB 3.62Å; E281-F283 WeakPolarHBondContact CG-O 3.43Å; E281-P284 VanDerWaalsContact OE1-CA 3.27Å; E281-P284 WeakPolarHBondContact OE1-CA 3.33Å; E281-S285 PolarHBondContact OE1-N 3.21Å
282	L	90.9	Very high	95.3	Very high	50 Å²	50	47 Å²	47	26%	0.262	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-48.1	173.6	-75.6	171.1	0	0	0	111.9	Y167 E286	Y167-L282 HydrophobicContact CD2-CD1 3.73Å; Y167-L282 HydrophobicContact CE1-CD1 4.45Å; Y167-L282 HydrophobicContact CE2-CD1 3.28Å; L282-E286 PolarHBondContact N-O 3.35Å
283	F	90.2	Very high	95.2	Very high	102 Å²	102	45.2 Å²	45.2	45%	0.447	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.5	177.1	-62.5	-78.1	0	0	0	107.9	E281 S285 E286	E281-F283 WeakPolarHBondContact CG-O 3.43Å; F283-S285 PolarHBondContact O-N 3.34Å; F283-S285 VanDerWaalsContact O-N 3.11Å; F283-E286 HydrophobicContact CB-CB 4.19Å; F283-E286 HydrophobicContact CB-CG 4.33Å; F283-E286 VanDerWaalsContact CD2-OE2 3.23Å; F283-E286 WeakPolarHBondContact CD2-OE2 3.2Å; F283-E286 WeakPolarHBondContact O-CA 3.4Å; F283-E286 WeakPolarHBondContact O-CB 3.33Å; F283-E286 PolarHBondContact O-N 3.26Å
284	P	89.4	Confident	95.2	Very high	110 Å²	110	47 Å²	47	71%	0.714	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.9	122.7	179.6	-29.4	36.3	0	0	0	112.6	E281 E286	E281-P284 VanDerWaalsContact OE1-CA 3.27Å; E281-P284 WeakPolarHBondContact OE1-CA 3.33Å; P284-E286 PolarHBondContact O-N 3.08Å
285	S	88.3	Confident	95.1	Very high	89 Å²	89	41 Å²	41	62%	0.622	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	4.9	-176	-44.6	0	0	0	0	116.6	E281 F283	E281-S285 PolarHBondContact OE1-N 3.21Å; F283-S285 PolarHBondContact O-N 3.34Å; F283-S285 VanDerWaalsContact O-N 3.11Å
286	E	93.2	Very high	95	Very high	34 Å²	34	43.2 Å²	43.2	16%	0.159	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	105	178.9	-63.2	-173.3	170.6	0	0	110.6	K165 Y167 L282 F283 P284 G288	K165-E286 IonicContact NZ-OE1 3.34Å; K165-E286 PolarHBondContact NZ-OE1 2.9Å; Y167-E286 WeakPolarHBondContact CB-OE2 3.37Å; Y167-E286 HydrophobicContact CD1-CB 4.06Å; Y167-E286 HydrophobicContact CD1-CG 4.41Å; L282-E286 PolarHBondContact N-O 3.35Å; F283-E286 HydrophobicContact CB-CB 4.19Å; F283-E286 HydrophobicContact CB-CG 4.33Å; F283-E286 VanDerWaalsContact CD2-OE2 3.23Å; F283-E286 WeakPolarHBondContact CD2-OE2 3.2Å; F283-E286 WeakPolarHBondContact O-CA 3.4Å; F283-E286 WeakPolarHBondContact O-CB 3.33Å; F283-E286 PolarHBondContact O-N 3.26Å; P284-E286 PolarHBondContact O-N 3.08Å; E286-G288 PolarHBondContact O-N 3.31Å
287	M	96.7	Very high	94.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	116.2	179.5	-178.8	166.5	56.2	0	0	110.8	L162 W163 Y167 A177 F258 C290	L162-M287 HydrophobicContact CD1-CB 4.06Å; L162-M287 HydrophobicContact CD1-CE 4.4Å; L162-M287 HydrophobicContact CG-CE 4.35Å; W163-M287 HydrophobicContact CD2-CE 3.98Å; W163-M287 HydrophobicContact CE3-CE 3.65Å; W163-M287 HydrophobicContact CH2-CE 3.27Å; W163-M287 HydrophobicContact CH2-SD 4.42Å; W163-M287 HydrophobicContact CZ2-CE 3.6Å; W163-M287 HydrophobicContact CZ3-CE 3.27Å; Y167-M287 WeakPolarHBondContact CE1-O 3.22Å; Y167-M287 PolarHBondContact OH-O 3.27Å; Y167-M287 VanDerWaalsContact OH-O 3.09Å; A177-M287 HydrophobicContact CB-CB 4.01Å; A177-M287 HydrophobicContact CB-CE 3.73Å; A177-M287 HydrophobicContact CB-CG 4.39Å; A177-M287 WeakPolarHBondContact CB-O 3.48Å; F258-M287 HydrophobicContact CB-SD 3.7Å; F258-M287 HydrophobicContact CD1-CB 3.96Å; F258-M287 HydrophobicContact CD1-CG 4.43Å; F258-M287 HydrophobicContact CD1-SD 4.32Å; F258-M287 HydrophobicContact CD2-CB 3.82Å; F258-M287 HydrophobicContact CD2-CG 3.64Å; F258-M287 HydrophobicContact CD2-SD 3.89Å; F258-M287 HydrophobicContact CE1-CB 3.79Å; F258-M287 HydrophobicContact CE2-CB 3.67Å; F258-M287 HydrophobicContact CE2-CG 3.89Å; F258-M287 HydrophobicContact CG-CB 3.98Å; F258-M287 HydrophobicContact CG-CG 3.95Å; F258-M287 HydrophobicContact CG-SD 3.7Å; F258-M287 VanDerWaalsContact CZ-CA 3.43Å; F258-M287 HydrophobicContact CZ-CB 3.66Å; F258-M287 HydrophobicContact CZ-CG 4.38Å; M287-C290 HydrophobicContact SD-CB 3.64Å
288	G	94.6	Very high	94.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-37.1	172.9	0	0	0	0	0	113.2	R169 H180 H280 E286	R169-G288 PolarHBondContact NH2-O 3.48Å; H180-G288 PolarHBondContact CD2-O 3.41Å; H280-G288 VanDerWaalsContact O-CA 3.3Å; H280-G288 WeakPolarHBondContact O-CA 3.43Å; H280-G288 PolarHBondContact O-N 2.78Å; E286-G288 PolarHBondContact O-N 3.31Å
289	T	96.3	Very high	94.4	Very high	17 Å²	17	43.3 Å²	43.3	10%	0.104	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	151.5	171.2	-167.4	0	0	0	0	109.1	H180 C279 H280 Y291	H180-T289 VanDerWaalsContact CD2-CB 3.43Å; H180-T289 WeakPolarHBondContact CD2-CB 3.39Å; H180-T289 PolarHBondContact CD2-OG1 2.95Å; H180-T289 WeakPolarHBondContact NE2-CB 3.31Å; H180-T289 PolarHBondContact NE2-OG1 3.39Å; C279-T289 CarbonylContact C-O 3.55Å; C279-T289 WeakPolarHBondContact CA-O 3.33Å; H280-T289 HydrophobicContact CB-CG2 3.97Å; H280-T289 PolarHBondContact N-O 3.29Å; H280-T289 PolarHBondContact O-N 3.09Å; H280-T289 VanDerWaalsContact O-N 3.14Å; T289-Y291 HydrophobicContact CG2-CD1 4.38Å; T289-Y291 HydrophobicContact CG2-CE1 4.37Å
290	C	97.8	Very high	94.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	136.5	154.1	-161.5	0	0	0	0	110.2	V181 Y254 I277 T278 C279 M287	V181-C290 WeakPolarHBondContact CG1-O 3.38Å; Y254-C290 HydrophobicContact CD1-CB 4.35Å; Y254-C290 HydrophobicContact CG-CB 4.41Å; I277-C290 VanDerWaalsContact CG2-SG 3.52Å; T278-C290 VanDerWaalsContact O-CA 3.24Å; T278-C290 WeakPolarHBondContact O-CA 3.32Å; T278-C290 PolarHBondContact O-SG 3.33Å; T278-C290 VanDerWaalsContact O-SG 3.36Å; C279-C290 VanDerWaalsContact CA-SG 3.57Å; C279-C290 HydrophobicContact CB-CB 3.85Å; C279-C290 WeakPolarHBondContact CB-SG 3.4Å; C279-C290 WeakPolarHBondContact SG-CB 3.5Å; C279-C290 CovalentContact SG-SG 2.05Å; C279-C290 PolarHBondContact SG-SG 3Å; M287-C290 HydrophobicContact SD-CB 3.64Å
291	Y	97.8	Very high	94	Very high	63 Å²	63	42.1 Å²	42.1	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	155.9	-176.4	66.2	-88.9	0	0	0	112.9	H195 S240 Y254 I277 T278 T289	H195-Y291 AromaticContact CE1-CD1 3.78Å; H195-Y291 AromaticContact CE1-CD2 3.65Å; H195-Y291 AromaticContact CE1-CG 3.49Å; H195-Y291 VanDerWaalsContact CE1-CG 3.49Å; H195-Y291 VanDerWaalsContact CG-CB 3.43Å; H195-Y291 AromaticContact CG-CG 3.9Å; H195-Y291 AromaticContact ND1-CD2 3.74Å; H195-Y291 AromaticContact ND1-CG 3.59Å; H195-Y291 AromaticContact NE2-CD1 3.74Å; H195-Y291 AromaticContact NE2-CG 3.84Å; S240-Y291 WeakPolarHBondContact OG-CD2 3.35Å; Y254-Y291 VanDerWaalsContact CE1-CA 3.44Å; I277-Y291 WeakPolarHBondContact CA-O 3.35Å; T278-Y291 HydrophobicContact CG2-CE1 3.97Å; T278-Y291 PolarHBondContact N-O 2.92Å; T278-Y291 VanDerWaalsContact N-O 3.07Å; T278-Y291 PolarHBondContact O-N 3.02Å; T278-Y291 VanDerWaalsContact O-N 3.09Å; T289-Y291 HydrophobicContact CG2-CD1 4.38Å; T289-Y291 HydrophobicContact CG2-CE1 4.37Å
292	M	97.7	Very high	93.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.6	169.2	-72.8	176.4	-77.5	0	0	110.3	L223 S240 F242 F249 V253 Y254 I270 V275 R276 I277	L223-M292 HydrophobicContact CD1-CB 4.31Å; S240-M292 WeakPolarHBondContact CB-O 3.49Å; S240-M292 PolarHBondContact OG-O 2.54Å; F242-M292 HydrophobicContact CB-CE 3.71Å; F242-M292 HydrophobicContact CB-SD 4.45Å; F242-M292 HydrophobicContact CD1-CE 4.39Å; F242-M292 HydrophobicContact CD2-CE 4.1Å; F242-M292 HydrophobicContact CD2-SD 3.77Å; F242-M292 HydrophobicContact CE2-SD 4.24Å; F242-M292 HydrophobicContact CG-CE 3.82Å; F242-M292 HydrophobicContact CG-SD 4.13Å; F249-M292 HydrophobicContact CE1-CE 4Å; F249-M292 HydrophobicContact CE1-SD 4.35Å; V253-M292 HydrophobicContact CG1-SD 4.32Å; Y254-M292 HydrophobicContact CE1-CE 3.98Å; Y254-M292 HydrophobicContact CE1-CG 3.95Å; Y254-M292 WeakPolarHBondContact OH-CE 3.43Å; Y254-M292 PolarHBondContact OH-N 3.2Å; I270-M292 HydrophobicContact CD1-SD 4.25Å; V275-M292 HydrophobicContact CG1-CB 3.52Å; V275-M292 HydrophobicContact CG1-CG 3.5Å; V275-M292 HydrophobicContact CG1-SD 4.13Å; R276-M292 CarbonylContact O-C 3.58Å; R276-M292 WeakPolarHBondContact O-CA 3.25Å; I277-M292 HydrophobicContact CG1-CG 4.08Å
293	G	94	Very high	94.2	Very high	28 Å²	28	40.5 Å²	40.5	29%	0.289	24%	0.236	S	C	.	.			trans	-153.3	0	-177.9	0	0	0	0	0	115.2	R276	R276-G293 WeakPolarHBondContact CB-O 3.35Å; R276-G293 PolarHBondContact N-O 3.28Å; R276-G293 PolarHBondContact O-N 2.81Å

Retrieved 293 of 293 residues in 224.2 ms (Link to these results)

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