A0A5K4EZR9_SCHMA Loading...

Aminopeptidase P homologue (M24 family)

AlphaFold DB , UniProt , Accession A0A5K4EZR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 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	37.9	Very low	37.8	Very low	239 Å²	239	170.4 Å²	170.4	100%	1.177	87%	0.872	S	S	*	*				0	21.4	0	-82.7	-152.9	-83.3	0	0	113.9	S3	M1-S3 PolarHBondContact O-N 3.47Å
2	I	39.5	Very low	37.6	Very low	180 Å²	180	174 Å²	174	92%	0.923	87%	0.866	S	S	*	*			trans	-106	59.8	-170.8	-49.7	175	0	0	0	111
3	S	35.6	Very low	37.6	Very low	113 Å²	113	169.1 Å²	169.1	79%	0.79	86%	0.859	S	S	*	*			trans	-144.8	18.1	175.1	85.7	0	0	0	0	116.1	M1	M1-S3 PolarHBondContact O-N 3.47Å
4	A	41.1	Very low	37.4	Very low	88 Å²	88	163.6 Å²	163.6	73%	0.727	84%	0.844	S	S	*	*			trans	-106.5	55.1	-178.1	0	0	0	0	0	112.8
5	F	40.3	Very low	37.2	Very low	211 Å²	211	157.6 Å²	157.6	93%	0.925	83%	0.828	S	S	*	*			trans	-120.1	62.8	162.2	-81.4	-81.7	0	0	0	109.2
6	K	39.6	Very low	37	Very low	198 Å²	198	156.8 Å²	156.8	86%	0.861	82%	0.823	S	S	*	*			trans	-89.2	110.4	168.7	-86.5	-176.9	177.1	176.3	0	109.3
7	K	37.6	Very low	36.6	Very low	199 Å²	199	153.3 Å²	153.3	87%	0.865	82%	0.815	S	S	*	*			trans	52.4	84	150.4	-65.5	-178.6	175.9	-179.6	0	116.3
8	L	33.9	Very low	36.3	Very low	165 Å²	165	150.3 Å²	150.3	86%	0.864	81%	0.808	S	S	*	*			trans	-65.7	134.7	152.4	-82.3	159.1	0	0	0	109.3
9	P	36.7	Very low	36.2	Very low	110 Å²	110	147.8 Å²	147.8	71%	0.714	80%	0.799	S	S	*	*			trans	-63.9	137.4	-179.3	11.8	-13.1	0	0	0	111.4	I11	P9-I11 PolarHBondContact O-N 3.21Å
10	K	37.5	Very low	35.9	Very low	206 Å²	206	152.1 Å²	152.1	90%	0.896	80%	0.803	S	S	*	*			trans	-60.1	104.6	172	-75.4	-178.6	175.1	-178.7	0	108.9	R12	K10-R12 PolarHBondContact O-N 2.99Å
11	I	36.3	Very low	35.8	Very low	165 Å²	165	156.1 Å²	156.1	85%	0.846	81%	0.807	S	S	*	*			trans	-61.2	120.1	171.3	-62.4	174.6	0	0	0	107.4	P9 S13	P9-I11 PolarHBondContact O-N 3.21Å; I11-S13 PolarHBondContact O-N 2.94Å
12	R	35.4	Very low	35.8	Very low	214 Å²	214	149 Å²	149	81%	0.808	78%	0.781	S	S	*	*			trans	-59.8	130	179.8	-80.9	178.4	168.6	178.2	-3.7	109.8	K10 S14	K10-R12 PolarHBondContact O-N 2.99Å; R12-S14 PolarHBondContact O-N 3.44Å
13	S	37.4	Very low	35.6	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-70.4	15.8	-174.6	65	0	0	0	0	115.5	I11	I11-S13 PolarHBondContact O-N 2.94Å
14	S	35.4	Very low	35.6	Very low	93 Å²	93	145.5 Å²	145.5	65%	0.65	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-87.6	-7.3	-177.9	58.2	0	0	0	0	114.1	R12	R12-S14 PolarHBondContact O-N 3.44Å
15	A	34.4	Very low	35.7	Very low	73 Å²	73	144.3 Å²	144.3	60%	0.603	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-88.9	-7.6	179	0	0	0	0	0	114.4
16	L	32.7	Very low	35.7	Very low	144 Å²	144	139 Å²	139	75%	0.754	73%	0.733	S	S	*	*	S	Bend	trans	-92.8	-4.6	-175.6	-76.5	163.4	0	0	0	114.4
17	S	31.7	Very low	35.7	Very low	98 Å²	98	133.8 Å²	133.8	69%	0.685	72%	0.722	S	S	*	*	S	Bend	trans	-89.1	-14.1	-178	59.7	0	0	0	0	114.7
18	S	30.8	Very low	35.9	Very low	99 Å²	99	131.5 Å²	131.5	69%	0.692	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-86	-11.4	-179.1	59.6	0	0	0	0	114.7	R20	S18-R20 VanDerWaalsContact C-N 3.34Å; S18-R20 PolarHBondContact O-N 2.76Å
19	V	34.1	Very low	36.4	Very low	104 Å²	104	125.7 Å²	125.7	63%	0.63	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-82.4	-8.8	-176.1	-175.4	0	0	0	0	113.1	R21	V19-R21 PolarHBondContact O-N 2.72Å
20	R	31	Very low	36.5	Very low	233 Å²	233	128.1 Å²	128.1	88%	0.879	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-82.8	1.7	-174.7	-81.2	-171.2	176.4	-170.8	-0.7	116.4	S18	S18-R20 VanDerWaalsContact C-N 3.34Å; S18-R20 PolarHBondContact O-N 2.76Å
21	R	33.6	Very low	36.9	Very low	237 Å²	237	119.4 Å²	119.4	89%	0.894	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-108.2	4.7	-171.9	-77.3	-168.7	178.7	-172.3	0.5	117.9	V19	V19-R21 PolarHBondContact O-N 2.72Å
22	S	37.2	Very low	37.6	Very low	90 Å²	90	118.1 Å²	118.1	63%	0.629	65%	0.647	S	S	*	*	S	Bend	trans	-116.4	2.5	-179.6	65.8	0	0	0	0	117.1	T24	S22-T24 PolarHBondContact O-N 2.78Å; S22-T24 VanDerWaalsContact O-N 3.13Å
23	C	34.4	Very low	38.7	Very low	92 Å²	92	109.9 Å²	109.9	62%	0.622	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-77	8.9	-179.5	-74	0	0	0	0	115.1	S25 L26	C23-S25 PolarHBondContact O-N 3.08Å; C23-L26 HydrophobicContact CB-CD1 4.44Å
24	T	37.1	Very low	40.9	Very low	127 Å²	127	109.3 Å²	109.3	78%	0.779	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-72.8	-5.4	-179.7	47.6	0	0	0	0	114.2	S22	S22-T24 PolarHBondContact O-N 2.78Å; S22-T24 VanDerWaalsContact O-N 3.13Å
25	S	43.2	Very low	43.6	Very low	63 Å²	63	105.5 Å²	105.5	44%	0.441	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-92.1	-0.4	178.8	72.1	0	0	0	0	115.1	C23 S27 Y28	C23-S25 PolarHBondContact O-N 3.08Å; S25-S27 PolarHBondContact O-N 3.3Å; S25-Y28 WeakPolarHBondContact O-CD2 3.46Å; S25-Y28 PolarHBondContact O-N 3.36Å
26	L	39.3	Very low	46.5	Very low	98 Å²	98	104.9 Å²	104.9	51%	0.513	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-69.2	-14.2	179.4	-97.1	139.8	0	0	0	113.7	C23 Y28 L29	C23-L26 HydrophobicContact CB-CD1 4.44Å; L26-Y28 PolarHBondContact O-N 2.82Å; L26-Y28 VanDerWaalsContact O-N 3.16Å; L26-L29 HydrophobicContact CD2-CD1 3.8Å; L26-L29 HydrophobicContact CG-CD1 4.41Å; L26-L29 PolarHBondContact O-N 2.99Å
27	S	40.4	Very low	49.5	Very low	90 Å²	90	102 Å²	102	63%	0.629	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-60.2	-23.4	175.5	56.1	0	0	0	0	113.3	S25 L29	S25-S27 PolarHBondContact O-N 3.3Å; S27-L29 VanDerWaalsContact C-N 3.28Å; S27-L29 PolarHBondContact O-N 3.41Å
28	Y	41.5	Very low	52.6	Low	151 Å²	151	102.9 Å²	102.9	59%	0.592	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-72.5	-18	176	-69.4	-76.5	0	0	0	113.7	S25 L26	S25-Y28 WeakPolarHBondContact O-CD2 3.46Å; S25-Y28 PolarHBondContact O-N 3.36Å; L26-Y28 PolarHBondContact O-N 2.82Å; L26-Y28 VanDerWaalsContact O-N 3.16Å
29	L	44.1	Very low	55.7	Low	42 Å²	42	99.6 Å²	99.6	22%	0.22	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-90.6	-6.7	-173.3	-69.3	167.5	0	0	0	114.5	L26 S27 A31 R276 F318	L26-L29 HydrophobicContact CD2-CD1 3.8Å; L26-L29 HydrophobicContact CG-CD1 4.41Å; L26-L29 PolarHBondContact O-N 2.99Å; S27-L29 VanDerWaalsContact C-N 3.28Å; S27-L29 PolarHBondContact O-N 3.41Å; L29-A31 PolarHBondContact O-N 2.99Å; L29-A31 VanDerWaalsContact O-N 3.09Å; L29-R276 WeakPolarHBondContact CD1-O 3.36Å; L29-R276 VanDerWaalsContact CD2-O 3.32Å; L29-R276 WeakPolarHBondContact CD2-O 3.28Å; L29-F318 HydrophobicContact CD2-CE2 3.9Å; L29-F318 HydrophobicContact CD2-CZ 4.49Å
30	N	39.7	Very low	58.8	Low	161 Å²	161	94.8 Å²	94.8	86%	0.861	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-71.7	3.2	173.3	-95.1	-2.2	0	0	0	113.9	N32	N30-N32 VanDerWaalsContact C-N 3.33Å; N30-N32 PolarHBondContact O-N 2.94Å
31	A	45.6	Very low	61.9	Low	23 Å²	23	86.1 Å²	86.1	19%	0.19	48%	0.481	C	S	.	.			trans	-92.3	62.2	173.7	0	0	0	0	0	111.2	L29 S33	L29-A31 PolarHBondContact O-N 2.99Å; L29-A31 VanDerWaalsContact O-N 3.09Å; A31-S33 PolarHBondContact O-N 3.14Å
32	N	50.8	Low	65	Low	138 Å²	138	78.2 Å²	78.2	74%	0.738	46%	0.456	S	S	*	.			trans	-69.2	52.9	149	-85.4	-7.8	0	0	0	108.7	N30 S34	N30-N32 VanDerWaalsContact C-N 3.33Å; N30-N32 PolarHBondContact O-N 2.94Å; N32-S34 PolarHBondContact O-N 2.92Å
33	S	59.1	Low	67.9	Low	41 Å²	41	74.4 Å²	74.4	29%	0.287	43%	0.428	S	S	.	.			trans	-70.5	105.3	164.8	56.2	0	0	0	0	105.2	A31 Y233	A31-S33 PolarHBondContact O-N 3.14Å; S33-Y233 WeakPolarHBondContact O-CE2 3.36Å; S33-Y233 PolarHBondContact O-OH 3.31Å
34	S	83.1	Confident	70.9	Confident	99 Å²	99	70.8 Å²	70.8	69%	0.692	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-55.1	153.1	159.8	52.4	0	0	0	0	108.9	N32	N32-S34 PolarHBondContact O-N 2.92Å
35	V	92.3	Very high	73.8	Confident	13 Å²	13	70 Å²	70	8%	0.079	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-57.6	131.4	171.7	-172.4	0	0	0	0	107.6	L37 E39 L40 Y233	V35-L37 PolarHBondContact O-N 3.27Å; V35-E39 HydrophobicContact CG1-CB 4.01Å; V35-E39 HydrophobicContact CG1-CG 4.04Å; V35-L40 HydrophobicContact CB-CD1 4.41Å; V35-L40 HydrophobicContact CB-CD2 3.96Å; V35-L40 HydrophobicContact CB-CG 4Å; V35-L40 HydrophobicContact CG1-CD2 3.74Å; V35-L40 HydrophobicContact CG1-CG 3.78Å; V35-L40 HydrophobicContact CG2-CD2 4.35Å; V35-Y233 HydrophobicContact CB-CE1 4.34Å; V35-Y233 HydrophobicContact CG2-CD1 4.14Å; V35-Y233 HydrophobicContact CG2-CE1 3.48Å; V35-Y233 VanDerWaalsContact CG2-CE1 3.48Å; V35-Y233 HydrophobicContact CG2-CE2 4.42Å
36	P	94.2	Very high	76.4	Confident	59 Å²	59	71.2 Å²	71.2	38%	0.383	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-56.7	137	174.7	-25.1	34.7	0	0	0	111.1	I38 E39 L40	P36-I38 HydrophobicContact CB-CG2 4.04Å; P36-I38 PolarHBondContact O-N 3.32Å; P36-E39 HydrophobicContact CB-CB 4.27Å; P36-E39 WeakPolarHBondContact O-CA 3.15Å; P36-E39 WeakPolarHBondContact O-CB 3.43Å; P36-E39 PolarHBondContact O-N 3.15Å; P36-L40 PolarHBondContact O-N 3.44Å; P36-L40 VanDerWaalsContact O-N 3.11Å
37	L	95.6	Very high	79.2	Confident	85 Å²	85	66.5 Å²	66.5	45%	0.445	37%	0.365	S	S	.	.	H	α-helix	trans	-57.1	-36.9	-179.1	-67.5	-179.4	0	0	0	112.6	V35 E39 L40 S41 A151	V35-L37 PolarHBondContact O-N 3.27Å; L37-E39 VanDerWaalsContact C-N 3.27Å; L37-E39 PolarHBondContact O-N 2.86Å; L37-L40 HydrophobicContact CD2-CD1 4.34Å; L37-L40 PolarHBondContact O-N 2.77Å; L37-S41 PolarHBondContact O-N 2.9Å; L37-A151 VanDerWaalsContact CD2-O 3.24Å; L37-A151 WeakPolarHBondContact CD2-O 3.36Å
38	I	96.8	Very high	81.9	Confident	115 Å²	115	62.9 Å²	62.9	59%	0.59	34%	0.339	S	S	*	.	H	α-helix	trans	-61.4	-36	175	-171.9	59.4	0	0	0	112	P36 S41 N42	P36-I38 HydrophobicContact CB-CG2 4.04Å; P36-I38 PolarHBondContact O-N 3.32Å; I38-S41 PolarHBondContact O-N 3.04Å; I38-N42 WeakPolarHBondContact O-CB 3.25Å; I38-N42 PolarHBondContact O-N 2.98Å; I38-N42 PolarHBondContact O-ND2 2.87Å; I38-N42 PolarHBondContact O-OD1 3.01Å
39	E	97.1	Very high	84.5	Confident	31 Å²	31	59.5 Å²	59.5	15%	0.145	33%	0.331	C	S	.	.	H	α-helix	trans	-71.3	-42.3	177.1	-177	174.5	157.8	0	0	111	V35 P36 L37 S41 N42 R43 S231 Y233	V35-E39 HydrophobicContact CG1-CB 4.01Å; V35-E39 HydrophobicContact CG1-CG 4.04Å; P36-E39 HydrophobicContact CB-CB 4.27Å; P36-E39 WeakPolarHBondContact O-CA 3.15Å; P36-E39 WeakPolarHBondContact O-CB 3.43Å; P36-E39 PolarHBondContact O-N 3.15Å; L37-E39 VanDerWaalsContact C-N 3.27Å; L37-E39 PolarHBondContact O-N 2.86Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 3.5Å; E39-N42 PolarHBondContact O-N 3.21Å; E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 3.09Å; E39-R43 IonicContact OE1-CZ 3.16Å; E39-R43 IonicContact OE1-NE 3.72Å; E39-R43 PolarHBondContact OE1-NE 3.02Å; E39-R43 IonicContact OE1-NH2 2.92Å; E39-R43 PolarHBondContact OE1-NH2 3.26Å; E39-S231 VanDerWaalsContact CD-OG 3.29Å; E39-S231 VanDerWaalsContact OE1-CB 3.28Å; E39-S231 WeakPolarHBondContact OE1-CB 3.36Å; E39-S231 PolarHBondContact OE1-OG 2.87Å; E39-S231 PolarHBondContact OE2-OG 3.17Å; E39-Y233 WeakPolarHBondContact OE2-CB 3.42Å
40	L	97.8	Very high	86.9	Confident	3 Å²	3	61 Å²	61	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-59	-42.8	173	-67.7	177.1	0	0	0	111.6	V35 P36 L37 R43 R44 T95	V35-L40 HydrophobicContact CB-CD1 4.41Å; V35-L40 HydrophobicContact CB-CD2 3.96Å; V35-L40 HydrophobicContact CB-CG 4Å; V35-L40 HydrophobicContact CG1-CD2 3.74Å; V35-L40 HydrophobicContact CG1-CG 3.78Å; V35-L40 HydrophobicContact CG2-CD2 4.35Å; P36-L40 PolarHBondContact O-N 3.44Å; P36-L40 VanDerWaalsContact O-N 3.11Å; L37-L40 HydrophobicContact CD2-CD1 4.34Å; L37-L40 PolarHBondContact O-N 2.77Å; L40-R43 PolarHBondContact O-N 3.02Å; L40-R44 WeakPolarHBondContact O-CG 3.36Å; L40-R44 PolarHBondContact O-N 2.98Å; L40-T95 WeakPolarHBondContact CD1-O 3.44Å
41	S	97.9	Very high	89.6	Confident	50 Å²	50	53.3 Å²	53.3	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-59.8	-50.7	175.1	-168.5	0	0	0	0	111.7	L37 I38 E39 R43 R44 E45	L37-S41 PolarHBondContact O-N 2.9Å; I38-S41 PolarHBondContact O-N 3.04Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 3.5Å; S41-R43 VanDerWaalsContact C-N 3.32Å; S41-R43 PolarHBondContact O-N 2.82Å; S41-R44 PolarHBondContact O-N 2.91Å; S41-R44 VanDerWaalsContact O-N 3.13Å; S41-E45 PolarHBondContact O-N 3.42Å
42	N	98	Very high	91.8	Very high	71 Å²	71	52.8 Å²	52.8	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-39.6	-180	-68.3	-6.6	0	0	0	112.2	I38 E39 R44 E45 I46	I38-N42 WeakPolarHBondContact O-CB 3.25Å; I38-N42 PolarHBondContact O-N 2.98Å; I38-N42 PolarHBondContact O-ND2 2.87Å; I38-N42 PolarHBondContact O-OD1 3.01Å; E39-N42 PolarHBondContact O-N 3.21Å; N42-R44 VanDerWaalsContact C-N 3.33Å; N42-R44 PolarHBondContact O-N 3.26Å; N42-E45 PolarHBondContact O-N 3.22Å; N42-I46 WeakPolarHBondContact O-CB 3.42Å; N42-I46 VanDerWaalsContact O-CG1 3.24Å; N42-I46 WeakPolarHBondContact O-CG1 3.41Å; N42-I46 PolarHBondContact O-N 3.1Å
43	R	98.1	Very high	93.8	Very high	11 Å²	11	50.6 Å²	50.6	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-47.4	175.4	-71	170.5	-175.4	-167.2	-1.6	110.8	E39 L40 S41 F47 Y93 F94 E234 Y321	E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 3.09Å; E39-R43 IonicContact OE1-CZ 3.16Å; E39-R43 IonicContact OE1-NE 3.72Å; E39-R43 PolarHBondContact OE1-NE 3.02Å; E39-R43 IonicContact OE1-NH2 2.92Å; E39-R43 PolarHBondContact OE1-NH2 3.26Å; L40-R43 PolarHBondContact O-N 3.02Å; S41-R43 VanDerWaalsContact C-N 3.32Å; S41-R43 PolarHBondContact O-N 2.82Å; R43-F47 WeakPolarHBondContact O-CB 3.48Å; R43-F47 PolarHBondContact O-N 3.23Å; R43-F47 VanDerWaalsContact O-N 3.09Å; R43-Y93 HydrophobicContact CB-CE1 3.96Å; R43-Y93 VanDerWaalsContact CD-O 3.26Å; R43-Y93 WeakPolarHBondContact CD-O 3.28Å; R43-Y93 HydrophobicContact CG-CE1 3.84Å; R43-Y93 HydrophobicContact CG-CE2 4.37Å; R43-Y93 PolarHBondContact NH1-O 3.32Å; R43-F94 HydrophobicContact CB-CD1 3.96Å; R43-F94 HydrophobicContact CB-CE1 4.17Å; R43-F94 WeakPolarHBondContact O-CE1 3.46Å; R43-E234 IonicContact NH2-OE1 3.47Å; R43-Y321 PolarHBondContact NH2-OH 2.95Å
44	R	98.1	Very high	95.4	Very high	15 Å²	15	49.8 Å²	49.8	6%	0.057	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-42.9	179	-67.6	-170.1	-64	-98.8	7.1	112.1	L40 S41 N42 F47 V48 F94 F106 T152 G153	L40-R44 WeakPolarHBondContact O-CG 3.36Å; L40-R44 PolarHBondContact O-N 2.98Å; S41-R44 PolarHBondContact O-N 2.91Å; S41-R44 VanDerWaalsContact O-N 3.13Å; N42-R44 VanDerWaalsContact C-N 3.33Å; N42-R44 PolarHBondContact O-N 3.26Å; R44-F47 WeakPolarHBondContact O-CB 3.41Å; R44-F47 PolarHBondContact O-N 3.37Å; R44-V48 WeakPolarHBondContact O-CB 3.4Å; R44-V48 WeakPolarHBondContact O-CG2 3.42Å; R44-V48 PolarHBondContact O-N 3.28Å; R44-F94 HydrophobicContact CG-CB 4.14Å; R44-F94 HydrophobicContact CG-CD1 3.84Å; R44-F94 HydrophobicContact CG-CG 4.35Å; R44-F94 PolarHBondContact NH1-O 3.49Å; R44-F106 HydrophobicContact CB-CE1 3.91Å; R44-F106 HydrophobicContact CB-CZ 4.04Å; R44-F106 HydrophobicContact CG-CE1 4.08Å; R44-F106 HydrophobicContact CG-CZ 3.83Å; R44-T152 PolarHBondContact NH1-O 2.87Å; R44-T152 PolarHBondContact NH2-O 2.99Å; R44-G153 PolarHBondContact NH2-O 3.45Å
45	E	97.3	Very high	95.7	Very high	111 Å²	111	45 Å²	45	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-49.3	178.5	-172.8	-175.3	166.1	0	0	112.1	S41 N42 F47 V48 N49	S41-E45 PolarHBondContact O-N 3.42Å; N42-E45 PolarHBondContact O-N 3.22Å; E45-F47 VanDerWaalsContact C-N 3.26Å; E45-F47 PolarHBondContact O-N 3.27Å; E45-V48 PolarHBondContact O-N 3.19Å; E45-N49 WeakPolarHBondContact O-CB 3.49Å; E45-N49 VanDerWaalsContact O-CG 3.27Å; E45-N49 PolarHBondContact O-N 3Å; E45-N49 PolarHBondContact O-ND2 3.1Å
46	I	97.8	Very high	95.5	Very high	88 Å²	88	47.7 Å²	47.7	45%	0.451	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-41.3	177.4	-65	166.6	0	0	0	110.4	N42 N49 K50 I226	N42-I46 WeakPolarHBondContact O-CB 3.42Å; N42-I46 VanDerWaalsContact O-CG1 3.24Å; N42-I46 WeakPolarHBondContact O-CG1 3.41Å; N42-I46 PolarHBondContact O-N 3.1Å; I46-N49 PolarHBondContact O-N 2.77Å; I46-K50 WeakPolarHBondContact O-CG 3.34Å; I46-K50 PolarHBondContact O-N 3.27Å; I46-K50 VanDerWaalsContact O-N 3.08Å; I46-I226 HydrophobicContact CG2-CG2 3.61Å
47	F	98.1	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-51.7	177	174.5	-116.6	0	0	0	112	R43 R44 E45 N49 K50 V51 V67 I69 F94 F106 P219 L222 I223 I226	R43-F47 WeakPolarHBondContact O-CB 3.48Å; R43-F47 PolarHBondContact O-N 3.23Å; R43-F47 VanDerWaalsContact O-N 3.09Å; R44-F47 WeakPolarHBondContact O-CB 3.41Å; R44-F47 PolarHBondContact O-N 3.37Å; E45-F47 VanDerWaalsContact C-N 3.26Å; E45-F47 PolarHBondContact O-N 3.27Å; F47-N49 VanDerWaalsContact C-N 3.29Å; F47-N49 PolarHBondContact O-N 3.43Å; F47-K50 WeakPolarHBondContact O-CB 3.15Å; F47-K50 PolarHBondContact O-N 3.33Å; F47-K50 VanDerWaalsContact O-N 3.1Å; F47-V51 HydrophobicContact CD2-CG2 4.26Å; F47-V51 HydrophobicContact CE1-CG2 4.12Å; F47-V51 HydrophobicContact CE2-CG2 3.78Å; F47-V51 HydrophobicContact CZ-CG2 3.71Å; F47-V51 WeakPolarHBondContact O-CG2 3.43Å; F47-V51 PolarHBondContact O-N 3.31Å; F47-V67 HydrophobicContact CE1-CG1 3.75Å; F47-V67 HydrophobicContact CZ-CG1 3.74Å; F47-I69 HydrophobicContact CE1-CD1 3.98Å; F47-I69 HydrophobicContact CZ-CD1 4.27Å; F47-F94 HydrophobicContact CB-CE1 3.68Å; F47-F94 HydrophobicContact CB-CZ 3.73Å; F47-F94 HydrophobicContact CD1-CE1 4.35Å; F47-F94 HydrophobicContact CD1-CE2 4.47Å; F47-F94 AromaticContact CD1-CZ 3.94Å; F47-F94 HydrophobicContact CD1-CZ 3.94Å; F47-F94 AromaticContact CD2-CZ 3.99Å; F47-F94 HydrophobicContact CD2-CZ 3.99Å; F47-F94 HydrophobicContact CG-CE1 4.03Å; F47-F94 HydrophobicContact CG-CE2 4.46Å; F47-F94 AromaticContact CG-CZ 3.6Å; F47-F94 HydrophobicContact CG-CZ 3.6Å; F47-F106 HydrophobicContact CD1-CD2 4.25Å; F47-F106 AromaticContact CD1-CE2 3.85Å; F47-F106 HydrophobicContact CD1-CE2 3.85Å; F47-F106 HydrophobicContact CD1-CZ 4.19Å; F47-F106 AromaticContact CE1-CD2 3.9Å; F47-F106 HydrophobicContact CE1-CD2 3.9Å; F47-F106 AromaticContact CE1-CE2 3.79Å; F47-F106 HydrophobicContact CE1-CE2 3.79Å; F47-P219 HydrophobicContact CE2-CB 4.3Å; F47-P219 HydrophobicContact CZ-CB 3.98Å; F47-L222 HydrophobicContact CD2-CB 4.34Å; F47-L222 HydrophobicContact CE2-CB 4.05Å; F47-I223 HydrophobicContact CD2-CG1 3.85Å; F47-I223 HydrophobicContact CE2-CD1 4.16Å; F47-I223 HydrophobicContact CE2-CG1 3.4Å; F47-I223 VanDerWaalsContact CE2-CG1 3.4Å; F47-I223 HydrophobicContact CZ-CD1 4.28Å; F47-I223 HydrophobicContact CZ-CG1 4Å; F47-I226 HydrophobicContact CB-CD1 3.9Å; F47-I226 HydrophobicContact CD2-CD1 4.46Å
48	V	96.5	Very high	95	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.085	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-41.6	178.2	164.4	0	0	0	0	111.4	R44 E45 K50 V51 N52 F106 W122	R44-V48 WeakPolarHBondContact O-CB 3.4Å; R44-V48 WeakPolarHBondContact O-CG2 3.42Å; R44-V48 PolarHBondContact O-N 3.28Å; E45-V48 PolarHBondContact O-N 3.19Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.37Å; V48-V51 PolarHBondContact O-N 2.98Å; V48-N52 WeakPolarHBondContact O-CB 3.27Å; V48-N52 PolarHBondContact O-N 3.19Å; V48-F106 HydrophobicContact CG2-CB 4.4Å; V48-F106 HydrophobicContact CG2-CD1 3.5Å; V48-F106 HydrophobicContact CG2-CE1 3.88Å; V48-F106 HydrophobicContact CG2-CG 4.01Å; V48-W122 HydrophobicContact CG1-CB 3.7Å; V48-W122 HydrophobicContact CG1-CD2 3.62Å; V48-W122 HydrophobicContact CG1-CE3 4.42Å; V48-W122 HydrophobicContact CG1-CG 3.26Å
49	N	95.8	Very high	94.5	Very high	80 Å²	80	50.4 Å²	50.4	43%	0.428	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-40.8	176.1	-73.9	-22.5	0	0	0	112.1	E45 I46 F47 N52 I53	E45-N49 WeakPolarHBondContact O-CB 3.49Å; E45-N49 VanDerWaalsContact O-CG 3.27Å; E45-N49 PolarHBondContact O-N 3Å; E45-N49 PolarHBondContact O-ND2 3.1Å; I46-N49 PolarHBondContact O-N 2.77Å; F47-N49 VanDerWaalsContact C-N 3.29Å; F47-N49 PolarHBondContact O-N 3.43Å; N49-N52 PolarHBondContact O-N 3.26Å; N49-I53 WeakPolarHBondContact O-CG1 3.46Å; N49-I53 PolarHBondContact O-N 3.12Å
50	K	96.2	Very high	93.8	Very high	73 Å²	73	53.3 Å²	53.3	32%	0.317	28%	0.277	S	S	.	.	H	α-helix	trans	-65	-42.2	174	-76.6	178.5	176.7	-76.4	0	112.3	I46 F47 V48 N52 I53 C54 L222 S225 I226	I46-K50 WeakPolarHBondContact O-CG 3.34Å; I46-K50 PolarHBondContact O-N 3.27Å; I46-K50 VanDerWaalsContact O-N 3.08Å; F47-K50 WeakPolarHBondContact O-CB 3.15Å; F47-K50 PolarHBondContact O-N 3.33Å; F47-K50 VanDerWaalsContact O-N 3.1Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.37Å; K50-N52 VanDerWaalsContact C-N 3.33Å; K50-N52 PolarHBondContact O-N 2.97Å; K50-I53 PolarHBondContact O-N 2.58Å; K50-C54 PolarHBondContact O-N 3.35Å; K50-C54 VanDerWaalsContact O-N 3.07Å; K50-L222 HydrophobicContact CB-CD2 4.25Å; K50-S225 WeakPolarHBondContact CD-OG 3.35Å; K50-S225 VanDerWaalsContact CE-OG 3.29Å; K50-S225 WeakPolarHBondContact CE-OG 3.35Å; K50-S225 PolarHBondContact NZ-OG 3.31Å; K50-I226 HydrophobicContact CD-CG2 3.55Å
51	V	95.1	Very high	93.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-43	175.2	177.3	0	0	0	0	110.6	F47 V48 I53 C54 A55 V67 W122 W180 L222	F47-V51 HydrophobicContact CD2-CG2 4.26Å; F47-V51 HydrophobicContact CE1-CG2 4.12Å; F47-V51 HydrophobicContact CE2-CG2 3.78Å; F47-V51 HydrophobicContact CZ-CG2 3.71Å; F47-V51 WeakPolarHBondContact O-CG2 3.43Å; F47-V51 PolarHBondContact O-N 3.31Å; V48-V51 PolarHBondContact O-N 2.98Å; V51-I53 PolarHBondContact O-N 2.72Å; V51-C54 PolarHBondContact O-N 2.96Å; V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.4Å; V51-A55 PolarHBondContact O-N 3.03Å; V51-V67 HydrophobicContact CG1-CG2 4.03Å; V51-V67 HydrophobicContact CG2-CG2 4.39Å; V51-W122 HydrophobicContact CB-CH2 4.31Å; V51-W122 HydrophobicContact CB-CZ2 4.32Å; V51-W122 HydrophobicContact CG1-CH2 3.45Å; V51-W122 VanDerWaalsContact CG1-CH2 3.45Å; V51-W122 HydrophobicContact CG1-CZ2 3.73Å; V51-W122 HydrophobicContact CG1-CZ3 4.46Å; V51-W180 HydrophobicContact CG1-CD2 4.25Å; V51-W180 HydrophobicContact CG1-CH2 4.47Å; V51-W180 HydrophobicContact CG1-CZ2 3.73Å; V51-L222 HydrophobicContact CB-CD1 4.48Å; V51-L222 HydrophobicContact CG2-CD1 3.78Å
52	N	92.5	Very high	92.7	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.059	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-43.8	176.7	-174.1	42.9	0	0	0	112.1	V48 N49 K50 A55 K56 D119	V48-N52 WeakPolarHBondContact O-CB 3.27Å; V48-N52 PolarHBondContact O-N 3.19Å; N49-N52 PolarHBondContact O-N 3.26Å; K50-N52 VanDerWaalsContact C-N 3.33Å; K50-N52 PolarHBondContact O-N 2.97Å; N52-A55 PolarHBondContact O-N 2.95Å; N52-K56 WeakPolarHBondContact O-CG 3.5Å; N52-K56 PolarHBondContact O-N 2.6Å; N52-D119 PolarHBondContact ND2-OD1 3.28Å
53	I	92.9	Very high	92.2	Very high	93 Å²	93	52.1 Å²	52.1	48%	0.477	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-47.6	175.7	-68.2	164.1	0	0	0	110.8	N49 K50 V51 K56 Q57	N49-I53 WeakPolarHBondContact O-CG1 3.46Å; N49-I53 PolarHBondContact O-N 3.12Å; K50-I53 PolarHBondContact O-N 2.58Å; V51-I53 PolarHBondContact O-N 2.72Å; I53-K56 PolarHBondContact O-N 2.94Å; I53-Q57 WeakPolarHBondContact O-CG 2.81Å; I53-Q57 PolarHBondContact O-N 3.15Å
54	C	92.4	Very high	91.9	Very high	23 Å²	23	51.8 Å²	51.8	16%	0.155	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-40.1	178.3	-69.1	0	0	0	0	112.1	K50 V51 K56 Q57 M58 W180 Y221	K50-C54 PolarHBondContact O-N 3.35Å; K50-C54 VanDerWaalsContact O-N 3.07Å; V51-C54 PolarHBondContact O-N 2.96Å; C54-K56 VanDerWaalsContact C-N 3.28Å; C54-K56 PolarHBondContact O-N 3.06Å; C54-Q57 PolarHBondContact O-N 2.82Å; C54-M58 WeakPolarHBondContact O-CG 3.48Å; C54-M58 PolarHBondContact O-N 2.84Å; C54-W180 HydrophobicContact CB-CH2 3.71Å; C54-W180 HydrophobicContact CB-CZ2 4.41Å; C54-Y221 PolarHBondContact SG-OH 3.2Å
55	A	89.9	Confident	91.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.8	-39.6	174.9	0	0	0	0	0	112	V51 N52 Q57 M58 R114 L120	V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.4Å; V51-A55 PolarHBondContact O-N 3.03Å; N52-A55 PolarHBondContact O-N 2.95Å; A55-Q57 PolarHBondContact O-N 3.32Å; A55-M58 PolarHBondContact O-N 2.91Å; A55-R114 PolarHBondContact O-NH2 2.97Å; A55-L120 HydrophobicContact CB-CD1 4.3Å
56	K	87.5	Confident	91.7	Very high	68 Å²	68	45.8 Å²	45.8	30%	0.296	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-21.7	173.3	-69.8	177.7	-176.2	-171.4	0	114.7	N52 I53 C54 R114 D119	N52-K56 WeakPolarHBondContact O-CG 3.5Å; N52-K56 PolarHBondContact O-N 2.6Å; I53-K56 PolarHBondContact O-N 2.94Å; C54-K56 VanDerWaalsContact C-N 3.28Å; C54-K56 PolarHBondContact O-N 3.06Å; K56-R114 VanDerWaalsContact CG-NH2 3.3Å; K56-D119 IonicContact NZ-OD1 3.5Å; K56-D119 PolarHBondContact NZ-OD1 3.43Å
57	Q	89.6	Confident	91.7	Very high	145 Å²	145	41.7 Å²	41.7	68%	0.678	21%	0.214	S	C	*	.	H	α-helix	trans	-98	-4.5	179.7	-64.1	171.6	-7.7	0	0	113.1	I53 C54 A55 V59	I53-Q57 WeakPolarHBondContact O-CG 2.81Å; I53-Q57 PolarHBondContact O-N 3.15Å; C54-Q57 PolarHBondContact O-N 2.82Å; A55-Q57 PolarHBondContact O-N 3.32Å; Q57-V59 PolarHBondContact O-N 2.98Å
58	M	89.4	Confident	91.7	Very high	22 Å²	22	41.8 Å²	41.8	11%	0.108	22%	0.215	C	C	.	.			trans	-67.9	131.9	179.3	-71.2	-175.3	174.7	0	0	111.8	C54 A55 N60 K61 P62 W180 E217	C54-M58 WeakPolarHBondContact O-CG 3.48Å; C54-M58 PolarHBondContact O-N 2.84Å; A55-M58 PolarHBondContact O-N 2.91Å; M58-N60 VanDerWaalsContact C-N 3.34Å; M58-N60 PolarHBondContact O-N 3.24Å; M58-K61 WeakPolarHBondContact O-CG 3.27Å; M58-K61 PolarHBondContact O-N 2.85Å; M58-P62 HydrophobicContact SD-CG 4.1Å; M58-W180 HydrophobicContact CE-CH2 3.3Å; M58-W180 HydrophobicContact CE-CZ2 3.06Å; M58-W180 HydrophobicContact CE-CZ3 4.23Å; M58-W180 HydrophobicContact SD-CZ2 4.43Å; M58-E217 HydrophobicContact CE-CB 4.49Å; M58-E217 HydrophobicContact CE-CG 3.7Å
59	V	85.9	Confident	91.7	Very high	150 Å²	150	41.4 Å²	41.4	91%	0.909	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-41.2	-179.6	178.7	0	0	0	0	111.9	Q57 K61	Q57-V59 PolarHBondContact O-N 2.98Å; V59-K61 VanDerWaalsContact C-N 3.29Å; V59-K61 PolarHBondContact O-N 2.95Å
60	N	83.3	Confident	91.8	Very high	92 Å²	92	37.9 Å²	37.9	49%	0.492	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.9	-179.5	63.8	-22.4	0	0	0	113.8	M58 P62 S215	M58-N60 VanDerWaalsContact C-N 3.34Å; M58-N60 PolarHBondContact O-N 3.24Å; N60-P62 WeakPolarHBondContact OD1-CD 3.34Å; N60-S215 PolarHBondContact ND2-OG 3.29Å
61	K	84.2	Confident	91.9	Very high	85 Å²	85	34.4 Å²	34.4	37%	0.37	18%	0.179	S	C	.	.			trans	36	64	179.4	-64.2	-173.3	177.6	-172.8	0	114.1	M58 V59 D116	M58-K61 WeakPolarHBondContact O-CG 3.27Å; M58-K61 PolarHBondContact O-N 2.85Å; V59-K61 VanDerWaalsContact C-N 3.29Å; V59-K61 PolarHBondContact O-N 2.95Å; K61-D116 IonicContact NZ-OD1 2.74Å; K61-D116 PolarHBondContact NZ-OD1 2.96Å; K61-D116 IonicContact NZ-OD2 2.89Å; K61-D116 PolarHBondContact NZ-OD2 2.85Å
62	P	88.7	Confident	92	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.184	C	C	.	.			trans	-56.4	140.3	179.1	-20.6	34.3	0	0	0	111	M58 N60 H65 S176 C178	M58-P62 HydrophobicContact SD-CG 4.1Å; N60-P62 WeakPolarHBondContact OD1-CD 3.34Å; P62-H65 PolarHBondContact O-NE2 3.49Å; P62-S176 WeakPolarHBondContact CA-OG 3.36Å; P62-C178 HydrophobicContact CB-CB 3.7Å; P62-C178 HydrophobicContact CG-CB 3.56Å
63	S	87.3	Confident	92.1	Very high	12 Å²	12	35.9 Å²	35.9	8%	0.084	19%	0.187	C	C	.	.	S	Bend	trans	-86.3	-16.5	179.5	54.4	0	0	0	0	113.4	Q175 S176	S63-Q175 WeakPolarHBondContact OG-CB 3.32Å; S63-S176 PolarHBondContact N-O 3.03Å; S63-S176 VanDerWaalsContact N-O 3.14Å; S63-S176 PolarHBondContact N-OG 2.83Å
64	Y	91.5	Very high	92.1	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.6	177.7	-169.9	-117.4	0	0	0	111	I66 C107 T108 K110 Q170 S176 I177 C178	Y64-I66 HydrophobicContact CD1-CD1 4.18Å; Y64-I66 HydrophobicContact CD1-CG1 3.9Å; Y64-I66 HydrophobicContact CE1-CD1 3.61Å; Y64-I66 HydrophobicContact CE1-CG1 3.43Å; Y64-I66 VanDerWaalsContact CE1-CG1 3.43Å; Y64-C107 HydrophobicContact CE2-CB 4.44Å; Y64-C107 WeakPolarHBondContact OH-CB 3.33Å; Y64-T108 WeakPolarHBondContact CE2-O 3.45Å; Y64-K110 HydrophobicContact CD2-CG 3.93Å; Y64-K110 HydrophobicContact CE2-CG 3.8Å; Y64-Q170 HydrophobicContact CE1-CB 3.99Å; Y64-Q170 HydrophobicContact CE1-CG 4.01Å; Y64-Q170 VanDerWaalsContact OH-CD 3.23Å; Y64-Q170 PolarHBondContact OH-OE1 3.43Å; Y64-S176 PolarHBondContact N-O 2.83Å; Y64-I177 HydrophobicContact CD1-CD1 4.46Å; Y64-I177 HydrophobicContact CD1-CG1 4.06Å; Y64-I177 HydrophobicContact CD1-CG2 4.06Å; Y64-I177 CarbonylContact O-C 3.37Å; Y64-I177 VanDerWaalsContact O-CA 3.3Å; Y64-I177 WeakPolarHBondContact O-CA 2.96Å; Y64-C178 PolarHBondContact O-N 3.02Å
65	H	94.3	Very high	92.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.7	177.3	-65.7	-92.2	0	0	0	110.9	P62 C107 T108 W122 C178 W180	P62-H65 PolarHBondContact O-NE2 3.49Å; H65-C107 VanDerWaalsContact O-CA 3.23Å; H65-C107 WeakPolarHBondContact O-CA 3.39Å; H65-T108 HydrophobicContact CB-CG2 3.94Å; H65-T108 PolarHBondContact N-OG1 3.44Å; H65-T108 VanDerWaalsContact N-OG1 3.09Å; H65-T108 PolarHBondContact O-N 3.4Å; H65-T108 VanDerWaalsContact O-N 3.12Å; H65-W122 HydrophobicContact CB-CH2 3.6Å; H65-W122 HydrophobicContact CB-CZ2 4.31Å; H65-W122 HydrophobicContact CB-CZ3 4.19Å; H65-C178 WeakPolarHBondContact CA-O 3.27Å; H65-W180 AromaticContact ND1-NE1 3.3Å; H65-W180 PolarHBondContact ND1-NE1 3.45Å
66	I	96.2	Very high	92.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124	172.9	-50.6	175.6	0	0	0	107.6	Y64 V68 L105 F106 L167 Q170 I177 C178 V179 W180 F205	Y64-I66 HydrophobicContact CD1-CD1 4.18Å; Y64-I66 HydrophobicContact CD1-CG1 3.9Å; Y64-I66 HydrophobicContact CE1-CD1 3.61Å; Y64-I66 HydrophobicContact CE1-CG1 3.43Å; Y64-I66 VanDerWaalsContact CE1-CG1 3.43Å; I66-V68 HydrophobicContact CG2-CG2 3.9Å; I66-L105 HydrophobicContact CG2-CD1 3.68Å; I66-L105 HydrophobicContact CG2-CD2 4.47Å; I66-L105 HydrophobicContact CG2-CG 4Å; I66-F106 CarbonylContact C-O 3.58Å; I66-F106 WeakPolarHBondContact CA-O 3.44Å; I66-L167 HydrophobicContact CD1-CD2 4.35Å; I66-Q170 HydrophobicContact CD1-CB 4.45Å; I66-Q170 HydrophobicContact CD1-CG 4.45Å; I66-I177 HydrophobicContact CD1-CG2 4.11Å; I66-I177 HydrophobicContact CG1-CG2 4.35Å; I66-C178 PolarHBondContact N-O 3.35Å; I66-V179 CarbonylContact O-C 3.48Å; I66-V179 WeakPolarHBondContact O-CA 3.49Å; I66-W180 PolarHBondContact O-N 3.36Å; I66-F205 HydrophobicContact CD1-CE1 3.97Å; I66-F205 HydrophobicContact CD1-CZ 3.82Å
67	V	98	Very high	92.6	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.3	172.4	-174.9	0	0	0	0	109	F47 V51 I69 L105 F106 W122 W180 P219	F47-V67 HydrophobicContact CE1-CG1 3.75Å; F47-V67 HydrophobicContact CZ-CG1 3.74Å; V51-V67 HydrophobicContact CG1-CG2 4.03Å; V51-V67 HydrophobicContact CG2-CG2 4.39Å; V67-I69 HydrophobicContact CG1-CG1 4.24Å; V67-L105 VanDerWaalsContact O-CA 3.3Å; V67-L105 WeakPolarHBondContact O-CA 3.28Å; V67-F106 HydrophobicContact CB-CB 4.09Å; V67-F106 HydrophobicContact CB-CD2 4.09Å; V67-F106 HydrophobicContact CG1-CD2 4.24Å; V67-F106 HydrophobicContact CG2-CB 4.38Å; V67-F106 PolarHBondContact N-O 3.16Å; V67-F106 PolarHBondContact O-N 3.43Å; V67-W122 HydrophobicContact CG2-CH2 4.13Å; V67-W122 HydrophobicContact CG2-CZ3 3.91Å; V67-W180 HydrophobicContact CB-CB 4.14Å; V67-W180 HydrophobicContact CG1-CB 4Å; V67-W180 HydrophobicContact CG2-CB 3.87Å; V67-W180 HydrophobicContact CG2-CG 3.87Å; V67-P219 HydrophobicContact CG1-CB 4.31Å
68	V	98.2	Very high	92.8	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	112	-174	-175.5	0	0	0	0	109.4	I66 I103 F163 V179 W180 Y181 V198 I202	I66-V68 HydrophobicContact CG2-CG2 3.9Å; V68-I103 HydrophobicContact CG1-CG2 3.82Å; V68-F163 HydrophobicContact CG1-CZ 4.49Å; V68-V179 HydrophobicContact CG2-CG1 4.32Å; V68-W180 PolarHBondContact N-O 2.95Å; V68-Y181 HydrophobicContact CB-CD2 3.92Å; V68-Y181 HydrophobicContact CB-CG 4.45Å; V68-Y181 HydrophobicContact CG1-CD2 4.03Å; V68-Y181 HydrophobicContact CG1-CE2 4.27Å; V68-V198 HydrophobicContact CG1-CG1 3.72Å; V68-I202 HydrophobicContact CG1-CD1 4.35Å; V68-I202 HydrophobicContact CG2-CD1 3.83Å
69	I	97.5	Very high	93	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	99.2	176.2	-52.9	-175.3	0	0	0	107.9	F47 V67 N90 F91 F94 L104 F106 I223	F47-I69 HydrophobicContact CE1-CD1 3.98Å; F47-I69 HydrophobicContact CZ-CD1 4.27Å; V67-I69 HydrophobicContact CG1-CG1 4.24Å; I69-N90 HydrophobicContact CG2-CB 4.09Å; I69-F91 HydrophobicContact CG2-CB 4.11Å; I69-F91 WeakPolarHBondContact O-CD2 3.4Å; I69-F94 HydrophobicContact CD1-CD2 3.57Å; I69-F94 HydrophobicContact CD1-CE2 3.48Å; I69-F94 VanDerWaalsContact CD1-CE2 3.48Å; I69-L104 HydrophobicContact CB-CB 4.31Å; I69-L104 PolarHBondContact N-O 2.86Å; I69-L104 PolarHBondContact O-N 3.08Å; I69-F106 HydrophobicContact CD1-CE2 3.99Å; I69-I223 HydrophobicContact CD1-CD1 4Å
70	P	97.7	Very high	93	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	143.9	-177.7	33.3	-36.3	0	0	0	111.9	D88 F91 Y181 N195 V198	P70-D88 WeakPolarHBondContact O-CB 3.3Å; P70-F91 WeakPolarHBondContact O-CB 3.45Å; P70-Y181 HydrophobicContact CG-CE2 4.02Å; P70-N195 HydrophobicContact CB-CB 3.94Å; P70-V198 HydrophobicContact CB-CB 4.23Å; P70-V198 HydrophobicContact CB-CG1 4.19Å; P70-V198 HydrophobicContact CB-CG2 3.98Å
71	A	97.6	Very high	93.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-68.8	157.2	158.4	0	0	0	0	0	110.1	F91 G102 N195	A71-F91 HydrophobicContact CB-CD1 3.59Å; A71-F91 HydrophobicContact CB-CD2 4.02Å; A71-F91 HydrophobicContact CB-CE1 3.59Å; A71-F91 HydrophobicContact CB-CE2 4.03Å; A71-F91 HydrophobicContact CB-CG 3.8Å; A71-F91 HydrophobicContact CB-CZ 3.82Å; A71-G102 PolarHBondContact N-O 3.01Å; A71-N195 PolarHBondContact O-ND2 2.88Å
72	S	96.8	Very high	93.9	Very high	17 Å²	17	47.7 Å²	47.7	12%	0.119	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-65.6	146.9	170.8	-74.7	0	0	0	0	111.4	H86 D88 P100 N101	S72-H86 WeakPolarHBondContact CB-O 3.38Å; S72-H86 PolarHBondContact OG-O 2.96Å; S72-D88 PolarHBondContact OG-N 2.75Å; S72-P100 WeakPolarHBondContact O-CA 3.25Å; S72-N101 PolarHBondContact O-N 3.33Å
73	E	95	Very high	94.2	Very high	24 Å²	24	53.8 Å²	53.8	11%	0.112	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-89.6	155.7	165.7	71	-178.6	-150.9	0	0	109.7	Q75 K196	E73-Q75 PolarHBondContact O-N 2.9Å; E73-Q75 PolarHBondContact OE1-NE2 2.88Å; E73-K196 VanDerWaalsContact OE1-CD 3.31Å; E73-K196 WeakPolarHBondContact OE1-CD 3.02Å; E73-K196 WeakPolarHBondContact OE1-CE 3.35Å; E73-K196 IonicContact OE1-NZ 2.65Å; E73-K196 PolarHBondContact OE1-NZ 2.91Å; E73-K196 WeakPolarHBondContact OE2-CB 3.4Å; E73-K196 PolarHBondContact OE2-N 3.42Å
74	I	93.7	Very high	94.4	Very high	46 Å²	46	59.1 Å²	59.1	24%	0.236	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-62.6	124.6	171.4	-63.5	174.6	0	0	0	109.1	Y76 P82 F85 P100	I74-Y76 HydrophobicContact CB-CE2 4.2Å; I74-Y76 HydrophobicContact CG2-CD2 4.34Å; I74-Y76 HydrophobicContact CG2-CE1 4.43Å; I74-Y76 HydrophobicContact CG2-CE2 3.83Å; I74-Y76 WeakPolarHBondContact O-CD2 3.49Å; I74-Y76 WeakPolarHBondContact O-CE2 3.46Å; I74-P82 HydrophobicContact CG2-CB 3.48Å; I74-P82 VanDerWaalsContact CG2-CB 3.48Å; I74-F85 HydrophobicContact CG1-CD2 4.15Å; I74-P100 HydrophobicContact CD1-CB 4.27Å; I74-P100 HydrophobicContact CD1-CG 4.12Å; I74-P100 HydrophobicContact CG1-CB 3.77Å; I74-P100 HydrophobicContact CG1-CG 4.16Å
75	Q	94.3	Very high	94.5	Very high	69 Å²	69	61.7 Å²	61.7	32%	0.322	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-92.4	141.8	173.3	-61.3	-58.3	-44.4	0	0	110.2	E73 P82 Y83	E73-Q75 PolarHBondContact O-N 2.9Å; E73-Q75 PolarHBondContact OE1-NE2 2.88Å; Q75-P82 CarbonylContact O-C 3.49Å; Q75-P82 WeakPolarHBondContact O-CA 3.26Å; Q75-Y83 HydrophobicContact CB-CD2 4.16Å; Q75-Y83 PolarHBondContact O-N 3.47Å
76	Y	92.9	Very high	94.4	Very high	130 Å²	130	65.9 Å²	65.9	51%	0.51	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.3	-175.3	-69.3	-94.8	0	0	0	111.5	I74 V81 P82	I74-Y76 HydrophobicContact CB-CE2 4.2Å; I74-Y76 HydrophobicContact CG2-CD2 4.34Å; I74-Y76 HydrophobicContact CG2-CE1 4.43Å; I74-Y76 HydrophobicContact CG2-CE2 3.83Å; I74-Y76 WeakPolarHBondContact O-CD2 3.49Å; I74-Y76 WeakPolarHBondContact O-CE2 3.46Å; Y76-V81 CarbonylContact C-O 3.58Å; Y76-V81 WeakPolarHBondContact CA-O 3.29Å; Y76-P82 HydrophobicContact CD1-CB 4.36Å; Y76-P82 HydrophobicContact CE1-CB 4.34Å
77	M	92.5	Very high	94.4	Very high	111 Å²	111	66.1 Å²	66.1	55%	0.547	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-29.9	175	71.9	175.4	-163.6	0	0	112.4	V81 Y83	M77-V81 HydrophobicContact CE-CB 3.98Å; M77-V81 HydrophobicContact CE-CG1 3.16Å; M77-V81 HydrophobicContact CG-CB 4Å; M77-V81 HydrophobicContact CG-CG1 3.98Å; M77-V81 WeakPolarHBondContact CG-O 3.44Å; M77-V81 PolarHBondContact N-O 3.24Å; M77-V81 HydrophobicContact SD-CG1 4.18Å; M77-Y83 HydrophobicContact CB-CD1 3.99Å; M77-Y83 HydrophobicContact CB-CD2 3.88Å; M77-Y83 HydrophobicContact CB-CE1 3.63Å; M77-Y83 HydrophobicContact CB-CE2 3.5Å; M77-Y83 HydrophobicContact CB-CG 4.11Å
78	A	93.6	Very high	94.2	Very high	53 Å²	53	67 Å²	67	44%	0.438	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	176.3	176.4	0	0	0	0	0	109.5	H80 V81	A78-H80 PolarHBondContact O-N 3.01Å; A78-V81 HydrophobicContact CB-CB 4.22Å; A78-V81 HydrophobicContact CB-CG2 4.26Å; A78-V81 PolarHBondContact N-O 3.16Å; A78-V81 PolarHBondContact O-N 2.95Å
79	Y	93.1	Very high	94.1	Very high	221 Å²	221	69.6 Å²	69.6	87%	0.867	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	116	175.4	-70.3	-71.5	0	0	0	111.2	V81	Y79-V81 PolarHBondContact O-N 3.24Å; Y79-V81 VanDerWaalsContact O-N 3.13Å
80	H	87.4	Confident	94	Very high	173 Å²	173	70 Å²	70	80%	0.801	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	13.7	-177.7	-56.3	-69.6	0	0	0	116.2	A78	A78-H80 PolarHBondContact O-N 3.01Å
81	V	92.3	Very high	94	Very high	60 Å²	60	69.9 Å²	69.9	36%	0.364	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110.2	174.9	-163.4	0	0	0	0	109.9	Y76 M77 A78 Y79	Y76-V81 CarbonylContact C-O 3.58Å; Y76-V81 WeakPolarHBondContact CA-O 3.29Å; M77-V81 HydrophobicContact CE-CB 3.98Å; M77-V81 HydrophobicContact CE-CG1 3.16Å; M77-V81 HydrophobicContact CG-CB 4Å; M77-V81 HydrophobicContact CG-CG1 3.98Å; M77-V81 WeakPolarHBondContact CG-O 3.44Å; M77-V81 PolarHBondContact N-O 3.24Å; M77-V81 HydrophobicContact SD-CG1 4.18Å; A78-V81 HydrophobicContact CB-CB 4.22Å; A78-V81 HydrophobicContact CB-CG2 4.26Å; A78-V81 PolarHBondContact N-O 3.16Å; A78-V81 PolarHBondContact O-N 2.95Å; Y79-V81 PolarHBondContact O-N 3.24Å; Y79-V81 VanDerWaalsContact O-N 3.13Å
82	P	93.5	Very high	94	Very high	63 Å²	63	71.7 Å²	71.7	41%	0.409	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	150.4	-178.5	33.5	-35.8	0	0	0	111.6	I74 Q75 Y76	I74-P82 HydrophobicContact CG2-CB 3.48Å; I74-P82 VanDerWaalsContact CG2-CB 3.48Å; Q75-P82 CarbonylContact O-C 3.49Å; Q75-P82 WeakPolarHBondContact O-CA 3.26Å; Y76-P82 HydrophobicContact CD1-CB 4.36Å; Y76-P82 HydrophobicContact CE1-CB 4.34Å
83	Y	94	Very high	94	Very high	130 Å²	130	71.6 Å²	71.6	51%	0.51	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-66.1	157.6	154.5	-73.7	-74.9	0	0	0	109.3	Q75 M77 F85	Q75-Y83 HydrophobicContact CB-CD2 4.16Å; Q75-Y83 PolarHBondContact O-N 3.47Å; M77-Y83 HydrophobicContact CB-CD1 3.99Å; M77-Y83 HydrophobicContact CB-CD2 3.88Å; M77-Y83 HydrophobicContact CB-CE1 3.63Å; M77-Y83 HydrophobicContact CB-CE2 3.5Å; M77-Y83 HydrophobicContact CB-CG 4.11Å; Y83-F85 PolarHBondContact O-N 3.3Å
84	P	91.8	Very high	94.2	Very high	123 Å²	123	70.5 Å²	70.5	80%	0.799	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-50.1	126.5	165.5	-25.8	35.2	0	0	0	110.3	H86	P84-H86 PolarHBondContact O-N 3.47Å
85	F	93.1	Very high	94.4	Very high	59 Å²	59	68.3 Å²	68.3	26%	0.259	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-61.3	138	-177	177.7	-106.2	0	0	0	111	I74 Y83 Q87 N98 P100	I74-F85 HydrophobicContact CG1-CD2 4.15Å; Y83-F85 PolarHBondContact O-N 3.3Å; F85-Q87 HydrophobicContact CE1-CB 3.94Å; F85-Q87 HydrophobicContact CZ-CB 4.25Å; F85-N98 WeakPolarHBondContact CE1-O 3.14Å; F85-P100 HydrophobicContact CD2-CB 4.09Å; F85-P100 HydrophobicContact CE2-CB 3.62Å; F85-P100 HydrophobicContact CZ-CB 3.96Å
86	H	93.2	Very high	94.5	Very high	87 Å²	87	66.4 Å²	66.4	40%	0.403	34%	0.335	S	S	.	.			trans	-131	126.4	173.3	-178.3	-102.5	0	0	0	108.8	S72 P84 R317	S72-H86 WeakPolarHBondContact CB-O 3.38Å; S72-H86 PolarHBondContact OG-O 2.96Å; P84-H86 PolarHBondContact O-N 3.47Å; H86-R317 PolarHBondContact CD2-NH1 3.42Å; H86-R317 PolarHBondContact NE2-NH1 2.97Å
87	Q	95.4	Very high	94.6	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.028	31%	0.314	C	S	.	.			trans	-78.7	154.6	-177.8	-172	57.2	-76.9	0	0	112	F85 P89 F91 F92 L97 N98 E99	F85-Q87 HydrophobicContact CE1-CB 3.94Å; F85-Q87 HydrophobicContact CZ-CB 4.25Å; Q87-P89 WeakPolarHBondContact O-CD 3.35Å; Q87-F91 HydrophobicContact CG-CD1 4.16Å; Q87-F92 HydrophobicContact CB-CB 4.42Å; Q87-F92 HydrophobicContact CG-CB 3.77Å; Q87-F92 HydrophobicContact CG-CD2 4.2Å; Q87-F92 HydrophobicContact CG-CG 4.36Å; Q87-L97 PolarHBondContact NE2-O 2.94Å; Q87-N98 WeakPolarHBondContact CB-OD1 3.49Å; Q87-E99 PolarHBondContact NE2-O 3.36Å
88	D	95.6	Very high	94.6	Very high	20 Å²	20	60.1 Å²	60.1	11%	0.107	31%	0.313	C	S	.	.			trans	-64.5	123	166.5	178.5	-82.4	0	0	0	109.4	P70 S72 N90 F91 F92	P70-D88 WeakPolarHBondContact O-CB 3.3Å; S72-D88 PolarHBondContact OG-N 2.75Å; D88-N90 VanDerWaalsContact C-N 3.26Å; D88-N90 PolarHBondContact O-N 3.28Å; D88-N90 WeakPolarHBondContact OD1-CA 3.39Å; D88-N90 WeakPolarHBondContact OD1-CB 3.45Å; D88-N90 PolarHBondContact OD1-N 3.41Å; D88-F91 HydrophobicContact CB-CB 4.01Å; D88-F91 PolarHBondContact O-N 2.92Å; D88-F91 PolarHBondContact OD1-N 3.09Å; D88-F92 WeakPolarHBondContact O-CB 3.31Å; D88-F92 PolarHBondContact O-N 2.89Å
89	P	95.1	Very high	94.5	Very high	57 Å²	57	60.9 Å²	60.9	37%	0.37	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-30.9	-175.3	-25.6	35	0	0	0	114	Q87 Y93	Q87-P89 WeakPolarHBondContact O-CD 3.35Å; P89-Y93 WeakPolarHBondContact O-CB 3.39Å; P89-Y93 PolarHBondContact O-N 3.3Å
90	N	96.2	Very high	94.5	Very high	13 Å²	13	51 Å²	51	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-75.6	-44.6	179.9	-69.6	-17.9	0	0	0	110.3	I69 D88 F92 Y93 F94 D220 I223 R227	I69-N90 HydrophobicContact CG2-CB 4.09Å; D88-N90 VanDerWaalsContact C-N 3.26Å; D88-N90 PolarHBondContact O-N 3.28Å; D88-N90 WeakPolarHBondContact OD1-CA 3.39Å; D88-N90 WeakPolarHBondContact OD1-CB 3.45Å; D88-N90 PolarHBondContact OD1-N 3.41Å; N90-F92 VanDerWaalsContact C-N 3.34Å; N90-F92 PolarHBondContact O-N 3.13Å; N90-Y93 PolarHBondContact O-N 2.91Å; N90-F94 WeakPolarHBondContact O-CD2 3.21Å; N90-F94 PolarHBondContact O-N 3.47Å; N90-D220 PolarHBondContact ND2-OD1 3.28Å; N90-I223 HydrophobicContact CB-CD1 4.14Å; N90-I223 HydrophobicContact CB-CG2 4.22Å; N90-I223 VanDerWaalsContact OD1-CG2 3.28Å; N90-I223 WeakPolarHBondContact OD1-CG2 3.41Å; N90-R227 PolarHBondContact OD1-NH1 3.37Å
91	F	97.6	Very high	94.8	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-47.4	172.2	-178.7	-94.9	0	0	0	111.4	I69 P70 A71 Q87 D88 Y93 F94 T95 L97 L104 L126	I69-F91 HydrophobicContact CG2-CB 4.11Å; I69-F91 WeakPolarHBondContact O-CD2 3.4Å; P70-F91 WeakPolarHBondContact O-CB 3.45Å; A71-F91 HydrophobicContact CB-CD1 3.59Å; A71-F91 HydrophobicContact CB-CD2 4.02Å; A71-F91 HydrophobicContact CB-CE1 3.59Å; A71-F91 HydrophobicContact CB-CE2 4.03Å; A71-F91 HydrophobicContact CB-CG 3.8Å; A71-F91 HydrophobicContact CB-CZ 3.82Å; Q87-F91 HydrophobicContact CG-CD1 4.16Å; D88-F91 HydrophobicContact CB-CB 4.01Å; D88-F91 PolarHBondContact O-N 2.92Å; D88-F91 PolarHBondContact OD1-N 3.09Å; F91-Y93 VanDerWaalsContact C-N 3.33Å; F91-Y93 PolarHBondContact O-N 3.17Å; F91-F94 PolarHBondContact O-N 2.73Å; F91-T95 HydrophobicContact CD2-CG2 4.23Å; F91-T95 HydrophobicContact CE1-CG2 4.39Å; F91-T95 WeakPolarHBondContact CE1-OG1 3.36Å; F91-T95 HydrophobicContact CE2-CG2 3.96Å; F91-T95 HydrophobicContact CZ-CG2 4.04Å; F91-T95 WeakPolarHBondContact O-CB 3.47Å; F91-T95 WeakPolarHBondContact O-CG2 3.17Å; F91-T95 PolarHBondContact O-N 3.09Å; F91-T95 VanDerWaalsContact O-N 3.09Å; F91-T95 PolarHBondContact O-OG1 2.93Å; F91-L97 HydrophobicContact CE1-CB 3.91Å; F91-L97 HydrophobicContact CZ-CB 4.46Å; F91-L104 HydrophobicContact CD2-CB 4.08Å; F91-L104 HydrophobicContact CE2-CB 4.08Å; F91-L126 HydrophobicContact CE2-CD1 4.13Å; F91-L126 HydrophobicContact CZ-CD1 4.18Å
92	F	96.9	Very high	95	Very high	40 Å²	40	41.4 Å²	41.4	18%	0.175	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-40	178.2	-168	-110	0	0	0	112	Q87 D88 N90 F94 T95 G96 L97 N98 N319	Q87-F92 HydrophobicContact CB-CB 4.42Å; Q87-F92 HydrophobicContact CG-CB 3.77Å; Q87-F92 HydrophobicContact CG-CD2 4.2Å; Q87-F92 HydrophobicContact CG-CG 4.36Å; D88-F92 WeakPolarHBondContact O-CB 3.31Å; D88-F92 PolarHBondContact O-N 2.89Å; N90-F92 VanDerWaalsContact C-N 3.34Å; N90-F92 PolarHBondContact O-N 3.13Å; F92-F94 VanDerWaalsContact C-N 3.31Å; F92-F94 PolarHBondContact O-N 3.04Å; F92-T95 PolarHBondContact O-N 3.16Å; F92-G96 VanDerWaalsContact CE2-C 3.49Å; F92-G96 VanDerWaalsContact CE2-O 3.25Å; F92-G96 WeakPolarHBondContact CE2-O 3.42Å; F92-G96 WeakPolarHBondContact O-CA 3.48Å; F92-G96 PolarHBondContact O-N 3.11Å; F92-L97 WeakPolarHBondContact CD2-O 3.37Å; F92-N98 HydrophobicContact CE2-CB 4.11Å; F92-N319 WeakPolarHBondContact CE1-O 3.21Å
93	Y	97.8	Very high	95.2	Very high	15 Å²	15	38.4 Å²	38.4	6%	0.059	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-37.7	179.3	178.5	-103.4	0	0	0	113.1	R43 P89 N90 F91 I226 R227 E234	R43-Y93 HydrophobicContact CB-CE1 3.96Å; R43-Y93 VanDerWaalsContact CD-O 3.26Å; R43-Y93 WeakPolarHBondContact CD-O 3.28Å; R43-Y93 HydrophobicContact CG-CE1 3.84Å; R43-Y93 HydrophobicContact CG-CE2 4.37Å; R43-Y93 PolarHBondContact NH1-O 3.32Å; P89-Y93 WeakPolarHBondContact O-CB 3.39Å; P89-Y93 PolarHBondContact O-N 3.3Å; N90-Y93 PolarHBondContact O-N 2.91Å; F91-Y93 VanDerWaalsContact C-N 3.33Å; F91-Y93 PolarHBondContact O-N 3.17Å; Y93-I226 HydrophobicContact CE1-CD1 3.7Å; Y93-I226 HydrophobicContact CE1-CG1 4.06Å; Y93-R227 HydrophobicContact CD1-CG 3.93Å; Y93-R227 HydrophobicContact CD2-CG 3.93Å; Y93-R227 HydrophobicContact CE1-CG 3.74Å; Y93-R227 HydrophobicContact CE2-CG 3.75Å; Y93-R227 HydrophobicContact CG-CG 4.01Å; Y93-E234 WeakPolarHBondContact CE2-OE1 3.37Å
94	F	98.3	Very high	95.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-91.1	-20.1	-178.2	-69.2	-62.5	0	0	0	115	R43 R44 F47 I69 N90 F91 F92 L104 I223 I226	R43-F94 HydrophobicContact CB-CD1 3.96Å; R43-F94 HydrophobicContact CB-CE1 4.17Å; R43-F94 WeakPolarHBondContact O-CE1 3.46Å; R44-F94 HydrophobicContact CG-CB 4.14Å; R44-F94 HydrophobicContact CG-CD1 3.84Å; R44-F94 HydrophobicContact CG-CG 4.35Å; R44-F94 PolarHBondContact NH1-O 3.49Å; F47-F94 HydrophobicContact CB-CE1 3.68Å; F47-F94 HydrophobicContact CB-CZ 3.73Å; F47-F94 HydrophobicContact CD1-CE1 4.35Å; F47-F94 HydrophobicContact CD1-CE2 4.47Å; F47-F94 AromaticContact CD1-CZ 3.94Å; F47-F94 HydrophobicContact CD1-CZ 3.94Å; F47-F94 AromaticContact CD2-CZ 3.99Å; F47-F94 HydrophobicContact CD2-CZ 3.99Å; F47-F94 HydrophobicContact CG-CE1 4.03Å; F47-F94 HydrophobicContact CG-CE2 4.46Å; F47-F94 AromaticContact CG-CZ 3.6Å; F47-F94 HydrophobicContact CG-CZ 3.6Å; I69-F94 HydrophobicContact CD1-CD2 3.57Å; I69-F94 HydrophobicContact CD1-CE2 3.48Å; I69-F94 VanDerWaalsContact CD1-CE2 3.48Å; N90-F94 WeakPolarHBondContact O-CD2 3.21Å; N90-F94 PolarHBondContact O-N 3.47Å; F91-F94 PolarHBondContact O-N 2.73Å; F92-F94 VanDerWaalsContact C-N 3.31Å; F92-F94 PolarHBondContact O-N 3.04Å; F94-L104 HydrophobicContact CB-CD2 3.3Å; F94-L104 HydrophobicContact CD2-CD2 4.26Å; F94-L104 HydrophobicContact CG-CD2 3.99Å; F94-I223 HydrophobicContact CE2-CD1 4.07Å; F94-I223 HydrophobicContact CE2-CG1 3.95Å; F94-I223 HydrophobicContact CE2-CG2 3.88Å; F94-I223 HydrophobicContact CZ-CG1 4.12Å; F94-I223 HydrophobicContact CZ-CG2 4.07Å; F94-I226 HydrophobicContact CE1-CD1 3.64Å; F94-I226 HydrophobicContact CZ-CD1 3.58Å
95	T	97.6	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-116	-29	-173.4	66.1	0	0	0	0	113.4	L40 F91 F92 L97 L104 L126 T152	L40-T95 WeakPolarHBondContact CD1-O 3.44Å; F91-T95 HydrophobicContact CD2-CG2 4.23Å; F91-T95 HydrophobicContact CE1-CG2 4.39Å; F91-T95 WeakPolarHBondContact CE1-OG1 3.36Å; F91-T95 HydrophobicContact CE2-CG2 3.96Å; F91-T95 HydrophobicContact CZ-CG2 4.04Å; F91-T95 WeakPolarHBondContact O-CB 3.47Å; F91-T95 WeakPolarHBondContact O-CG2 3.17Å; F91-T95 PolarHBondContact O-N 3.09Å; F91-T95 VanDerWaalsContact O-N 3.09Å; F91-T95 PolarHBondContact O-OG1 2.93Å; F92-T95 PolarHBondContact O-N 3.16Å; T95-L97 PolarHBondContact O-N 3.49Å; T95-L97 PolarHBondContact OG1-N 2.96Å; T95-L97 VanDerWaalsContact OG1-N 3.08Å; T95-L104 HydrophobicContact CG2-CB 4.15Å; T95-L104 HydrophobicContact CG2-CD1 4.28Å; T95-L104 HydrophobicContact CG2-CD2 3.96Å; T95-L104 HydrophobicContact CG2-CG 4.38Å; T95-L126 HydrophobicContact CG2-CD1 4.22Å; T95-T152 WeakPolarHBondContact O-CG2 3.32Å
96	G	95.7	Very high	96	Very high	30 Å²	30	23.6 Å²	23.6	31%	0.309	13%	0.129	S	C	.	.			trans	68.1	6.2	-166.8	0	0	0	0	0	114.1	F92	F92-G96 VanDerWaalsContact CE2-C 3.49Å; F92-G96 VanDerWaalsContact CE2-O 3.25Å; F92-G96 WeakPolarHBondContact CE2-O 3.42Å; F92-G96 WeakPolarHBondContact O-CA 3.48Å; F92-G96 PolarHBondContact O-N 3.11Å
97	L	95.3	Very high	96.1	Very high	13 Å²	13	19.6 Å²	19.6	7%	0.068	11%	0.11	C	C	.	.			trans	-90	126.7	-176	-65.6	-175.3	0	0	0	112.5	Q87 F91 F92 T95 L126 V128 L143 A151 T152	Q87-L97 PolarHBondContact NE2-O 2.94Å; F91-L97 HydrophobicContact CE1-CB 3.91Å; F91-L97 HydrophobicContact CZ-CB 4.46Å; F92-L97 WeakPolarHBondContact CD2-O 3.37Å; T95-L97 PolarHBondContact O-N 3.49Å; T95-L97 PolarHBondContact OG1-N 2.96Å; T95-L97 VanDerWaalsContact OG1-N 3.08Å; L97-L126 HydrophobicContact CD1-CD2 3.95Å; L97-V128 HydrophobicContact CD1-CG1 4.41Å; L97-L143 HydrophobicContact CD1-CD1 4.32Å; L97-L143 HydrophobicContact CD2-CD1 3.77Å; L97-A151 HydrophobicContact CD2-CB 4.01Å; L97-T152 HydrophobicContact CD1-CG2 3.49Å; L97-T152 VanDerWaalsContact CD1-CG2 3.49Å; L97-T152 HydrophobicContact CD2-CG2 3.82Å; L97-T152 HydrophobicContact CG-CG2 3.47Å; L97-T152 VanDerWaalsContact CG-CG2 3.47Å
98	N	92.9	Very high	96	Very high	96 Å²	96	19.5 Å²	19.5	51%	0.513	11%	0.11	S	C	.	.			trans	-102.9	15	176.5	-157.7	51	0	0	0	113.3	F85 Q87 F92	F85-N98 WeakPolarHBondContact CE1-O 3.14Å; Q87-N98 WeakPolarHBondContact CB-OD1 3.49Å; F92-N98 HydrophobicContact CE2-CB 4.11Å
99	E	91.7	Very high	95.5	Very high	69 Å²	69	22.2 Å²	22.2	32%	0.322	13%	0.125	S	C	.	.			trans	-74.4	139.9	172.2	-71.7	-60.4	133.3	0	0	110.6	Q87 R131 L143	Q87-E99 PolarHBondContact NE2-O 3.36Å; E99-R131 IonicContact OE2-NH1 2.73Å; E99-R131 IonicContact OE2-NH2 3.31Å; E99-R131 PolarHBondContact OE2-NH2 2.98Å; E99-L143 HydrophobicContact CG-CD1 3.73Å; E99-L143 HydrophobicContact CG-CG 4.01Å
100	P	93.7	Very high	94.5	Very high	12 Å²	12	23.6 Å²	23.6	8%	0.078	13%	0.125	C	C	.	.	S	Bend	trans	-66	159.8	171.1	32.3	-36.2	0	0	0	110.1	S72 I74 F85	S72-P100 WeakPolarHBondContact O-CA 3.25Å; I74-P100 HydrophobicContact CD1-CB 4.27Å; I74-P100 HydrophobicContact CD1-CG 4.12Å; I74-P100 HydrophobicContact CG1-CB 3.77Å; I74-P100 HydrophobicContact CG1-CG 4.16Å; F85-P100 HydrophobicContact CD2-CB 4.09Å; F85-P100 HydrophobicContact CE2-CB 3.62Å; F85-P100 HydrophobicContact CZ-CB 3.96Å
101	N	93.3	Very high	93.2	Very high	32 Å²	32	25.4 Å²	25.4	17%	0.171	14%	0.137	C	C	.	.	S	Bend	trans	56	102	172.1	-55.1	-45.9	0	0	0	113.9	S72 E129 L160	S72-N101 PolarHBondContact O-N 3.33Å; N101-E129 HydrophobicContact CB-CB 4Å; N101-E129 PolarHBondContact ND2-OE2 3.34Å; N101-E129 PolarHBondContact O-N 3.42Å; N101-L160 HydrophobicContact CB-CD2 3.79Å
102	G	96.3	Very high	91.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	168.7	178.4	0	0	0	0	0	110.6	A71 F127	A71-G102 PolarHBondContact N-O 3.01Å; G102-F127 CarbonylContact C-O 3.59Å; G102-F127 WeakPolarHBondContact CA-O 3.2Å
103	I	98.6	Very high	89.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	118.7	-178.2	-47.3	171.5	0	0	0	107.7	V68 L105 F127 L160 F163 V198	V68-I103 HydrophobicContact CG1-CG2 3.82Å; I103-L105 HydrophobicContact CG2-CB 4.42Å; I103-F127 HydrophobicContact CB-CB 4.07Å; I103-F127 HydrophobicContact CB-CD2 4.24Å; I103-F127 HydrophobicContact CG1-CB 4.42Å; I103-F127 PolarHBondContact N-O 3.07Å; I103-F127 PolarHBondContact O-N 2.9Å; I103-L160 HydrophobicContact CD1-CD1 3.63Å; I103-L160 HydrophobicContact CG1-CD1 3.75Å; I103-F163 HydrophobicContact CD1-CB 4.01Å; I103-F163 HydrophobicContact CD1-CD1 3.24Å; I103-F163 HydrophobicContact CD1-CD2 3.5Å; I103-F163 HydrophobicContact CD1-CE1 3.39Å; I103-F163 HydrophobicContact CD1-CE2 3.64Å; I103-F163 HydrophobicContact CD1-CG 3.29Å; I103-F163 HydrophobicContact CD1-CZ 3.57Å; I103-F163 HydrophobicContact CG2-CE2 4.12Å; I103-F163 HydrophobicContact CG2-CZ 4.32Å; I103-V198 HydrophobicContact CD1-CG1 4.48Å; I103-V198 HydrophobicContact CD1-CG2 3.63Å; I103-V198 HydrophobicContact CG1-CG2 3.63Å
104	L	98.7	Very high	87.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	119	161.6	-179.9	68.3	0	0	0	107	I69 F91 F94 T95 F106 T124 L126 V154	I69-L104 HydrophobicContact CB-CB 4.31Å; I69-L104 PolarHBondContact N-O 2.86Å; I69-L104 PolarHBondContact O-N 3.08Å; F91-L104 HydrophobicContact CD2-CB 4.08Å; F91-L104 HydrophobicContact CE2-CB 4.08Å; F94-L104 HydrophobicContact CB-CD2 3.3Å; F94-L104 HydrophobicContact CD2-CD2 4.26Å; F94-L104 HydrophobicContact CG-CD2 3.99Å; T95-L104 HydrophobicContact CG2-CB 4.15Å; T95-L104 HydrophobicContact CG2-CD1 4.28Å; T95-L104 HydrophobicContact CG2-CD2 3.96Å; T95-L104 HydrophobicContact CG2-CG 4.38Å; L104-F106 HydrophobicContact CD1-CZ 4.36Å; L104-F106 HydrophobicContact CD2-CE2 3.72Å; L104-F106 HydrophobicContact CD2-CZ 3.64Å; L104-F106 HydrophobicContact CG-CE2 3.83Å; L104-F106 HydrophobicContact CG-CZ 3.93Å; L104-T124 HydrophobicContact CD1-CG2 3.62Å; L104-L126 HydrophobicContact CD1-CD1 4.48Å; L104-V154 HydrophobicContact CD1-CG2 4.35Å
105	L	98.5	Very high	86	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.7	-178.4	-179.4	145.3	0	0	0	109.8	I66 V67 I103 C107 T124 H125 F127 F163 F166	I66-L105 HydrophobicContact CG2-CD1 3.68Å; I66-L105 HydrophobicContact CG2-CD2 4.47Å; I66-L105 HydrophobicContact CG2-CG 4Å; V67-L105 VanDerWaalsContact O-CA 3.3Å; V67-L105 WeakPolarHBondContact O-CA 3.28Å; I103-L105 HydrophobicContact CG2-CB 4.42Å; L105-C107 HydrophobicContact CD2-CB 3.91Å; L105-C107 VanDerWaalsContact CD2-SG 3.6Å; L105-T124 WeakPolarHBondContact O-CA 3.47Å; L105-H125 HydrophobicContact CB-CB 4.31Å; L105-H125 HydrophobicContact CD2-CB 4.17Å; L105-H125 PolarHBondContact N-O 3.03Å; L105-H125 PolarHBondContact O-N 3.26Å; L105-F127 HydrophobicContact CB-CD2 4.46Å; L105-F127 HydrophobicContact CB-CE2 4.14Å; L105-F127 HydrophobicContact CD1-CE2 4.4Å; L105-F163 HydrophobicContact CD1-CE2 3.72Å; L105-F166 HydrophobicContact CD1-CD1 4.34Å; L105-F166 HydrophobicContact CD1-CE1 4Å; L105-F166 HydrophobicContact CD2-CE1 3.79Å; L105-F166 HydrophobicContact CD2-CZ 3.96Å
106	F	98	Very high	84.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.4	166.6	-53.4	-89.4	0	0	0	108.2	R44 F47 V48 I66 V67 I69 L104 W122 S123 T124	R44-F106 HydrophobicContact CB-CE1 3.91Å; R44-F106 HydrophobicContact CB-CZ 4.04Å; R44-F106 HydrophobicContact CG-CE1 4.08Å; R44-F106 HydrophobicContact CG-CZ 3.83Å; F47-F106 HydrophobicContact CD1-CD2 4.25Å; F47-F106 AromaticContact CD1-CE2 3.85Å; F47-F106 HydrophobicContact CD1-CE2 3.85Å; F47-F106 HydrophobicContact CD1-CZ 4.19Å; F47-F106 AromaticContact CE1-CD2 3.9Å; F47-F106 HydrophobicContact CE1-CD2 3.9Å; F47-F106 AromaticContact CE1-CE2 3.79Å; F47-F106 HydrophobicContact CE1-CE2 3.79Å; V48-F106 HydrophobicContact CG2-CB 4.4Å; V48-F106 HydrophobicContact CG2-CD1 3.5Å; V48-F106 HydrophobicContact CG2-CE1 3.88Å; V48-F106 HydrophobicContact CG2-CG 4.01Å; I66-F106 CarbonylContact C-O 3.58Å; I66-F106 WeakPolarHBondContact CA-O 3.44Å; V67-F106 HydrophobicContact CB-CB 4.09Å; V67-F106 HydrophobicContact CB-CD2 4.09Å; V67-F106 HydrophobicContact CG1-CD2 4.24Å; V67-F106 HydrophobicContact CG2-CB 4.38Å; V67-F106 PolarHBondContact N-O 3.16Å; V67-F106 PolarHBondContact O-N 3.43Å; I69-F106 HydrophobicContact CD1-CE2 3.99Å; L104-F106 HydrophobicContact CD1-CZ 4.36Å; L104-F106 HydrophobicContact CD2-CE2 3.72Å; L104-F106 HydrophobicContact CD2-CZ 3.64Å; L104-F106 HydrophobicContact CG-CE2 3.83Å; L104-F106 HydrophobicContact CG-CZ 3.93Å; F106-W122 HydrophobicContact CB-CE3 3.82Å; F106-W122 HydrophobicContact CB-CZ3 4Å; F106-S123 WeakPolarHBondContact CA-O 3.36Å; F106-T124 HydrophobicContact CD1-CG2 3.99Å; F106-T124 WeakPolarHBondContact CD1-OG1 3.37Å; F106-T124 HydrophobicContact CE1-CG2 3.68Å; F106-T124 WeakPolarHBondContact CE1-OG1 3.45Å; F106-T124 HydrophobicContact CZ-CG2 4.39Å
107	C	95.2	Very high	82.4	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.02	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.7	171.8	52.5	0	0	0	0	112	Y64 H65 L105 W122 S123	Y64-C107 HydrophobicContact CE2-CB 4.44Å; Y64-C107 WeakPolarHBondContact OH-CB 3.33Å; H65-C107 VanDerWaalsContact O-CA 3.23Å; H65-C107 WeakPolarHBondContact O-CA 3.39Å; L105-C107 HydrophobicContact CD2-CB 3.91Å; L105-C107 VanDerWaalsContact CD2-SG 3.6Å; C107-W122 CarbonylContact O-C 3.43Å; C107-W122 WeakPolarHBondContact O-CA 3.37Å; C107-S123 PolarHBondContact N-O 3.2Å; C107-S123 PolarHBondContact O-N 2.94Å; C107-S123 PolarHBondContact O-OG 2.97Å; C107-S123 VanDerWaalsContact O-OG 3.08Å; C107-S123 PolarHBondContact SG-OG 3.44Å
108	T	92.7	Very high	80.8	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.025	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	168.4	174.9	59.9	0	0	0	0	110.8	Y64 H65 L120 N121 W122	Y64-T108 WeakPolarHBondContact CE2-O 3.45Å; H65-T108 HydrophobicContact CB-CG2 3.94Å; H65-T108 PolarHBondContact N-OG1 3.44Å; H65-T108 VanDerWaalsContact N-OG1 3.09Å; H65-T108 PolarHBondContact O-N 3.4Å; H65-T108 VanDerWaalsContact O-N 3.12Å; T108-L120 HydrophobicContact CG2-CB 3.76Å; T108-L120 HydrophobicContact CG2-CD1 3.97Å; T108-L120 HydrophobicContact CG2-CG 4.28Å; T108-N121 CarbonylContact C-O 3.48Å; T108-N121 WeakPolarHBondContact CA-O 3.44Å; T108-W122 HydrophobicContact CG2-CD2 3.58Å; T108-W122 VanDerWaalsContact CG2-CE2 3.41Å; T108-W122 HydrophobicContact CG2-CE3 3.79Å; T108-W122 HydrophobicContact CG2-CG 4.27Å; T108-W122 HydrophobicContact CG2-CH2 3.72Å; T108-W122 HydrophobicContact CG2-CZ2 3.5Å; T108-W122 HydrophobicContact CG2-CZ3 3.86Å
109	D	86.5	Confident	79.7	Confident	78 Å²	78	61.6 Å²	61.6	42%	0.417	31%	0.31	S	S	.	.			trans	-65.5	156.8	161.7	-73.9	-21.6	0	0	0	110.9	T111 N121	D109-T111 PolarHBondContact O-N 2.81Å; D109-N121 PolarHBondContact N-O 2.81Å; D109-N121 WeakPolarHBondContact OD2-CB 3.49Å; D109-N121 PolarHBondContact OD2-ND2 2.85Å
110	K	73.6	Confident	78.9	Confident	85 Å²	85	59.1 Å²	59.1	37%	0.37	30%	0.299	S	S	.	.			trans	-82.2	104.8	173.6	-64.2	-174.5	-178	178.8	0	108.9	Y64 H169 Q175	Y64-K110 HydrophobicContact CD2-CG 3.93Å; Y64-K110 HydrophobicContact CE2-CG 3.8Å; K110-H169 PolarHBondContact NZ-O 2.93Å; K110-Q175 VanDerWaalsContact CG-OE1 3.32Å
111	T	68.2	Low	78.6	Confident	52 Å²	52	63.4 Å²	63.4	32%	0.319	32%	0.321	S	S	.	.			trans	-104.5	136.3	171.1	58.5	0	0	0	0	111.8	D109 Q175	D109-T111 PolarHBondContact O-N 2.81Å; T111-Q175 PolarHBondContact O-NE2 3Å
112	E	62.8	Low	78.6	Confident	194 Å²	194	63.6 Å²	63.6	91%	0.907	32%	0.319	S	S	*	.	S	Bend	trans	-70.8	-38.7	178.7	-67.6	-172.2	163.7	0	0	111.6
113	E	59.1	Low	78.5	Confident	174 Å²	174	65 Å²	65	81%	0.813	33%	0.329	S	S	*	.	S	Bend	trans	-125.6	143.2	178.3	-67.6	-174.5	170	0	0	110.8
114	R	58.5	Low	78.5	Confident	47 Å²	47	66.6 Å²	66.6	18%	0.177	34%	0.339	C	S	.	.			trans	-97.3	101.8	176.4	-168.4	-174.6	-160.9	-96.7	-8.4	108.4	A55 K56 D116	A55-R114 PolarHBondContact O-NH2 2.97Å; K56-R114 VanDerWaalsContact CG-NH2 3.3Å; R114-D116 IonicContact NH1-OD1 3.49Å; R114-D116 PolarHBondContact NH1-OD1 2.74Å
115	D	58.9	Low	78.5	Confident	107 Å²	107	67.6 Å²	67.6	57%	0.572	34%	0.343	S	S	*	.			trans	-73.4	124.5	161.4	-172.7	-6.6	0	0	0	108.1	Q117 S118	D115-Q117 PolarHBondContact O-N 3.08Å; D115-Q117 PolarHBondContact OD1-N 3.38Å; D115-S118 PolarHBondContact O-N 2.84Å; D115-S118 VanDerWaalsContact O-N 3.15Å; D115-S118 PolarHBondContact O-OG 3.04Å; D115-S118 VanDerWaalsContact O-OG 3.08Å
116	D	59.4	Low	78.5	Confident	90 Å²	90	67.6 Å²	67.6	48%	0.481	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.7	-175.2	-85.4	-24.6	0	0	0	112.9	K61 R114	K61-D116 IonicContact NZ-OD1 2.74Å; K61-D116 PolarHBondContact NZ-OD1 2.96Å; K61-D116 IonicContact NZ-OD2 2.89Å; K61-D116 PolarHBondContact NZ-OD2 2.85Å; R114-D116 IonicContact NH1-OD1 3.49Å; R114-D116 PolarHBondContact NH1-OD1 2.74Å
117	Q	58.6	Low	78.5	Confident	172 Å²	172	67.7 Å²	67.7	80%	0.804	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-19.9	179.7	-65	-171.6	17.1	0	0	114.9	D115	D115-Q117 PolarHBondContact O-N 3.08Å; D115-Q117 PolarHBondContact OD1-N 3.38Å
118	S	62.4	Low	78.6	Confident	57 Å²	57	68 Å²	68	40%	0.399	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-74.9	135.8	-175.9	64.8	0	0	0	0	112.3	D115	D115-S118 PolarHBondContact O-N 2.84Å; D115-S118 VanDerWaalsContact O-N 3.15Å; D115-S118 PolarHBondContact O-OG 3.04Å; D115-S118 VanDerWaalsContact O-OG 3.08Å
119	D	68.9	Low	78.6	Confident	116 Å²	116	70.8 Å²	70.8	62%	0.62	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-75.2	133.5	168.3	-80.1	-39.9	0	0	0	110.1	N52 K56 N121	N52-D119 PolarHBondContact ND2-OD1 3.28Å; K56-D119 IonicContact NZ-OD1 3.5Å; K56-D119 PolarHBondContact NZ-OD1 3.43Å; D119-N121 PolarHBondContact O-N 2.94Å
120	L	74.9	Confident	78.8	Confident	18 Å²	18	70.2 Å²	70.2	9%	0.094	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-67	126.4	174.7	-63.2	168.1	0	0	0	108.1	A55 T108	A55-L120 HydrophobicContact CB-CD1 4.3Å; T108-L120 HydrophobicContact CG2-CB 3.76Å; T108-L120 HydrophobicContact CG2-CD1 3.97Å; T108-L120 HydrophobicContact CG2-CG 4.28Å
121	N	87.3	Confident	79.5	Confident	101 Å²	101	68 Å²	68	54%	0.54	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-77.4	127.8	170.9	-175.7	33.6	0	0	0	109.1	T108 D109 D119	T108-N121 CarbonylContact C-O 3.48Å; T108-N121 WeakPolarHBondContact CA-O 3.44Å; D109-N121 PolarHBondContact N-O 2.81Å; D109-N121 WeakPolarHBondContact OD2-CB 3.49Å; D109-N121 PolarHBondContact OD2-ND2 2.85Å; D119-N121 PolarHBondContact O-N 2.94Å
122	W	93	Very high	80.5	Confident	37 Å²	37	70.5 Å²	70.5	14%	0.14	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.7	-175.7	-70.1	85	0	0	0	111.3	V48 V51 H65 V67 F106 C107 T108	V48-W122 HydrophobicContact CG1-CB 3.7Å; V48-W122 HydrophobicContact CG1-CD2 3.62Å; V48-W122 HydrophobicContact CG1-CE3 4.42Å; V48-W122 HydrophobicContact CG1-CG 3.26Å; V51-W122 HydrophobicContact CB-CH2 4.31Å; V51-W122 HydrophobicContact CB-CZ2 4.32Å; V51-W122 HydrophobicContact CG1-CH2 3.45Å; V51-W122 VanDerWaalsContact CG1-CH2 3.45Å; V51-W122 HydrophobicContact CG1-CZ2 3.73Å; V51-W122 HydrophobicContact CG1-CZ3 4.46Å; H65-W122 HydrophobicContact CB-CH2 3.6Å; H65-W122 HydrophobicContact CB-CZ2 4.31Å; H65-W122 HydrophobicContact CB-CZ3 4.19Å; V67-W122 HydrophobicContact CG2-CH2 4.13Å; V67-W122 HydrophobicContact CG2-CZ3 3.91Å; F106-W122 HydrophobicContact CB-CE3 3.82Å; F106-W122 HydrophobicContact CB-CZ3 4Å; C107-W122 CarbonylContact O-C 3.43Å; C107-W122 WeakPolarHBondContact O-CA 3.37Å; T108-W122 HydrophobicContact CG2-CD2 3.58Å; T108-W122 VanDerWaalsContact CG2-CE2 3.41Å; T108-W122 HydrophobicContact CG2-CE3 3.79Å; T108-W122 HydrophobicContact CG2-CG 4.27Å; T108-W122 HydrophobicContact CG2-CH2 3.72Å; T108-W122 HydrophobicContact CG2-CZ2 3.5Å; T108-W122 HydrophobicContact CG2-CZ3 3.86Å
123	S	95	Very high	81.7	Confident	30 Å²	30	69.6 Å²	69.6	21%	0.21	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.6	168.9	50.2	0	0	0	0	110	F106 C107 H125	F106-S123 WeakPolarHBondContact CA-O 3.36Å; C107-S123 PolarHBondContact N-O 3.2Å; C107-S123 PolarHBondContact O-N 2.94Å; C107-S123 PolarHBondContact O-OG 2.97Å; C107-S123 VanDerWaalsContact O-OG 3.08Å; C107-S123 PolarHBondContact SG-OG 3.44Å; S123-H125 PolarHBondContact OG-NE2 3.36Å
124	T	98	Very high	83.3	Confident	33 Å²	33	67.3 Å²	67.3	20%	0.202	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.8	173.9	-55.5	0	0	0	0	108.7	L104 L105 F106 V154 N156	L104-T124 HydrophobicContact CD1-CG2 3.62Å; L105-T124 WeakPolarHBondContact O-CA 3.47Å; F106-T124 HydrophobicContact CD1-CG2 3.99Å; F106-T124 WeakPolarHBondContact CD1-OG1 3.37Å; F106-T124 HydrophobicContact CE1-CG2 3.68Å; F106-T124 WeakPolarHBondContact CE1-OG1 3.45Å; F106-T124 HydrophobicContact CZ-CG2 4.39Å; T124-V154 HydrophobicContact CG2-CG1 3.87Å; T124-V154 HydrophobicContact CG2-CG2 3.92Å; T124-N156 WeakPolarHBondContact O-CB 3.5Å; T124-N156 PolarHBondContact O-ND2 2.93Å; T124-N156 VanDerWaalsContact O-ND2 3.14Å
125	H	98.4	Very high	84.7	Confident	22 Å²	22	66.3 Å²	66.3	10%	0.102	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.5	178.3	-66	-100.4	0	0	0	109.8	L105 S123 F127 N156 H158 F166	L105-H125 HydrophobicContact CB-CB 4.31Å; L105-H125 HydrophobicContact CD2-CB 4.17Å; L105-H125 PolarHBondContact N-O 3.03Å; L105-H125 PolarHBondContact O-N 3.26Å; S123-H125 PolarHBondContact OG-NE2 3.36Å; H125-F127 HydrophobicContact CB-CE2 3.86Å; H125-F127 HydrophobicContact CB-CZ 4.48Å; H125-N156 WeakPolarHBondContact CA-O 3.29Å; H125-H158 AromaticContact ND1-CD2 3.81Å; H125-H158 AromaticContact ND1-NE2 3.26Å; H125-H158 PolarHBondContact ND1-NE2 3.43Å; H125-F166 AromaticContact CE1-CE2 3.96Å
126	L	98.7	Very high	86.1	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.7	176.4	-179.2	66.1	0	0	0	109.4	F91 T95 L97 L104 V128 A148 T152 V154 N156 S157 H158	F91-L126 HydrophobicContact CE2-CD1 4.13Å; F91-L126 HydrophobicContact CZ-CD1 4.18Å; T95-L126 HydrophobicContact CG2-CD1 4.22Å; L97-L126 HydrophobicContact CD1-CD2 3.95Å; L104-L126 HydrophobicContact CD1-CD1 4.48Å; L126-V128 HydrophobicContact CD1-CG1 4.38Å; L126-V128 HydrophobicContact CD2-CG1 4.11Å; L126-V128 HydrophobicContact CG-CG1 3.92Å; L126-A148 HydrophobicContact CD2-CB 4.08Å; L126-T152 HydrophobicContact CD2-CG2 3.8Å; L126-V154 HydrophobicContact CB-CB 4.16Å; L126-V154 HydrophobicContact CB-CG1 3.79Å; L126-N156 PolarHBondContact N-O 3.44Å; L126-S157 CarbonylContact O-C 3.58Å; L126-S157 VanDerWaalsContact O-CA 3.25Å; L126-S157 WeakPolarHBondContact O-CA 3.26Å; L126-H158 PolarHBondContact O-N 3.22Å
127	F	98.5	Very high	87.7	Confident	1 Å²	1	67 Å²	67	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123	173.7	-62.4	-95.1	0	0	0	108.8	G102 I103 L105 H125 H158 L160 F163 F166	G102-F127 CarbonylContact C-O 3.59Å; G102-F127 WeakPolarHBondContact CA-O 3.2Å; I103-F127 HydrophobicContact CB-CB 4.07Å; I103-F127 HydrophobicContact CB-CD2 4.24Å; I103-F127 HydrophobicContact CG1-CB 4.42Å; I103-F127 PolarHBondContact N-O 3.07Å; I103-F127 PolarHBondContact O-N 2.9Å; L105-F127 HydrophobicContact CB-CD2 4.46Å; L105-F127 HydrophobicContact CB-CE2 4.14Å; L105-F127 HydrophobicContact CD1-CE2 4.4Å; H125-F127 HydrophobicContact CB-CE2 3.86Å; H125-F127 HydrophobicContact CB-CZ 4.48Å; F127-H158 VanDerWaalsContact CA-O 3.3Å; F127-H158 WeakPolarHBondContact CA-O 3.39Å; F127-H158 HydrophobicContact CD1-CB 3.6Å; F127-H158 HydrophobicContact CE1-CB 3.65Å; F127-H158 HydrophobicContact CG-CB 4.38Å; F127-H158 HydrophobicContact CZ-CB 4.47Å; F127-L160 HydrophobicContact CB-CD1 4.05Å; F127-F163 HydrophobicContact CD1-CB 3.89Å; F127-F163 HydrophobicContact CD1-CD2 4.24Å; F127-F163 AromaticContact CD2-CD2 3.92Å; F127-F163 HydrophobicContact CD2-CD2 3.92Å; F127-F163 HydrophobicContact CE1-CB 4.2Å; F127-F163 HydrophobicContact CE1-CD2 4.22Å; F127-F163 AromaticContact CE2-CD2 3.88Å; F127-F163 HydrophobicContact CE2-CD2 3.88Å; F127-F163 HydrophobicContact CE2-CE2 4.41Å; F127-F163 HydrophobicContact CG-CB 4.27Å; F127-F163 HydrophobicContact CG-CD2 4.11Å; F127-F163 HydrophobicContact CZ-CD2 4.04Å; F127-F166 HydrophobicContact CE1-CB 4.15Å; F127-F166 HydrophobicContact CE1-CG 4.47Å; F127-F166 HydrophobicContact CZ-CB 3.89Å; F127-F166 HydrophobicContact CZ-CD1 4.21Å; F127-F166 AromaticContact CZ-CD2 3.94Å; F127-F166 HydrophobicContact CZ-CD2 3.94Å; F127-F166 AromaticContact CZ-CG 3.75Å; F127-F166 HydrophobicContact CZ-CG 3.75Å
128	V	96.8	Very high	89.1	Confident	10 Å²	10	68 Å²	68	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.4	-179.7	-66.9	0	0	0	0	111.6	L97 L126 T130 L145 A148 H158 P159 L160	L97-V128 HydrophobicContact CD1-CG1 4.41Å; L126-V128 HydrophobicContact CD1-CG1 4.38Å; L126-V128 HydrophobicContact CD2-CG1 4.11Å; L126-V128 HydrophobicContact CG-CG1 3.92Å; V128-T130 PolarHBondContact O-N 3.15Å; V128-L145 HydrophobicContact CG2-CD2 3.6Å; V128-A148 HydrophobicContact CG1-CB 4.06Å; V128-A148 HydrophobicContact CG2-CB 4.21Å; V128-H158 PolarHBondContact N-O 2.88Å; V128-P159 CarbonylContact O-C 3.53Å; V128-L160 WeakPolarHBondContact O-CB 3.46Å; V128-L160 PolarHBondContact O-N 3.34Å
129	E	93.6	Very high	90.2	Very high	63 Å²	63	70.3 Å²	70.3	29%	0.294	35%	0.346	S	S	.	.			trans	-60.3	131.6	171.5	-176.2	173.2	-158.7	0	0	110.5	N101 R131 L160	N101-E129 HydrophobicContact CB-CB 4Å; N101-E129 PolarHBondContact ND2-OE2 3.34Å; N101-E129 PolarHBondContact O-N 3.42Å; E129-R131 IonicContact OE2-NH2 3.35Å; E129-L160 HydrophobicContact CB-CD2 4.4Å
130	T	90.4	Very high	91.1	Very high	66 Å²	66	66 Å²	66	41%	0.405	33%	0.33	S	S	.	.			trans	-115.1	128.1	173.3	53.1	0	0	0	0	108.5	V128 L145 P159	V128-T130 PolarHBondContact O-N 3.15Å; T130-L145 HydrophobicContact CG2-CD2 4.13Å; T130-P159 HydrophobicContact CG2-CB 4.27Å
131	R	87.2	Confident	91.7	Very high	38 Å²	38	70.1 Å²	70.1	14%	0.143	36%	0.357	C	S	.	.			trans	-99	146.1	-176.5	-69.4	178	-167.4	126.3	13.8	110.6	E99 E129 A135 E136 G140 P141 S142	E99-R131 IonicContact OE2-NH1 2.73Å; E99-R131 IonicContact OE2-NH2 3.31Å; E99-R131 PolarHBondContact OE2-NH2 2.98Å; E129-R131 IonicContact OE2-NH2 3.35Å; R131-A135 HydrophobicContact CB-CB 3.98Å; R131-A135 HydrophobicContact CG-CB 4.16Å; R131-E136 HydrophobicContact CB-CG 3.79Å; R131-G140 PolarHBondContact NH1-O 3.43Å; R131-P141 PolarHBondContact NH1-O 3.01Å; R131-S142 PolarHBondContact N-OG 3.24Å
132	N	89.8	Confident	91.6	Very high	104 Å²	104	66 Å²	66	56%	0.556	34%	0.337	S	S	*	.			trans	-84.3	165	166.2	67.3	33.3	0	0	0	110	H134 A135 E136	N132-H134 PolarHBondContact O-N 3.36Å; N132-H134 WeakPolarHBondContact OD1-CB 3.34Å; N132-H134 PolarHBondContact OD1-N 3.15Å; N132-H134 VanDerWaalsContact OD1-N 3.13Å; N132-A135 PolarHBondContact O-N 3.36Å; N132-A135 PolarHBondContact OD1-N 3.41Å; N132-E136 WeakPolarHBondContact O-CG 3.45Å; N132-E136 PolarHBondContact O-N 3.3Å
133	K	89.1	Confident	91.4	Very high	176 Å²	176	66.2 Å²	66.2	77%	0.765	34%	0.34	S	S	*	.	H	α-helix	trans	-52.5	-33.1	-179.1	-66	-174.9	178.7	-178	0	113.9	I137	K133-I137 WeakPolarHBondContact O-CG1 3.26Å; K133-I137 PolarHBondContact O-N 2.98Å
134	H	91.8	Very high	91.3	Very high	126 Å²	126	68.2 Å²	68.2	58%	0.583	35%	0.352	S	S	*	.	H	α-helix	trans	-69.1	-45.3	177.9	-177.7	79.9	0	0	0	111.5	N132 E136 I137 W138	N132-H134 PolarHBondContact O-N 3.36Å; N132-H134 WeakPolarHBondContact OD1-CB 3.34Å; N132-H134 PolarHBondContact OD1-N 3.15Å; N132-H134 VanDerWaalsContact OD1-N 3.13Å; H134-E136 VanDerWaalsContact C-N 3.31Å; H134-E136 PolarHBondContact O-N 2.85Å; H134-I137 PolarHBondContact O-N 3.27Å; H134-W138 AromaticContact CE1-NE1 3.65Å; H134-W138 AromaticContact NE2-CD1 3.82Å; H134-W138 AromaticContact NE2-NE1 3.51Å; H134-W138 VanDerWaalsContact O-CD1 3.32Å
135	A	87.3	Confident	91.1	Very high	25 Å²	25	69.3 Å²	69.3	21%	0.207	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-33.3	177.5	0	0	0	0	0	112.4	R131 N132 W138 N139	R131-A135 HydrophobicContact CB-CB 3.98Å; R131-A135 HydrophobicContact CG-CB 4.16Å; N132-A135 PolarHBondContact O-N 3.36Å; N132-A135 PolarHBondContact OD1-N 3.41Å; A135-W138 PolarHBondContact O-N 2.75Å; A135-N139 PolarHBondContact O-N 2.68Å; A135-N139 PolarHBondContact O-ND2 3.03Å
136	E	89.8	Confident	90.9	Very high	71 Å²	71	72 Å²	72	33%	0.332	38%	0.377	S	S	.	.	H	α-helix	trans	-67.8	-32.6	176.9	-65.9	-176.6	148.2	0	0	113.3	R131 N132 H134 W138 G140	R131-E136 HydrophobicContact CB-CG 3.79Å; N132-E136 WeakPolarHBondContact O-CG 3.45Å; N132-E136 PolarHBondContact O-N 3.3Å; H134-E136 VanDerWaalsContact C-N 3.31Å; H134-E136 PolarHBondContact O-N 2.85Å; E136-W138 PolarHBondContact O-N 3.37Å; E136-G140 WeakPolarHBondContact CA-O 3.46Å; E136-G140 CarbonylContact O-C 3.55Å; E136-G140 WeakPolarHBondContact O-CA 3.24Å; E136-G140 PolarHBondContact O-N 3.33Å
137	I	91.6	Very high	90.7	Very high	140 Å²	140	76.5 Å²	76.5	72%	0.718	40%	0.398	S	S	*	.	H	α-helix	trans	-60.4	-36.3	173.7	-70.2	164.3	0	0	0	110.9	K133 H134	K133-I137 WeakPolarHBondContact O-CG1 3.26Å; K133-I137 PolarHBondContact O-N 2.98Å; H134-I137 PolarHBondContact O-N 3.27Å
138	W	87.8	Confident	90.5	Very high	195 Å²	195	76.4 Å²	76.4	74%	0.739	40%	0.398	S	S	*	.	H	α-helix	trans	-86.9	-40.3	-178	-72.2	104.6	0	0	0	113.6	H134 A135 E136	H134-W138 AromaticContact CE1-NE1 3.65Å; H134-W138 AromaticContact NE2-CD1 3.82Å; H134-W138 AromaticContact NE2-NE1 3.51Å; H134-W138 VanDerWaalsContact O-CD1 3.32Å; A135-W138 PolarHBondContact O-N 2.75Å; E136-W138 PolarHBondContact O-N 3.37Å
139	N	85.9	Confident	90.5	Very high	104 Å²	104	77 Å²	77	56%	0.556	40%	0.402	S	S	*	.	H	α-helix	trans	-116.8	1.1	-166.8	-56.5	-68.9	0	0	0	113.7	A135	A135-N139 PolarHBondContact O-N 2.68Å; A135-N139 PolarHBondContact O-ND2 3.03Å
140	G	88	Confident	90.5	Very high	27 Å²	27	80 Å²	80	28%	0.278	42%	0.42	S	S	.	.			trans	77.8	171.4	-170.5	0	0	0	0	0	113.2	R131 E136	R131-G140 PolarHBondContact NH1-O 3.43Å; E136-G140 WeakPolarHBondContact CA-O 3.46Å; E136-G140 CarbonylContact O-C 3.55Å; E136-G140 WeakPolarHBondContact O-CA 3.24Å; E136-G140 PolarHBondContact O-N 3.33Å
141	P	86.9	Confident	90.7	Very high	103 Å²	103	79 Å²	79	67%	0.669	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-60.4	145.6	-178.6	27.6	-34.8	0	0	0	111	R131	R131-P141 PolarHBondContact NH1-O 3.01Å
142	S	86.6	Confident	91.1	Very high	15 Å²	15	77.2 Å²	77.2	11%	0.105	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-90.1	154.9	163.4	53.9	0	0	0	0	110.1	R131 T144	R131-S142 PolarHBondContact N-OG 3.24Å; S142-T144 PolarHBondContact O-N 2.76Å
143	L	88.7	Confident	91.4	Very high	41 Å²	41	73.9 Å²	73.9	22%	0.215	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-56.6	131.6	167.5	-68.8	171.5	0	0	0	110.2	L97 E99 E147	L97-L143 HydrophobicContact CD1-CD1 4.32Å; L97-L143 HydrophobicContact CD2-CD1 3.77Å; E99-L143 HydrophobicContact CG-CD1 3.73Å; E99-L143 HydrophobicContact CG-CG 4.01Å; L143-E147 HydrophobicContact CD2-CB 3.97Å
144	T	92.2	Very high	91.8	Very high	73 Å²	73	65.6 Å²	65.6	45%	0.448	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-68	160	162.2	64.4	0	0	0	0	109.8	S142 S146 E147 A148	S142-T144 PolarHBondContact O-N 2.76Å; T144-S146 PolarHBondContact O-N 3Å; T144-E147 WeakPolarHBondContact CB-OE2 3.45Å; T144-E147 WeakPolarHBondContact CG2-OE2 3.41Å; T144-E147 PolarHBondContact N-OE2 3.41Å; T144-E147 PolarHBondContact O-N 3.17Å; T144-E147 WeakPolarHBondContact OG1-CB 3.35Å; T144-E147 WeakPolarHBondContact OG1-CG 3.37Å; T144-E147 PolarHBondContact OG1-N 3.26Å; T144-E147 PolarHBondContact OG1-OE2 3.38Å; T144-A148 PolarHBondContact O-N 3.32Å
145	L	94.5	Very high	91.8	Very high	56 Å²	56	66.4 Å²	66.4	29%	0.293	37%	0.374	S	S	.	.	H	α-helix	trans	-59.7	-37.4	177.8	-55.3	-177.1	0	0	0	111.9	V128 T130 A148 S149 P159	V128-L145 HydrophobicContact CG2-CD2 3.6Å; T130-L145 HydrophobicContact CG2-CD2 4.13Å; L145-A148 PolarHBondContact O-N 3.43Å; L145-S149 PolarHBondContact O-N 3.02Å; L145-S149 PolarHBondContact O-OG 3.48Å; L145-P159 HydrophobicContact CD1-CG 4.1Å; L145-P159 HydrophobicContact CD2-CG 4.42Å
146	S	94.4	Very high	92.3	Very high	78 Å²	78	68.7 Å²	68.7	55%	0.545	38%	0.383	S	S	.	.	H	α-helix	trans	-67.3	-42.8	177.1	-178.1	0	0	0	0	111.7	T144 A148 S149 L150	T144-S146 PolarHBondContact O-N 3Å; S146-A148 VanDerWaalsContact C-N 3.33Å; S146-A148 PolarHBondContact O-N 3.42Å; S146-S149 PolarHBondContact O-N 3.27Å; S146-L150 WeakPolarHBondContact O-CB 3.46Å; S146-L150 VanDerWaalsContact O-CG 3.28Å; S146-L150 WeakPolarHBondContact O-CG 3.2Å; S146-L150 PolarHBondContact O-N 2.92Å
147	E	94.2	Very high	92.6	Very high	94 Å²	94	66 Å²	66	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-64.1	-39.2	174.9	-71.4	162.9	146.3	0	0	111.7	L143 T144 L150 A151	L143-E147 HydrophobicContact CD2-CB 3.97Å; T144-E147 WeakPolarHBondContact CB-OE2 3.45Å; T144-E147 WeakPolarHBondContact CG2-OE2 3.41Å; T144-E147 PolarHBondContact N-OE2 3.41Å; T144-E147 PolarHBondContact O-N 3.17Å; T144-E147 WeakPolarHBondContact OG1-CB 3.35Å; T144-E147 WeakPolarHBondContact OG1-CG 3.37Å; T144-E147 PolarHBondContact OG1-N 3.26Å; T144-E147 PolarHBondContact OG1-OE2 3.38Å; E147-L150 PolarHBondContact O-N 3.36Å; E147-A151 WeakPolarHBondContact O-CB 3.29Å; E147-A151 PolarHBondContact O-N 2.93Å
148	A	94.6	Very high	92.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-44.9	174.6	0	0	0	0	0	111.5	L126 V128 T144 L145 S146 A151 T152	L126-A148 HydrophobicContact CD2-CB 4.08Å; V128-A148 HydrophobicContact CG1-CB 4.06Å; V128-A148 HydrophobicContact CG2-CB 4.21Å; T144-A148 PolarHBondContact O-N 3.32Å; L145-A148 PolarHBondContact O-N 3.43Å; S146-A148 VanDerWaalsContact C-N 3.33Å; S146-A148 PolarHBondContact O-N 3.42Å; A148-A151 PolarHBondContact O-N 2.99Å; A148-T152 WeakPolarHBondContact O-CB 3.44Å; A148-T152 VanDerWaalsContact O-CG2 3.27Å; A148-T152 WeakPolarHBondContact O-CG2 3.34Å; A148-T152 PolarHBondContact O-N 3.42Å; A148-T152 VanDerWaalsContact O-N 3.1Å; A148-T152 PolarHBondContact O-OG1 3.35Å
149	S	95.3	Very high	93.4	Very high	23 Å²	23	53.4 Å²	53.4	16%	0.161	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-45.5	174.9	-71.1	0	0	0	0	112.4	L145 S146 A151 T152 G153 V154 S157	L145-S149 PolarHBondContact O-N 3.02Å; L145-S149 PolarHBondContact O-OG 3.48Å; S146-S149 PolarHBondContact O-N 3.27Å; S149-A151 VanDerWaalsContact C-N 3.34Å; S149-A151 PolarHBondContact O-N 3.13Å; S149-T152 PolarHBondContact O-N 3.21Å; S149-G153 WeakPolarHBondContact O-CA 3.49Å; S149-G153 PolarHBondContact O-N 3.36Å; S149-V154 VanDerWaalsContact CA-O 3.31Å; S149-V154 WeakPolarHBondContact CA-O 3.49Å; S149-V154 WeakPolarHBondContact CB-O 3.49Å; S149-V154 PolarHBondContact OG-O 2.85Å; S149-S157 WeakPolarHBondContact OG-CB 3.45Å; S149-S157 PolarHBondContact OG-OG 3.04Å
150	L	94.8	Very high	93.9	Very high	125 Å²	125	49.4 Å²	49.4	65%	0.654	30%	0.299	S	S	*	.	H	α-helix	trans	-63	-38.8	177.9	-72.6	170.1	0	0	0	112.5	S146 E147	S146-L150 WeakPolarHBondContact O-CB 3.46Å; S146-L150 VanDerWaalsContact O-CG 3.28Å; S146-L150 WeakPolarHBondContact O-CG 3.2Å; S146-L150 PolarHBondContact O-N 2.92Å; E147-L150 PolarHBondContact O-N 3.36Å
151	A	94.3	Very high	94.2	Very high	46 Å²	46	52.5 Å²	52.5	38%	0.38	32%	0.316	S	S	.	.	H	α-helix	trans	-74.9	-27.3	-178.5	0	0	0	0	0	113.5	L37 L97 E147 A148 S149	L37-A151 VanDerWaalsContact CD2-O 3.24Å; L37-A151 WeakPolarHBondContact CD2-O 3.36Å; L97-A151 HydrophobicContact CD2-CB 4.01Å; E147-A151 WeakPolarHBondContact O-CB 3.29Å; E147-A151 PolarHBondContact O-N 2.93Å; A148-A151 PolarHBondContact O-N 2.99Å; S149-A151 VanDerWaalsContact C-N 3.34Å; S149-A151 PolarHBondContact O-N 3.13Å
152	T	96.2	Very high	94.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-111.3	-20.6	-171.7	63.3	0	0	0	0	114.6	R44 T95 L97 L126 A148 S149 V154	R44-T152 PolarHBondContact NH1-O 2.87Å; R44-T152 PolarHBondContact NH2-O 2.99Å; T95-T152 WeakPolarHBondContact O-CG2 3.32Å; L97-T152 HydrophobicContact CD1-CG2 3.49Å; L97-T152 VanDerWaalsContact CD1-CG2 3.49Å; L97-T152 HydrophobicContact CD2-CG2 3.82Å; L97-T152 HydrophobicContact CG-CG2 3.47Å; L97-T152 VanDerWaalsContact CG-CG2 3.47Å; L126-T152 HydrophobicContact CD2-CG2 3.8Å; A148-T152 WeakPolarHBondContact O-CB 3.44Å; A148-T152 VanDerWaalsContact O-CG2 3.27Å; A148-T152 WeakPolarHBondContact O-CG2 3.34Å; A148-T152 PolarHBondContact O-N 3.42Å; A148-T152 VanDerWaalsContact O-N 3.1Å; A148-T152 PolarHBondContact O-OG1 3.35Å; S149-T152 PolarHBondContact O-N 3.21Å; T152-V154 VanDerWaalsContact C-N 3.27Å; T152-V154 PolarHBondContact OG1-N 3.04Å; T152-V154 VanDerWaalsContact OG1-N 3.16Å
153	G	95.8	Very high	95.3	Very high	33 Å²	33	51 Å²	51	34%	0.34	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	23.9	-167.8	0	0	0	0	0	113.4	R44 S149	R44-G153 PolarHBondContact NH2-O 3.45Å; S149-G153 WeakPolarHBondContact O-CA 3.49Å; S149-G153 PolarHBondContact O-N 3.36Å
154	V	97.1	Very high	95.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	30%	0.296	C	S	.	.			trans	-101.1	112.6	172.7	179.9	0	0	0	0	109.1	L104 T124 L126 S149 T152 S157	L104-V154 HydrophobicContact CD1-CG2 4.35Å; T124-V154 HydrophobicContact CG2-CG1 3.87Å; T124-V154 HydrophobicContact CG2-CG2 3.92Å; L126-V154 HydrophobicContact CB-CB 4.16Å; L126-V154 HydrophobicContact CB-CG1 3.79Å; S149-V154 VanDerWaalsContact CA-O 3.31Å; S149-V154 WeakPolarHBondContact CA-O 3.49Å; S149-V154 WeakPolarHBondContact CB-O 3.49Å; S149-V154 PolarHBondContact OG-O 2.85Å; T152-V154 VanDerWaalsContact C-N 3.27Å; T152-V154 PolarHBondContact OG1-N 3.04Å; T152-V154 VanDerWaalsContact OG1-N 3.16Å; V154-S157 PolarHBondContact O-OG 3.42Å
155	D	92.1	Very high	95.9	Very high	142 Å²	142	54.1 Å²	54.1	76%	0.759	31%	0.307	S	S	*	.	S	Bend	trans	-72.8	-34	-175.2	-61.7	-42.4	0	0	0	113	S157	D155-S157 PolarHBondContact O-N 2.63Å
156	N	96.8	Very high	95.9	Very high	74 Å²	74	53.1 Å²	53.1	40%	0.396	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	70.5	-178.2	-55.5	-55.6	0	0	0	111.7	T124 H125 L126 H158	T124-N156 WeakPolarHBondContact O-CB 3.5Å; T124-N156 PolarHBondContact O-ND2 2.93Å; T124-N156 VanDerWaalsContact O-ND2 3.14Å; H125-N156 WeakPolarHBondContact CA-O 3.29Å; L126-N156 PolarHBondContact N-O 3.44Å; N156-H158 PolarHBondContact O-CD2 2.9Å; N156-H158 PolarHBondContact O-NE2 2.93Å
157	S	97.3	Very high	96	Very high	15 Å²	15	49.5 Å²	49.5	11%	0.105	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.6	174.4	-67	0	0	0	0	112.3	L126 S149 V154 D155	L126-S157 CarbonylContact O-C 3.58Å; L126-S157 VanDerWaalsContact O-CA 3.25Å; L126-S157 WeakPolarHBondContact O-CA 3.26Å; S149-S157 WeakPolarHBondContact OG-CB 3.45Å; S149-S157 PolarHBondContact OG-OG 3.04Å; V154-S157 PolarHBondContact O-OG 3.42Å; D155-S157 PolarHBondContact O-N 2.63Å
158	H	97.9	Very high	95.9	Very high	48 Å²	48	48.1 Å²	48.1	22%	0.222	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152.9	-176.1	-55.7	-84.2	0	0	0	111	H125 L126 F127 V128 N156	H125-H158 AromaticContact ND1-CD2 3.81Å; H125-H158 AromaticContact ND1-NE2 3.26Å; H125-H158 PolarHBondContact ND1-NE2 3.43Å; L126-H158 PolarHBondContact O-N 3.22Å; F127-H158 VanDerWaalsContact CA-O 3.3Å; F127-H158 WeakPolarHBondContact CA-O 3.39Å; F127-H158 HydrophobicContact CD1-CB 3.6Å; F127-H158 HydrophobicContact CE1-CB 3.65Å; F127-H158 HydrophobicContact CG-CB 4.38Å; F127-H158 HydrophobicContact CZ-CB 4.47Å; V128-H158 PolarHBondContact N-O 2.88Å; N156-H158 PolarHBondContact O-CD2 2.9Å; N156-H158 PolarHBondContact O-NE2 2.93Å
159	P	96.9	Very high	95.7	Very high	22 Å²	22	53.6 Å²	53.6	14%	0.143	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	139.9	167.6	-18.8	31.9	0	0	0	111	V128 T130 L145 S161 E162	V128-P159 CarbonylContact O-C 3.53Å; T130-P159 HydrophobicContact CG2-CB 4.27Å; L145-P159 HydrophobicContact CD1-CG 4.1Å; L145-P159 HydrophobicContact CD2-CG 4.42Å; P159-S161 PolarHBondContact O-N 2.88Å; P159-S161 VanDerWaalsContact O-N 3.1Å; P159-E162 HydrophobicContact CB-CG 4.27Å; P159-E162 HydrophobicContact CG-CG 4.27Å; P159-E162 WeakPolarHBondContact O-CB 3.24Å; P159-E162 PolarHBondContact O-N 3.29Å
160	L	97	Very high	95.3	Very high	20 Å²	20	53 Å²	53	11%	0.105	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-56.2	-30.8	178.3	-175.9	62.9	0	0	0	113	N101 I103 F127 V128 E129 E162 F163 F197	N101-L160 HydrophobicContact CB-CD2 3.79Å; I103-L160 HydrophobicContact CD1-CD1 3.63Å; I103-L160 HydrophobicContact CG1-CD1 3.75Å; F127-L160 HydrophobicContact CB-CD1 4.05Å; V128-L160 WeakPolarHBondContact O-CB 3.46Å; V128-L160 PolarHBondContact O-N 3.34Å; E129-L160 HydrophobicContact CB-CD2 4.4Å; L160-E162 PolarHBondContact O-N 3.12Å; L160-F163 VanDerWaalsContact O-CB 3.27Å; L160-F163 WeakPolarHBondContact O-CB 3.44Å; L160-F163 PolarHBondContact O-N 2.94Å; L160-F163 VanDerWaalsContact O-N 3.16Å; L160-F197 HydrophobicContact CD1-CD1 4.3Å; L160-F197 HydrophobicContact CD1-CE1 3.81Å; L160-F197 HydrophobicContact CD2-CD1 4.42Å; L160-F197 HydrophobicContact CD2-CE1 4.35Å; L160-F197 HydrophobicContact CG-CD1 4.37Å; L160-F197 HydrophobicContact CG-CE1 3.84Å; L160-F197 HydrophobicContact CG-CZ 4.42Å
161	S	95.2	Very high	94.7	Very high	91 Å²	91	47.6 Å²	47.6	64%	0.636	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24.2	174.9	51.9	0	0	0	0	113.7	P159 F163	P159-S161 PolarHBondContact O-N 2.88Å; P159-S161 VanDerWaalsContact O-N 3.1Å; S161-F163 VanDerWaalsContact C-N 3.33Å
162	E	97.6	Very high	94.1	Very high	87 Å²	87	52.2 Å²	52.2	41%	0.407	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-83.7	-9.6	179.6	-61.1	-167.3	166.7	0	0	113.2	P159 L160 S164 K165 F166	P159-E162 HydrophobicContact CB-CG 4.27Å; P159-E162 HydrophobicContact CG-CG 4.27Å; P159-E162 WeakPolarHBondContact O-CB 3.24Å; P159-E162 PolarHBondContact O-N 3.29Å; L160-E162 PolarHBondContact O-N 3.12Å; E162-S164 VanDerWaalsContact C-N 3.31Å; E162-S164 PolarHBondContact O-N 2.85Å; E162-K165 PolarHBondContact O-N 3.27Å; E162-K165 VanDerWaalsContact O-N 3.14Å; E162-F166 PolarHBondContact O-N 3.3Å
163	F	98.1	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-40.9	-177.8	-179.1	-119.2	0	0	0	113.3	V68 I103 L105 F127 L160 S161 F166 L167 F197 V198 K201 I202	V68-F163 HydrophobicContact CG1-CZ 4.49Å; I103-F163 HydrophobicContact CD1-CB 4.01Å; I103-F163 HydrophobicContact CD1-CD1 3.24Å; I103-F163 HydrophobicContact CD1-CD2 3.5Å; I103-F163 HydrophobicContact CD1-CE1 3.39Å; I103-F163 HydrophobicContact CD1-CE2 3.64Å; I103-F163 HydrophobicContact CD1-CG 3.29Å; I103-F163 HydrophobicContact CD1-CZ 3.57Å; I103-F163 HydrophobicContact CG2-CE2 4.12Å; I103-F163 HydrophobicContact CG2-CZ 4.32Å; L105-F163 HydrophobicContact CD1-CE2 3.72Å; F127-F163 HydrophobicContact CD1-CB 3.89Å; F127-F163 HydrophobicContact CD1-CD2 4.24Å; F127-F163 AromaticContact CD2-CD2 3.92Å; F127-F163 HydrophobicContact CD2-CD2 3.92Å; F127-F163 HydrophobicContact CE1-CB 4.2Å; F127-F163 HydrophobicContact CE1-CD2 4.22Å; F127-F163 AromaticContact CE2-CD2 3.88Å; F127-F163 HydrophobicContact CE2-CD2 3.88Å; F127-F163 HydrophobicContact CE2-CE2 4.41Å; F127-F163 HydrophobicContact CG-CB 4.27Å; F127-F163 HydrophobicContact CG-CD2 4.11Å; F127-F163 HydrophobicContact CZ-CD2 4.04Å; L160-F163 VanDerWaalsContact O-CB 3.27Å; L160-F163 WeakPolarHBondContact O-CB 3.44Å; L160-F163 PolarHBondContact O-N 2.94Å; L160-F163 VanDerWaalsContact O-N 3.16Å; S161-F163 VanDerWaalsContact C-N 3.33Å; F163-F166 WeakPolarHBondContact O-CB 3.37Å; F163-F166 PolarHBondContact O-N 2.77Å; F163-L167 HydrophobicContact CD1-CD1 4.16Å; F163-L167 HydrophobicContact CE1-CD1 3.53Å; F163-L167 HydrophobicContact CE1-CG 4.29Å; F163-L167 HydrophobicContact CE2-CD1 4.17Å; F163-L167 HydrophobicContact CE2-CD2 4.3Å; F163-L167 HydrophobicContact CE2-CG 4.09Å; F163-L167 HydrophobicContact CZ-CD1 3.56Å; F163-L167 HydrophobicContact CZ-CD2 4.26Å; F163-L167 HydrophobicContact CZ-CG 3.98Å; F163-L167 PolarHBondContact O-N 2.99Å; F163-F197 HydrophobicContact CD1-CE1 4.25Å; F163-V198 HydrophobicContact CE1-CG1 4.45Å; F163-K201 HydrophobicContact CD1-CB 4.01Å; F163-K201 HydrophobicContact CD1-CG 4.3Å; F163-K201 HydrophobicContact CE1-CB 3.91Å; F163-I202 HydrophobicContact CE1-CD1 4.36Å; F163-I202 HydrophobicContact CZ-CD1 4Å
164	S	96.1	Very high	92.3	Very high	23 Å²	23	57.6 Å²	57.6	16%	0.161	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-47.1	177.3	-57.1	0	0	0	0	111.3	E162 F166 L167 D168 K201	E162-S164 VanDerWaalsContact C-N 3.31Å; E162-S164 PolarHBondContact O-N 2.85Å; S164-F166 VanDerWaalsContact C-N 3.27Å; S164-F166 PolarHBondContact O-N 2.92Å; S164-L167 PolarHBondContact O-N 3.1Å; S164-L167 VanDerWaalsContact O-N 3.15Å; S164-D168 PolarHBondContact O-N 3.21Å; S164-K201 WeakPolarHBondContact OG-CD 3.32Å; S164-K201 WeakPolarHBondContact OG-CE 3.49Å; S164-K201 PolarHBondContact OG-NZ 2.7Å
165	K	96.6	Very high	91.4	Very high	157 Å²	157	58.2 Å²	58.2	68%	0.683	31%	0.311	S	S	*	.	H	α-helix	trans	-61.4	-38	177.8	-175.6	-177.1	176.8	-172.7	0	111.7	E162 H169	E162-K165 PolarHBondContact O-N 3.27Å; E162-K165 VanDerWaalsContact O-N 3.14Å; K165-H169 PolarHBondContact O-N 3.43Å; K165-H169 VanDerWaalsContact O-N 3.09Å
166	F	96	Very high	91.3	Very high	35 Å²	35	53.4 Å²	53.4	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-50.8	174.3	-177.4	-85.7	0	0	0	111	L105 H125 F127 E162 F163 S164 H169 Q170	L105-F166 HydrophobicContact CD1-CD1 4.34Å; L105-F166 HydrophobicContact CD1-CE1 4Å; L105-F166 HydrophobicContact CD2-CE1 3.79Å; L105-F166 HydrophobicContact CD2-CZ 3.96Å; H125-F166 AromaticContact CE1-CE2 3.96Å; F127-F166 HydrophobicContact CE1-CB 4.15Å; F127-F166 HydrophobicContact CE1-CG 4.47Å; F127-F166 HydrophobicContact CZ-CB 3.89Å; F127-F166 HydrophobicContact CZ-CD1 4.21Å; F127-F166 AromaticContact CZ-CD2 3.94Å; F127-F166 HydrophobicContact CZ-CD2 3.94Å; F127-F166 AromaticContact CZ-CG 3.75Å; F127-F166 HydrophobicContact CZ-CG 3.75Å; E162-F166 PolarHBondContact O-N 3.3Å; F163-F166 WeakPolarHBondContact O-CB 3.37Å; F163-F166 PolarHBondContact O-N 2.77Å; S164-F166 VanDerWaalsContact C-N 3.27Å; S164-F166 PolarHBondContact O-N 2.92Å; F166-H169 PolarHBondContact O-N 2.88Å; F166-Q170 HydrophobicContact CD1-CG 4.29Å; F166-Q170 HydrophobicContact CE1-CG 4.07Å; F166-Q170 WeakPolarHBondContact O-CG 3.15Å; F166-Q170 PolarHBondContact O-N 3.09Å
167	L	95.2	Very high	91.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-43.4	177.9	-70.5	-179.4	0	0	0	112.5	I66 F163 S164 H169 Q170 A171 K201 I202 F205	I66-L167 HydrophobicContact CD1-CD2 4.35Å; F163-L167 HydrophobicContact CD1-CD1 4.16Å; F163-L167 HydrophobicContact CE1-CD1 3.53Å; F163-L167 HydrophobicContact CE1-CG 4.29Å; F163-L167 HydrophobicContact CE2-CD1 4.17Å; F163-L167 HydrophobicContact CE2-CD2 4.3Å; F163-L167 HydrophobicContact CE2-CG 4.09Å; F163-L167 HydrophobicContact CZ-CD1 3.56Å; F163-L167 HydrophobicContact CZ-CD2 4.26Å; F163-L167 HydrophobicContact CZ-CG 3.98Å; F163-L167 PolarHBondContact O-N 2.99Å; S164-L167 PolarHBondContact O-N 3.1Å; S164-L167 VanDerWaalsContact O-N 3.15Å; L167-H169 VanDerWaalsContact C-N 3.26Å; L167-H169 PolarHBondContact O-N 3.36Å; L167-Q170 CarbonylContact O-C 3.56Å; L167-Q170 WeakPolarHBondContact O-CA 3.37Å; L167-Q170 WeakPolarHBondContact O-CB 3.3Å; L167-Q170 PolarHBondContact O-N 2.99Å; L167-A171 PolarHBondContact O-N 3.44Å; L167-K201 HydrophobicContact CD1-CB 4.4Å; L167-I202 HydrophobicContact CD1-CD1 3.81Å; L167-I202 HydrophobicContact CD2-CD1 4.47Å; L167-F205 HydrophobicContact CB-CB 4.21Å; L167-F205 HydrophobicContact CB-CD2 3.75Å; L167-F205 HydrophobicContact CB-CE2 4.3Å; L167-F205 HydrophobicContact CB-CG 4.06Å; L167-F205 HydrophobicContact CD1-CB 3.99Å; L167-F205 HydrophobicContact CD1-CG 4.29Å; L167-F205 HydrophobicContact CD2-CD1 4.4Å; L167-F205 HydrophobicContact CD2-CD2 4.48Å; L167-F205 HydrophobicContact CD2-CG 4.37Å; L167-F205 HydrophobicContact CG-CG 4.48Å; L167-F205 WeakPolarHBondContact O-CD2 3.46Å; L167-F205 WeakPolarHBondContact O-CE2 3.3Å
168	D	92.8	Very high	91	Very high	66 Å²	66	49.2 Å²	49.2	35%	0.353	27%	0.265	S	S	.	.	H	α-helix	trans	-58.1	-40.4	178.5	-65	-25.3	0	0	0	111	S164 Q170 A171 L172 Q208	S164-D168 PolarHBondContact O-N 3.21Å; D168-Q170 VanDerWaalsContact C-N 3.25Å; D168-Q170 PolarHBondContact O-N 3.37Å; D168-A171 WeakPolarHBondContact O-CB 3.25Å; D168-A171 PolarHBondContact O-N 3.04Å; D168-A171 VanDerWaalsContact O-N 3.14Å; D168-L172 PolarHBondContact O-N 3.41Å; D168-Q208 PolarHBondContact OD1-NE2 2.84Å
169	H	90.1	Very high	90.9	Very high	114 Å²	114	46.9 Å²	46.9	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-27.9	173.8	-177.3	-96.7	0	0	0	113.1	K110 K165 F166 L167	K110-H169 PolarHBondContact NZ-O 2.93Å; K165-H169 PolarHBondContact O-N 3.43Å; K165-H169 VanDerWaalsContact O-N 3.09Å; F166-H169 PolarHBondContact O-N 2.88Å; L167-H169 VanDerWaalsContact C-N 3.26Å; L167-H169 PolarHBondContact O-N 3.36Å
170	Q	86.5	Confident	90.8	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-75	-33.7	172.4	-48.7	-42.8	-20.7	0	0	112.2	Y64 I66 F166 L167 D168 L172 S173 F205	Y64-Q170 HydrophobicContact CE1-CB 3.99Å; Y64-Q170 HydrophobicContact CE1-CG 4.01Å; Y64-Q170 VanDerWaalsContact OH-CD 3.23Å; Y64-Q170 PolarHBondContact OH-OE1 3.43Å; I66-Q170 HydrophobicContact CD1-CB 4.45Å; I66-Q170 HydrophobicContact CD1-CG 4.45Å; F166-Q170 HydrophobicContact CD1-CG 4.29Å; F166-Q170 HydrophobicContact CE1-CG 4.07Å; F166-Q170 WeakPolarHBondContact O-CG 3.15Å; F166-Q170 PolarHBondContact O-N 3.09Å; L167-Q170 CarbonylContact O-C 3.56Å; L167-Q170 WeakPolarHBondContact O-CA 3.37Å; L167-Q170 WeakPolarHBondContact O-CB 3.3Å; L167-Q170 PolarHBondContact O-N 2.99Å; D168-Q170 VanDerWaalsContact C-N 3.25Å; D168-Q170 PolarHBondContact O-N 3.37Å; Q170-L172 PolarHBondContact O-N 3.43Å; Q170-S173 PolarHBondContact O-N 3.42Å; Q170-S173 VanDerWaalsContact O-N 3.12Å; Q170-S173 PolarHBondContact O-OG 3.05Å; Q170-F205 HydrophobicContact CB-CE2 4.05Å; Q170-F205 HydrophobicContact CB-CZ 4.23Å
171	A	83.2	Confident	90.7	Very high	11 Å²	11	45 Å²	45	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-24.6	-178.8	0	0	0	0	0	113.1	L167 D168 S173 F205 Q208 I209	L167-A171 PolarHBondContact O-N 3.44Å; D168-A171 WeakPolarHBondContact O-CB 3.25Å; D168-A171 PolarHBondContact O-N 3.04Å; D168-A171 VanDerWaalsContact O-N 3.14Å; A171-S173 PolarHBondContact O-N 3.16Å; A171-F205 HydrophobicContact CB-CD2 3.99Å; A171-F205 HydrophobicContact CB-CE2 3.79Å; A171-Q208 HydrophobicContact CB-CB 4.13Å; A171-I209 HydrophobicContact CB-CD1 4.39Å; A171-I209 HydrophobicContact CB-CG1 4.1Å
172	L	81.2	Confident	90.4	Very high	143 Å²	143	41.4 Å²	41.4	75%	0.749	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.1	175.7	-62.5	177.5	0	0	0	113.5	D168 Q170	D168-L172 PolarHBondContact O-N 3.41Å; Q170-L172 PolarHBondContact O-N 3.43Å
173	S	78.4	Confident	89.9	Confident	15 Å²	15	38.7 Å²	38.7	11%	0.105	21%	0.207	C	C	.	.	S	Bend	trans	-75.1	147.2	177.3	84.8	0	0	0	0	111.8	Q170 A171 Q175 R213	Q170-S173 PolarHBondContact O-N 3.42Å; Q170-S173 VanDerWaalsContact O-N 3.12Å; Q170-S173 PolarHBondContact O-OG 3.05Å; A171-S173 PolarHBondContact O-N 3.16Å; S173-Q175 PolarHBondContact O-N 3.26Å; S173-Q175 PolarHBondContact OG-OE1 2.63Å; S173-R213 PolarHBondContact O-NH1 3.03Å
174	T	75.9	Confident	89.3	Confident	130 Å²	130	41.2 Å²	41.2	80%	0.798	22%	0.221	S	C	*	.			trans	-78.7	-3.2	174	50.5	0	0	0	0	112.8
175	Q	79.4	Confident	88.5	Confident	16 Å²	16	41 Å²	41	8%	0.075	22%	0.219	C	C	.	.	S	Bend	trans	-69.5	158.4	-172.7	-66.2	173	-52.6	0	0	112.9	S63 K110 T111 S173 R213	S63-Q175 WeakPolarHBondContact OG-CB 3.32Å; K110-Q175 VanDerWaalsContact CG-OE1 3.32Å; T111-Q175 PolarHBondContact O-NE2 3Å; S173-Q175 PolarHBondContact O-N 3.26Å; S173-Q175 PolarHBondContact OG-OE1 2.63Å; Q175-R213 PolarHBondContact O-NH1 3.28Å
176	S	89.7	Confident	86.9	Confident	42 Å²	42	39.3 Å²	39.3	29%	0.294	23%	0.227	S	C	.	.			trans	-79	130.8	160.2	51.2	0	0	0	0	109	P62 S63 Y64 R213	P62-S176 WeakPolarHBondContact CA-OG 3.36Å; S63-S176 PolarHBondContact N-O 3.03Å; S63-S176 VanDerWaalsContact N-O 3.14Å; S63-S176 PolarHBondContact N-OG 2.83Å; Y64-S176 PolarHBondContact N-O 2.83Å; S176-R213 CarbonylContact C-O 3.54Å; S176-R213 VanDerWaalsContact CA-O 3.29Å; S176-R213 WeakPolarHBondContact CA-O 3.2Å
177	I	93	Very high	85.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.5	-170.7	-57.6	172.2	0	0	0	108.6	Y64 I66 V179 F205 I209 R213 I214 S215	Y64-I177 HydrophobicContact CD1-CD1 4.46Å; Y64-I177 HydrophobicContact CD1-CG1 4.06Å; Y64-I177 HydrophobicContact CD1-CG2 4.06Å; Y64-I177 CarbonylContact O-C 3.37Å; Y64-I177 VanDerWaalsContact O-CA 3.3Å; Y64-I177 WeakPolarHBondContact O-CA 2.96Å; I66-I177 HydrophobicContact CD1-CG2 4.11Å; I66-I177 HydrophobicContact CG1-CG2 4.35Å; I177-V179 HydrophobicContact CG2-CG2 4.06Å; I177-F205 HydrophobicContact CD1-CZ 4.19Å; I177-F205 HydrophobicContact CG2-CE1 4.49Å; I177-F205 HydrophobicContact CG2-CZ 4.43Å; I177-I209 HydrophobicContact CD1-CD1 3.62Å; I177-I209 HydrophobicContact CD1-CG1 4.4Å; I177-R213 PolarHBondContact N-O 3.32Å; I177-I214 CarbonylContact O-C 3.54Å; I177-I214 VanDerWaalsContact O-CA 3.3Å; I177-I214 WeakPolarHBondContact O-CA 3.43Å; I177-S215 PolarHBondContact O-N 3.35Å
178	C	94.1	Very high	83.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.1	168.2	175.4	0	0	0	0	110.6	P62 Y64 H65 I66 S215	P62-C178 HydrophobicContact CB-CB 3.7Å; P62-C178 HydrophobicContact CG-CB 3.56Å; Y64-C178 PolarHBondContact O-N 3.02Å; H65-C178 WeakPolarHBondContact CA-O 3.27Å; I66-C178 PolarHBondContact N-O 3.35Å; C178-S215 WeakPolarHBondContact CA-O 3.29Å; C178-S215 WeakPolarHBondContact CB-OG 3.46Å
179	V	95.3	Very high	82.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.6	178.1	-176.3	0	0	0	0	109.1	I66 V68 I177 Y181 I202 F205 I214 S215 F216 E217	I66-V179 CarbonylContact O-C 3.48Å; I66-V179 WeakPolarHBondContact O-CA 3.49Å; V68-V179 HydrophobicContact CG2-CG1 4.32Å; I177-V179 HydrophobicContact CG2-CG2 4.06Å; V179-Y181 PolarHBondContact O-N 2.92Å; V179-I202 HydrophobicContact CG1-CG2 4.19Å; V179-F205 HydrophobicContact CG2-CD1 4.47Å; V179-F205 HydrophobicContact CG2-CE1 3.89Å; V179-I214 HydrophobicContact CG2-CD1 3.98Å; V179-I214 HydrophobicContact CG2-CG1 4.35Å; V179-S215 PolarHBondContact N-O 2.87Å; V179-F216 HydrophobicContact CB-CD1 3.81Å; V179-F216 HydrophobicContact CB-CE1 3.78Å; V179-F216 HydrophobicContact CG1-CD1 4.18Å; V179-F216 HydrophobicContact CG1-CE1 4.03Å; V179-F216 HydrophobicContact CG2-CE1 4.28Å; V179-F216 VanDerWaalsContact O-CA 3.29Å; V179-F216 WeakPolarHBondContact O-CA 3.46Å; V179-E217 PolarHBondContact O-N 2.97Å
180	W	95.8	Very high	81.4	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	97.6	172.4	-57.2	80.2	0	0	0	109	V51 C54 M58 H65 I66 V67 V68 E217 P219 L222	V51-W180 HydrophobicContact CG1-CD2 4.25Å; V51-W180 HydrophobicContact CG1-CH2 4.47Å; V51-W180 HydrophobicContact CG1-CZ2 3.73Å; C54-W180 HydrophobicContact CB-CH2 3.71Å; C54-W180 HydrophobicContact CB-CZ2 4.41Å; M58-W180 HydrophobicContact CE-CH2 3.3Å; M58-W180 HydrophobicContact CE-CZ2 3.06Å; M58-W180 HydrophobicContact CE-CZ3 4.23Å; M58-W180 HydrophobicContact SD-CZ2 4.43Å; H65-W180 AromaticContact ND1-NE1 3.3Å; H65-W180 PolarHBondContact ND1-NE1 3.45Å; I66-W180 PolarHBondContact O-N 3.36Å; V67-W180 HydrophobicContact CB-CB 4.14Å; V67-W180 HydrophobicContact CG1-CB 4Å; V67-W180 HydrophobicContact CG2-CB 3.87Å; V67-W180 HydrophobicContact CG2-CG 3.87Å; V68-W180 PolarHBondContact N-O 2.95Å; W180-E217 CarbonylContact C-O 3.59Å; W180-E217 VanDerWaalsContact CA-O 3.31Å; W180-E217 WeakPolarHBondContact CA-O 3.31Å; W180-E217 HydrophobicContact CD2-CB 3.81Å; W180-E217 HydrophobicContact CE3-CB 3.47Å; W180-E217 VanDerWaalsContact CE3-CB 3.47Å; W180-E217 HydrophobicContact CE3-CG 4.5Å; W180-E217 HydrophobicContact CG-CB 4.4Å; W180-E217 HydrophobicContact CH2-CB 4.45Å; W180-E217 HydrophobicContact CZ3-CB 3.82Å; W180-E217 HydrophobicContact CZ3-CG 4.47Å; W180-P219 HydrophobicContact CB-CB 4.19Å; W180-P219 HydrophobicContact CB-CG 4.27Å; W180-P219 HydrophobicContact CE3-CB 4.43Å; W180-L222 HydrophobicContact CH2-CD1 4.41Å; W180-L222 HydrophobicContact CZ3-CD1 4.08Å
181	Y	94.9	Very high	81.1	Confident	1 Å²	1	61.9 Å²	61.9	0%	0.004	34%	0.338	C	S	.	.			trans	-149.6	105.2	-178.8	-175.7	-122.7	0	0	0	110.2	V68 P70 V179 P183 L184 S185 V198 L199 I202 E217	V68-Y181 HydrophobicContact CB-CD2 3.92Å; V68-Y181 HydrophobicContact CB-CG 4.45Å; V68-Y181 HydrophobicContact CG1-CD2 4.03Å; V68-Y181 HydrophobicContact CG1-CE2 4.27Å; P70-Y181 HydrophobicContact CG-CE2 4.02Å; V179-Y181 PolarHBondContact O-N 2.92Å; Y181-P183 VanDerWaalsContact C-CD 3.48Å; Y181-P183 HydrophobicContact CD1-CB 4.4Å; Y181-P183 HydrophobicContact CD1-CG 4.36Å; Y181-P183 HydrophobicContact CE1-CB 3.87Å; Y181-P183 HydrophobicContact CE1-CG 3.8Å; Y181-P183 HydrophobicContact CE2-CG 4.01Å; Y181-L184 HydrophobicContact CD1-CB 4.26Å; Y181-L184 HydrophobicContact CD1-CD1 4Å; Y181-L184 HydrophobicContact CD1-CG 3.88Å; Y181-L184 HydrophobicContact CE1-CD1 4.42Å; Y181-L184 HydrophobicContact CE1-CG 4.21Å; Y181-L184 PolarHBondContact O-N 3.17Å; Y181-L184 VanDerWaalsContact O-N 3.08Å; Y181-S185 PolarHBondContact O-N 3.46Å; Y181-V198 HydrophobicContact CE2-CG1 4.19Å; Y181-L199 HydrophobicContact CE1-CD1 3.94Å; Y181-I202 HydrophobicContact CD1-CB 4.42Å; Y181-I202 HydrophobicContact CD1-CG1 4.42Å; Y181-I202 HydrophobicContact CD1-CG2 4.11Å; Y181-I202 HydrophobicContact CE1-CG1 4.49Å; Y181-E217 PolarHBondContact N-O 3.45Å
182	S	89	Confident	81.2	Confident	16 Å²	16	64.5 Å²	64.5	11%	0.112	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-47.2	-47.5	-172	175.1	0	0	0	0	114.7	L184 S185 R192 N218 D220	S182-L184 PolarHBondContact O-N 3.01Å; S182-S185 WeakPolarHBondContact O-CB 3.16Å; S182-S185 PolarHBondContact O-N 2.65Å; S182-R192 PolarHBondContact OG-NH1 3.48Å; S182-R192 VanDerWaalsContact OG-NH1 3.13Å; S182-N218 VanDerWaalsContact CB-OD1 3.26Å; S182-N218 WeakPolarHBondContact CB-OD1 3.45Å; S182-N218 PolarHBondContact OG-OD1 3.5Å; S182-D220 WeakPolarHBondContact CB-OD2 3.49Å; S182-D220 PolarHBondContact OG-OD2 2.94Å
183	P	86.8	Confident	81.4	Confident	29 Å²	29	62 Å²	62	19%	0.188	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-62.9	-18.3	-177.1	-26	37.4	0	0	0	116.1	Y181 L194 L199	Y181-P183 VanDerWaalsContact C-CD 3.48Å; Y181-P183 HydrophobicContact CD1-CB 4.4Å; Y181-P183 HydrophobicContact CD1-CG 4.36Å; Y181-P183 HydrophobicContact CE1-CB 3.87Å; Y181-P183 HydrophobicContact CE1-CG 3.8Å; Y181-P183 HydrophobicContact CE2-CG 4.01Å; P183-L194 HydrophobicContact CB-CD2 3.75Å; P183-L194 HydrophobicContact CG-CD2 3.49Å; P183-L194 VanDerWaalsContact CG-CD2 3.49Å; P183-L199 HydrophobicContact CB-CD1 4.48Å
184	L	85.1	Confident	82	Confident	54 Å²	54	63.5 Å²	63.5	28%	0.283	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-107.7	6.2	177.7	-64	-178.5	0	0	0	112.7	Y181 S182 L199 I202 V203 F216	Y181-L184 HydrophobicContact CD1-CB 4.26Å; Y181-L184 HydrophobicContact CD1-CD1 4Å; Y181-L184 HydrophobicContact CD1-CG 3.88Å; Y181-L184 HydrophobicContact CE1-CD1 4.42Å; Y181-L184 HydrophobicContact CE1-CG 4.21Å; Y181-L184 PolarHBondContact O-N 3.17Å; Y181-L184 VanDerWaalsContact O-N 3.08Å; S182-L184 PolarHBondContact O-N 3.01Å; L184-L199 HydrophobicContact CD1-CD1 4.47Å; L184-L199 HydrophobicContact CD2-CD1 3.84Å; L184-L199 HydrophobicContact CG-CD1 4.1Å; L184-I202 HydrophobicContact CD1-CB 4.34Å; L184-I202 HydrophobicContact CD1-CG2 3.56Å; L184-V203 HydrophobicContact CD1-CG2 4.04Å; L184-V203 HydrophobicContact CD2-CG2 4.18Å; L184-F216 HydrophobicContact CB-CD1 3.75Å; L184-F216 HydrophobicContact CB-CE1 4.13Å; L184-F216 HydrophobicContact CB-CG 4.12Å; L184-F216 HydrophobicContact CD1-CD1 4.14Å; L184-F216 HydrophobicContact CD1-CE1 3.65Å; L184-F216 HydrophobicContact CD1-CZ 4.1Å; L184-F216 WeakPolarHBondContact O-CB 3.36Å
185	S	78.9	Confident	82.9	Confident	18 Å²	18	57.6 Å²	57.6	13%	0.126	31%	0.308	C	S	.	.			trans	-78.3	143.1	170.7	-173.6	0	0	0	0	110.6	Y181 S182 K187	Y181-S185 PolarHBondContact O-N 3.46Å; S182-S185 WeakPolarHBondContact O-CB 3.16Å; S182-S185 PolarHBondContact O-N 2.65Å; S185-K187 PolarHBondContact O-N 3.35Å
186	S	62.8	Low	83.6	Confident	121 Å²	121	63 Å²	63	85%	0.846	33%	0.331	S	S	*	.	S	Bend	trans	-72.6	-7.1	178.7	53.8	0	0	0	0	114.1
187	K	63.2	Low	83.9	Confident	126 Å²	126	64.3 Å²	64.3	55%	0.548	33%	0.332	S	S	.	.	S	Bend	trans	-111.3	131.9	-170.9	-63.9	177.7	-177	168.1	0	111.6	S185	S185-K187 PolarHBondContact O-N 3.35Å
188	N	61	Low	84.1	Confident	137 Å²	137	64.3 Å²	64.3	73%	0.733	33%	0.332	S	S	*	.			trans	57.4	63.4	164.5	-55.7	-25.4	0	0	0	114.3	V190	N188-V190 PolarHBondContact O-N 3.31Å
189	F	63.9	Low	84.2	Confident	159 Å²	159	66.4 Å²	66.4	70%	0.697	34%	0.343	S	S	*	.			trans	-61	113.7	170.1	-177.3	-96.8	0	0	0	109.6	E191	F189-E191 HydrophobicContact CE1-CG 4.13Å
190	V	71.8	Confident	84.2	Confident	101 Å²	101	72.3 Å²	72.3	61%	0.612	37%	0.369	S	S	*	.			trans	-101.4	130.5	169.7	179.2	0	0	0	0	107.2	N188 R192	N188-V190 PolarHBondContact O-N 3.31Å; V190-R192 PolarHBondContact O-N 2.73Å; V190-R192 VanDerWaalsContact O-N 3.09Å
191	E	80.3	Confident	84.3	Confident	180 Å²	180	74.2 Å²	74.2	84%	0.841	38%	0.377	S	S	*	.			trans	-58.6	115.6	174.4	-72.2	-175.7	-177.2	0	0	110.1	F189	F189-E191 HydrophobicContact CE1-CG 4.13Å
192	R	84.1	Confident	84.3	Confident	65 Å²	65	74.2 Å²	74.2	25%	0.245	38%	0.377	C	S	.	.			trans	-149.4	152	-178.6	64.2	-172.3	-109.8	179.4	0.7	111.1	S182 V190 L194 D220	S182-R192 PolarHBondContact OG-NH1 3.48Å; S182-R192 VanDerWaalsContact OG-NH1 3.13Å; V190-R192 PolarHBondContact O-N 2.73Å; V190-R192 VanDerWaalsContact O-N 3.09Å; R192-L194 HydrophobicContact CG-CD2 4.16Å; R192-D220 IonicContact NH1-OD1 3.6Å; R192-D220 IonicContact NH1-OD2 3.87Å; R192-D220 PolarHBondContact NH1-OD2 3.48Å
193	P	87.1	Confident	84.6	Confident	90 Å²	90	75.3 Å²	75.3	58%	0.584	38%	0.383	S	S	*	.			trans	-56.7	140	165.4	-22.3	33.8	0	0	0	110.8
194	L	90.4	Very high	85	Confident	48 Å²	48	77.1 Å²	77.1	25%	0.251	39%	0.389	S	S	.	.			trans	-112.6	136.4	175.7	-62.1	177.4	0	0	0	109.2	P183 R192 K196 L199	P183-L194 HydrophobicContact CB-CD2 3.75Å; P183-L194 HydrophobicContact CG-CD2 3.49Å; P183-L194 VanDerWaalsContact CG-CD2 3.49Å; R192-L194 HydrophobicContact CG-CD2 4.16Å; L194-K196 PolarHBondContact O-N 3.18Å; L194-L199 HydrophobicContact CD1-CD2 4.08Å
195	N	94.7	Very high	85.4	Confident	6 Å²	6	74.7 Å²	74.7	3%	0.032	38%	0.376	C	S	.	.			trans	-74.9	104.9	164.6	-172.9	-48.8	0	0	0	108.3	P70 A71 F197 V198 L199	P70-N195 HydrophobicContact CB-CB 3.94Å; A71-N195 PolarHBondContact O-ND2 2.88Å; N195-F197 VanDerWaalsContact C-N 3.32Å; N195-F197 PolarHBondContact O-N 3.45Å; N195-F197 WeakPolarHBondContact OD1-CB 3.45Å; N195-F197 PolarHBondContact OD1-N 3.49Å; N195-V198 HydrophobicContact CB-CB 4.16Å; N195-V198 HydrophobicContact CB-CG2 4.09Å; N195-V198 PolarHBondContact O-N 3.3Å; N195-V198 WeakPolarHBondContact OD1-CG2 3.48Å; N195-V198 PolarHBondContact OD1-N 2.81Å; N195-L199 WeakPolarHBondContact O-CB 3.39Å; N195-L199 PolarHBondContact O-N 2.98Å
196	K	94.8	Very high	86.1	Confident	128 Å²	128	74.7 Å²	74.7	56%	0.557	38%	0.376	S	S	*	.	H	α-helix	trans	-68.7	-34.4	-171.1	-64	168.3	-167.2	144.8	0	111.6	E73 L194 K200	E73-K196 VanDerWaalsContact OE1-CD 3.31Å; E73-K196 WeakPolarHBondContact OE1-CD 3.02Å; E73-K196 WeakPolarHBondContact OE1-CE 3.35Å; E73-K196 IonicContact OE1-NZ 2.65Å; E73-K196 PolarHBondContact OE1-NZ 2.91Å; E73-K196 WeakPolarHBondContact OE2-CB 3.4Å; E73-K196 PolarHBondContact OE2-N 3.42Å; L194-K196 PolarHBondContact O-N 3.18Å; K196-K200 WeakPolarHBondContact O-CB 3.32Å; K196-K200 PolarHBondContact O-N 3.18Å
197	F	95.5	Very high	87.5	Confident	71 Å²	71	78.4 Å²	78.4	31%	0.311	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-52.5	174.1	172.4	-96.1	0	0	0	110.1	L160 F163 N195 K200 K201	L160-F197 HydrophobicContact CD1-CD1 4.3Å; L160-F197 HydrophobicContact CD1-CE1 3.81Å; L160-F197 HydrophobicContact CD2-CD1 4.42Å; L160-F197 HydrophobicContact CD2-CE1 4.35Å; L160-F197 HydrophobicContact CG-CD1 4.37Å; L160-F197 HydrophobicContact CG-CE1 3.84Å; L160-F197 HydrophobicContact CG-CZ 4.42Å; F163-F197 HydrophobicContact CD1-CE1 4.25Å; N195-F197 VanDerWaalsContact C-N 3.32Å; N195-F197 PolarHBondContact O-N 3.45Å; N195-F197 WeakPolarHBondContact OD1-CB 3.45Å; N195-F197 PolarHBondContact OD1-N 3.49Å; F197-K200 PolarHBondContact O-N 3.24Å; F197-K201 HydrophobicContact CD1-CG 4.49Å; F197-K201 HydrophobicContact CD2-CG 4.44Å; F197-K201 HydrophobicContact CE1-CG 4.14Å; F197-K201 HydrophobicContact CE2-CG 4.09Å; F197-K201 HydrophobicContact CZ-CG 3.93Å; F197-K201 WeakPolarHBondContact O-CG 3.32Å; F197-K201 PolarHBondContact O-N 2.91Å
198	V	96.5	Very high	88.8	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-48.6	-179.1	179.9	0	0	0	0	111.1	V68 P70 I103 F163 Y181 N195 K200 K201 I202	V68-V198 HydrophobicContact CG1-CG1 3.72Å; P70-V198 HydrophobicContact CB-CB 4.23Å; P70-V198 HydrophobicContact CB-CG1 4.19Å; P70-V198 HydrophobicContact CB-CG2 3.98Å; I103-V198 HydrophobicContact CD1-CG1 4.48Å; I103-V198 HydrophobicContact CD1-CG2 3.63Å; I103-V198 HydrophobicContact CG1-CG2 3.63Å; F163-V198 HydrophobicContact CE1-CG1 4.45Å; Y181-V198 HydrophobicContact CE2-CG1 4.19Å; N195-V198 HydrophobicContact CB-CB 4.16Å; N195-V198 HydrophobicContact CB-CG2 4.09Å; N195-V198 PolarHBondContact O-N 3.3Å; N195-V198 WeakPolarHBondContact OD1-CG2 3.48Å; N195-V198 PolarHBondContact OD1-N 2.81Å; V198-K200 VanDerWaalsContact C-N 3.31Å; V198-K200 PolarHBondContact O-N 3.44Å; V198-K201 PolarHBondContact O-N 3.12Å; V198-K201 VanDerWaalsContact O-N 3.1Å; V198-I202 HydrophobicContact CG1-CG1 4.17Å; V198-I202 WeakPolarHBondContact O-CG1 3.49Å; V198-I202 PolarHBondContact O-N 3.16Å
199	L	95.5	Very high	90.2	Very high	43 Å²	43	71 Å²	71	23%	0.225	33%	0.334	C	S	.	.	H	α-helix	trans	-54.6	-48.8	177.5	176.1	63.4	0	0	0	111.3	Y181 P183 L184 L194 N195 K201 I202 V203	Y181-L199 HydrophobicContact CE1-CD1 3.94Å; P183-L199 HydrophobicContact CB-CD1 4.48Å; L184-L199 HydrophobicContact CD1-CD1 4.47Å; L184-L199 HydrophobicContact CD2-CD1 3.84Å; L184-L199 HydrophobicContact CG-CD1 4.1Å; L194-L199 HydrophobicContact CD1-CD2 4.08Å; N195-L199 WeakPolarHBondContact O-CB 3.39Å; N195-L199 PolarHBondContact O-N 2.98Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.2Å; L199-I202 PolarHBondContact O-N 3.3Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 VanDerWaalsContact O-CG2 3.32Å; L199-V203 WeakPolarHBondContact O-CG2 3.38Å; L199-V203 PolarHBondContact O-N 3.04Å
200	K	96.6	Very high	91.2	Very high	124 Å²	124	67.9 Å²	67.9	54%	0.539	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-46.1	177.4	177.2	177.1	173.2	177.5	0	111.3	K196 F197 V198 V203 E204	K196-K200 WeakPolarHBondContact O-CB 3.32Å; K196-K200 PolarHBondContact O-N 3.18Å; F197-K200 PolarHBondContact O-N 3.24Å; V198-K200 VanDerWaalsContact C-N 3.31Å; V198-K200 PolarHBondContact O-N 3.44Å; K200-V203 PolarHBondContact O-N 3.04Å; K200-E204 WeakPolarHBondContact CE-OE1 3.46Å; K200-E204 HydrophobicContact CG-CG 4.42Å; K200-E204 IonicContact NZ-OE1 2.78Å; K200-E204 WeakPolarHBondContact O-CB 3.49Å; K200-E204 VanDerWaalsContact O-CG 3.31Å; K200-E204 WeakPolarHBondContact O-CG 3.37Å; K200-E204 PolarHBondContact O-N 3.26Å
201	K	96.9	Very high	91.6	Very high	42 Å²	42	69.6 Å²	69.6	18%	0.183	33%	0.331	C	S	.	.	H	α-helix	trans	-66.7	-37.9	-179.3	-66.1	-42.1	-175.7	168.2	0	113.3	F163 S164 L167 F197 V198 L199 E204 F205	F163-K201 HydrophobicContact CD1-CB 4.01Å; F163-K201 HydrophobicContact CD1-CG 4.3Å; F163-K201 HydrophobicContact CE1-CB 3.91Å; S164-K201 WeakPolarHBondContact OG-CD 3.32Å; S164-K201 WeakPolarHBondContact OG-CE 3.49Å; S164-K201 PolarHBondContact OG-NZ 2.7Å; L167-K201 HydrophobicContact CD1-CB 4.4Å; F197-K201 HydrophobicContact CD1-CG 4.49Å; F197-K201 HydrophobicContact CD2-CG 4.44Å; F197-K201 HydrophobicContact CE1-CG 4.14Å; F197-K201 HydrophobicContact CE2-CG 4.09Å; F197-K201 HydrophobicContact CZ-CG 3.93Å; F197-K201 WeakPolarHBondContact O-CG 3.32Å; F197-K201 PolarHBondContact O-N 2.91Å; V198-K201 PolarHBondContact O-N 3.12Å; V198-K201 VanDerWaalsContact O-N 3.1Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.2Å; K201-E204 WeakPolarHBondContact CD-OE2 3.42Å; K201-E204 IonicContact NZ-OE2 2.64Å; K201-E204 PolarHBondContact NZ-OE2 2.9Å; K201-E204 PolarHBondContact O-N 3.23Å; K201-F205 VanDerWaalsContact O-CB 3.27Å; K201-F205 WeakPolarHBondContact O-CB 3.36Å; K201-F205 PolarHBondContact O-N 3.43Å
202	I	95.7	Very high	91.7	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-68.7	-38.5	175.2	-61.4	-63.2	0	0	0	111.5	V68 F163 L167 V179 Y181 L184 V198 L199 F205 S206 F216	V68-I202 HydrophobicContact CG1-CD1 4.35Å; V68-I202 HydrophobicContact CG2-CD1 3.83Å; F163-I202 HydrophobicContact CE1-CD1 4.36Å; F163-I202 HydrophobicContact CZ-CD1 4Å; L167-I202 HydrophobicContact CD1-CD1 3.81Å; L167-I202 HydrophobicContact CD2-CD1 4.47Å; V179-I202 HydrophobicContact CG1-CG2 4.19Å; Y181-I202 HydrophobicContact CD1-CB 4.42Å; Y181-I202 HydrophobicContact CD1-CG1 4.42Å; Y181-I202 HydrophobicContact CD1-CG2 4.11Å; Y181-I202 HydrophobicContact CE1-CG1 4.49Å; L184-I202 HydrophobicContact CD1-CB 4.34Å; L184-I202 HydrophobicContact CD1-CG2 3.56Å; V198-I202 HydrophobicContact CG1-CG1 4.17Å; V198-I202 WeakPolarHBondContact O-CG1 3.49Å; V198-I202 PolarHBondContact O-N 3.16Å; L199-I202 PolarHBondContact O-N 3.3Å; I202-F205 PolarHBondContact O-N 2.7Å; I202-S206 WeakPolarHBondContact O-CB 3.22Å; I202-S206 PolarHBondContact O-N 2.94Å; I202-F216 HydrophobicContact CG2-CE1 3.9Å
203	V	94.7	Very high	92	Very high	39 Å²	39	70.7 Å²	70.7	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-68.4	-38.1	174.7	172.2	0	0	0	0	111.8	L184 L199 K200 S206 R207	L184-V203 HydrophobicContact CD1-CG2 4.04Å; L184-V203 HydrophobicContact CD2-CG2 4.18Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 VanDerWaalsContact O-CG2 3.32Å; L199-V203 WeakPolarHBondContact O-CG2 3.38Å; L199-V203 PolarHBondContact O-N 3.04Å; K200-V203 PolarHBondContact O-N 3.04Å; V203-S206 PolarHBondContact O-OG 3.38Å; V203-R207 WeakPolarHBondContact O-CG 3.44Å; V203-R207 PolarHBondContact O-N 3.25Å
204	E	95.3	Very high	92.3	Very high	67 Å²	67	67.3 Å²	67.3	31%	0.313	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-44.8	173.5	-76.2	172.1	174.2	0	0	111.1	K200 K201 R207 Q208	K200-E204 WeakPolarHBondContact CE-OE1 3.46Å; K200-E204 HydrophobicContact CG-CG 4.42Å; K200-E204 IonicContact NZ-OE1 2.78Å; K200-E204 WeakPolarHBondContact O-CB 3.49Å; K200-E204 VanDerWaalsContact O-CG 3.31Å; K200-E204 WeakPolarHBondContact O-CG 3.37Å; K200-E204 PolarHBondContact O-N 3.26Å; K201-E204 WeakPolarHBondContact CD-OE2 3.42Å; K201-E204 IonicContact NZ-OE2 2.64Å; K201-E204 PolarHBondContact NZ-OE2 2.9Å; K201-E204 PolarHBondContact O-N 3.23Å; E204-R207 PolarHBondContact O-N 2.92Å; E204-Q208 WeakPolarHBondContact O-CG 3.46Å; E204-Q208 PolarHBondContact O-N 3.36Å
205	F	94.5	Very high	92.4	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.009	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-44.8	175.1	169.8	-112.6	0	0	0	112.1	I66 L167 Q170 A171 I177 V179 K201 I202 R207 Q208 I209 I214	I66-F205 HydrophobicContact CD1-CE1 3.97Å; I66-F205 HydrophobicContact CD1-CZ 3.82Å; L167-F205 HydrophobicContact CB-CB 4.21Å; L167-F205 HydrophobicContact CB-CD2 3.75Å; L167-F205 HydrophobicContact CB-CE2 4.3Å; L167-F205 HydrophobicContact CB-CG 4.06Å; L167-F205 HydrophobicContact CD1-CB 3.99Å; L167-F205 HydrophobicContact CD1-CG 4.29Å; L167-F205 HydrophobicContact CD2-CD1 4.4Å; L167-F205 HydrophobicContact CD2-CD2 4.48Å; L167-F205 HydrophobicContact CD2-CG 4.37Å; L167-F205 HydrophobicContact CG-CG 4.48Å; L167-F205 WeakPolarHBondContact O-CD2 3.46Å; L167-F205 WeakPolarHBondContact O-CE2 3.3Å; Q170-F205 HydrophobicContact CB-CE2 4.05Å; Q170-F205 HydrophobicContact CB-CZ 4.23Å; A171-F205 HydrophobicContact CB-CD2 3.99Å; A171-F205 HydrophobicContact CB-CE2 3.79Å; I177-F205 HydrophobicContact CD1-CZ 4.19Å; I177-F205 HydrophobicContact CG2-CE1 4.49Å; I177-F205 HydrophobicContact CG2-CZ 4.43Å; V179-F205 HydrophobicContact CG2-CD1 4.47Å; V179-F205 HydrophobicContact CG2-CE1 3.89Å; K201-F205 VanDerWaalsContact O-CB 3.27Å; K201-F205 WeakPolarHBondContact O-CB 3.36Å; K201-F205 PolarHBondContact O-N 3.43Å; I202-F205 PolarHBondContact O-N 2.7Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 2.96Å; F205-Q208 WeakPolarHBondContact O-CB 3.48Å; F205-Q208 PolarHBondContact O-N 3.19Å; F205-Q208 VanDerWaalsContact O-N 3.1Å; F205-I209 HydrophobicContact CD1-CD1 4.15Å; F205-I209 HydrophobicContact CD2-CD1 4.01Å; F205-I209 HydrophobicContact CE1-CD1 3.63Å; F205-I209 HydrophobicContact CE2-CD1 3.46Å; F205-I209 VanDerWaalsContact CE2-CD1 3.46Å; F205-I209 HydrophobicContact CG-CD1 4.34Å; F205-I209 HydrophobicContact CZ-CD1 3.27Å; F205-I214 HydrophobicContact CD1-CD1 4.43Å; F205-I214 HydrophobicContact CE1-CD1 4.22Å
206	S	92.7	Very high	92.3	Very high	19 Å²	19	68.4 Å²	68.4	13%	0.133	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-36.3	-178.2	76.1	0	0	0	0	113	I202 V203 Q208 I209	I202-S206 WeakPolarHBondContact O-CB 3.22Å; I202-S206 PolarHBondContact O-N 2.94Å; V203-S206 PolarHBondContact O-OG 3.38Å; S206-Q208 VanDerWaalsContact C-N 3.25Å; S206-Q208 PolarHBondContact O-N 3.35Å; S206-I209 PolarHBondContact O-N 3.34Å; S206-I209 VanDerWaalsContact O-N 3.14Å; S206-I209 VanDerWaalsContact O-O 3.08Å
207	R	92.4	Very high	92.3	Very high	199 Å²	199	65.1 Å²	65.1	75%	0.751	30%	0.302	S	S	*	.	H	α-helix	trans	-67.9	-21.5	176.2	-72.7	173.8	176.6	175.5	-0	114	V203 E204 F205 I209	V203-R207 WeakPolarHBondContact O-CG 3.44Å; V203-R207 PolarHBondContact O-N 3.25Å; E204-R207 PolarHBondContact O-N 2.92Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 2.96Å; R207-I209 VanDerWaalsContact C-N 3.27Å
208	Q	91.3	Very high	92.2	Very high	100 Å²	100	62.7 Å²	62.7	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-78.9	-15.4	175.1	-64.1	177.9	57.2	0	0	112	D168 A171 E204 F205 S206	D168-Q208 PolarHBondContact OD1-NE2 2.84Å; A171-Q208 HydrophobicContact CB-CB 4.13Å; E204-Q208 WeakPolarHBondContact O-CG 3.46Å; E204-Q208 PolarHBondContact O-N 3.36Å; F205-Q208 WeakPolarHBondContact O-CB 3.48Å; F205-Q208 PolarHBondContact O-N 3.19Å; F205-Q208 VanDerWaalsContact O-N 3.1Å; S206-Q208 VanDerWaalsContact C-N 3.25Å; S206-Q208 PolarHBondContact O-N 3.35Å
209	I	89.8	Confident	92.1	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.031	29%	0.294	C	S	.	.	S	Bend	trans	-105.1	143.1	-176.7	-63.3	161	0	0	0	108.8	A171 I177 F205 S206 R207 D211 R213 I214	A171-I209 HydrophobicContact CB-CD1 4.39Å; A171-I209 HydrophobicContact CB-CG1 4.1Å; I177-I209 HydrophobicContact CD1-CD1 3.62Å; I177-I209 HydrophobicContact CD1-CG1 4.4Å; F205-I209 HydrophobicContact CD1-CD1 4.15Å; F205-I209 HydrophobicContact CD2-CD1 4.01Å; F205-I209 HydrophobicContact CE1-CD1 3.63Å; F205-I209 HydrophobicContact CE2-CD1 3.46Å; F205-I209 VanDerWaalsContact CE2-CD1 3.46Å; F205-I209 HydrophobicContact CG-CD1 4.34Å; F205-I209 HydrophobicContact CZ-CD1 3.27Å; S206-I209 PolarHBondContact O-N 3.34Å; S206-I209 VanDerWaalsContact O-N 3.14Å; S206-I209 VanDerWaalsContact O-O 3.08Å; R207-I209 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 3.38Å; I209-R213 HydrophobicContact CG2-CB 3.89Å; I209-I214 HydrophobicContact CB-CB 4.34Å; I209-I214 HydrophobicContact CB-CG2 4.36Å; I209-I214 HydrophobicContact CD1-CD1 3.99Å; I209-I214 HydrophobicContact CG2-CB 3.78Å; I209-I214 HydrophobicContact CG2-CG2 4.06Å
210	N	84	Confident	92	Very high	94 Å²	94	62.1 Å²	62.1	50%	0.503	29%	0.29	S	S	.	.			trans	-63.6	131.7	174.3	-174.5	-55.9	0	0	0	109.6	K212 R213 I214	N210-K212 PolarHBondContact O-N 2.92Å; N210-K212 WeakPolarHBondContact OD1-CB 3.36Å; N210-K212 PolarHBondContact OD1-N 3.12Å; N210-R213 HydrophobicContact CB-CG 4.38Å; N210-R213 WeakPolarHBondContact O-CA 3.48Å; N210-R213 WeakPolarHBondContact O-CB 3.48Å; N210-R213 PolarHBondContact O-N 3.09Å; N210-I214 PolarHBondContact O-N 3.37Å
211	D	80.6	Confident	91.8	Very high	137 Å²	137	61.9 Å²	61.9	73%	0.733	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.7	-178	-67.9	-20.3	0	0	0	114	I209 R213	I209-D211 PolarHBondContact O-N 3.38Å; D211-R213 VanDerWaalsContact C-N 3.26Å; D211-R213 PolarHBondContact O-N 3.12Å
212	K	83.5	Confident	91.8	Very high	201 Å²	201	60.3 Å²	60.3	87%	0.874	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-16	175.8	-64.2	-175.4	178.4	-178.7	0	113.8	N210	N210-K212 PolarHBondContact O-N 2.92Å; N210-K212 WeakPolarHBondContact OD1-CB 3.36Å; N210-K212 PolarHBondContact OD1-N 3.12Å
213	R	89.7	Confident	91.8	Very high	67 Å²	67	60.3 Å²	60.3	25%	0.253	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-11.2	-178.8	-65.4	-165.5	-60.2	111.2	-6.4	113.2	S173 Q175 S176 I177 I209 N210 D211	S173-R213 PolarHBondContact O-NH1 3.03Å; Q175-R213 PolarHBondContact O-NH1 3.28Å; S176-R213 CarbonylContact C-O 3.54Å; S176-R213 VanDerWaalsContact CA-O 3.29Å; S176-R213 WeakPolarHBondContact CA-O 3.2Å; I177-R213 PolarHBondContact N-O 3.32Å; I209-R213 HydrophobicContact CG2-CB 3.89Å; N210-R213 HydrophobicContact CB-CG 4.38Å; N210-R213 WeakPolarHBondContact O-CA 3.48Å; N210-R213 WeakPolarHBondContact O-CB 3.48Å; N210-R213 PolarHBondContact O-N 3.09Å; D211-R213 VanDerWaalsContact C-N 3.26Å; D211-R213 PolarHBondContact O-N 3.12Å
214	I	92.8	Very high	91.9	Very high	19 Å²	19	62.6 Å²	62.6	10%	0.097	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.9	179.3	-171.5	165.6	0	0	0	111.6	I177 V179 F205 I209 N210 F216	I177-I214 CarbonylContact O-C 3.54Å; I177-I214 VanDerWaalsContact O-CA 3.3Å; I177-I214 WeakPolarHBondContact O-CA 3.43Å; V179-I214 HydrophobicContact CG2-CD1 3.98Å; V179-I214 HydrophobicContact CG2-CG1 4.35Å; F205-I214 HydrophobicContact CD1-CD1 4.43Å; F205-I214 HydrophobicContact CE1-CD1 4.22Å; I209-I214 HydrophobicContact CB-CB 4.34Å; I209-I214 HydrophobicContact CB-CG2 4.36Å; I209-I214 HydrophobicContact CD1-CD1 3.99Å; I209-I214 HydrophobicContact CG2-CB 3.78Å; I209-I214 HydrophobicContact CG2-CG2 4.06Å; N210-I214 PolarHBondContact O-N 3.37Å; I214-F216 HydrophobicContact CD1-CE1 4.49Å; I214-F216 HydrophobicContact CD1-CE2 4.13Å; I214-F216 HydrophobicContact CD1-CZ 3.77Å; I214-F216 HydrophobicContact CG1-CE2 4.08Å; I214-F216 HydrophobicContact CG1-CZ 4.17Å
215	S	92.6	Very high	91.9	Very high	26 Å²	26	61.6 Å²	61.6	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.7	170.7	61.2	0	0	0	0	111.1	N60 I177 C178 V179	N60-S215 PolarHBondContact ND2-OG 3.29Å; I177-S215 PolarHBondContact O-N 3.35Å; C178-S215 WeakPolarHBondContact CA-O 3.29Å; C178-S215 WeakPolarHBondContact CB-OG 3.46Å; V179-S215 PolarHBondContact N-O 2.87Å
216	F	93.3	Very high	92.1	Very high	52 Å²	52	62.4 Å²	62.4	23%	0.228	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.1	179.1	-67.9	-86	0	0	0	111.6	V179 L184 I202 I214	V179-F216 HydrophobicContact CB-CD1 3.81Å; V179-F216 HydrophobicContact CB-CE1 3.78Å; V179-F216 HydrophobicContact CG1-CD1 4.18Å; V179-F216 HydrophobicContact CG1-CE1 4.03Å; V179-F216 HydrophobicContact CG2-CE1 4.28Å; V179-F216 VanDerWaalsContact O-CA 3.29Å; V179-F216 WeakPolarHBondContact O-CA 3.46Å; L184-F216 HydrophobicContact CB-CD1 3.75Å; L184-F216 HydrophobicContact CB-CE1 4.13Å; L184-F216 HydrophobicContact CB-CG 4.12Å; L184-F216 HydrophobicContact CD1-CD1 4.14Å; L184-F216 HydrophobicContact CD1-CE1 3.65Å; L184-F216 HydrophobicContact CD1-CZ 4.1Å; L184-F216 WeakPolarHBondContact O-CB 3.36Å; I202-F216 HydrophobicContact CG2-CE1 3.9Å; I214-F216 HydrophobicContact CD1-CE1 4.49Å; I214-F216 HydrophobicContact CD1-CE2 4.13Å; I214-F216 HydrophobicContact CD1-CZ 3.77Å; I214-F216 HydrophobicContact CG1-CE2 4.08Å; I214-F216 HydrophobicContact CG1-CZ 4.17Å
217	E	93.7	Very high	92.2	Very high	58 Å²	58	64.9 Å²	64.9	27%	0.271	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158.5	176.8	-75.1	-66	171.8	0	0	112	M58 V179 W180 Y181 P219	M58-E217 HydrophobicContact CE-CB 4.49Å; M58-E217 HydrophobicContact CE-CG 3.7Å; V179-E217 PolarHBondContact O-N 2.97Å; W180-E217 CarbonylContact C-O 3.59Å; W180-E217 VanDerWaalsContact CA-O 3.31Å; W180-E217 WeakPolarHBondContact CA-O 3.31Å; W180-E217 HydrophobicContact CD2-CB 3.81Å; W180-E217 HydrophobicContact CE3-CB 3.47Å; W180-E217 VanDerWaalsContact CE3-CB 3.47Å; W180-E217 HydrophobicContact CE3-CG 4.5Å; W180-E217 HydrophobicContact CG-CB 4.4Å; W180-E217 HydrophobicContact CH2-CB 4.45Å; W180-E217 HydrophobicContact CZ3-CB 3.82Å; W180-E217 HydrophobicContact CZ3-CG 4.47Å; Y181-E217 PolarHBondContact N-O 3.45Å; E217-P219 WeakPolarHBondContact O-CD 3.41Å
218	N	93.4	Very high	92.4	Very high	21 Å²	21	61.3 Å²	61.3	11%	0.112	30%	0.297	C	S	.	.			trans	-96.5	114.4	177.4	-173.2	-8.3	0	0	0	110.3	S182 D220 Y221	S182-N218 VanDerWaalsContact CB-OD1 3.26Å; S182-N218 WeakPolarHBondContact CB-OD1 3.45Å; S182-N218 PolarHBondContact OG-OD1 3.5Å; N218-D220 VanDerWaalsContact C-N 3.33Å; N218-D220 WeakPolarHBondContact OD1-CB 3.45Å; N218-D220 PolarHBondContact OD1-N 3.38Å; N218-D220 PolarHBondContact OD1-OD2 2.93Å; N218-Y221 WeakPolarHBondContact O-CD1 3.49Å; N218-Y221 WeakPolarHBondContact O-CE1 3.36Å
219	P	94.3	Very high	92.5	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.019	31%	0.307	C	S	.	.			trans	-78.6	-13.1	176.2	32	-33.9	0	0	0	113.9	F47 V67 W180 E217 Y221 L222 I223	F47-P219 HydrophobicContact CE2-CB 4.3Å; F47-P219 HydrophobicContact CZ-CB 3.98Å; V67-P219 HydrophobicContact CG1-CB 4.31Å; W180-P219 HydrophobicContact CB-CB 4.19Å; W180-P219 HydrophobicContact CB-CG 4.27Å; W180-P219 HydrophobicContact CE3-CB 4.43Å; E217-P219 WeakPolarHBondContact O-CD 3.41Å; P219-Y221 PolarHBondContact O-N 3.28Å; P219-L222 WeakPolarHBondContact O-CB 3.44Å; P219-L222 PolarHBondContact O-N 2.9Å; P219-I223 HydrophobicContact CB-CD1 4.3Å; P219-I223 WeakPolarHBondContact O-CG1 3.42Å; P219-I223 PolarHBondContact O-N 3.46Å
220	D	93.5	Very high	92.8	Very high	28 Å²	28	66.7 Å²	66.7	15%	0.15	32%	0.324	C	S	.	.	H	α-helix	trans	-59.2	-42.4	-166.9	-67.6	-16.7	0	0	0	112.1	N90 S182 R192 N218 L222 I223 D224	N90-D220 PolarHBondContact ND2-OD1 3.28Å; S182-D220 WeakPolarHBondContact CB-OD2 3.49Å; S182-D220 PolarHBondContact OG-OD2 2.94Å; R192-D220 IonicContact NH1-OD1 3.6Å; R192-D220 IonicContact NH1-OD2 3.87Å; R192-D220 PolarHBondContact NH1-OD2 3.48Å; N218-D220 VanDerWaalsContact C-N 3.33Å; N218-D220 WeakPolarHBondContact OD1-CB 3.45Å; N218-D220 PolarHBondContact OD1-N 3.38Å; N218-D220 PolarHBondContact OD1-OD2 2.93Å; D220-L222 PolarHBondContact O-N 2.98Å; D220-I223 CarbonylContact O-C 3.53Å; D220-I223 WeakPolarHBondContact O-CA 3.09Å; D220-I223 WeakPolarHBondContact O-CB 3.43Å; D220-I223 PolarHBondContact O-N 3.18Å; D220-D224 VanDerWaalsContact O-CG 3.23Å; D220-D224 PolarHBondContact O-N 3.46Å
221	Y	93	Very high	93.4	Very high	118 Å²	118	63.8 Å²	63.8	46%	0.463	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-29.4	179.6	78.5	-84.8	0	0	0	113.3	C54 N218 P219 S225	C54-Y221 PolarHBondContact SG-OH 3.2Å; N218-Y221 WeakPolarHBondContact O-CD1 3.49Å; N218-Y221 WeakPolarHBondContact O-CE1 3.36Å; P219-Y221 PolarHBondContact O-N 3.28Å; Y221-S225 WeakPolarHBondContact O-CB 3.15Å; Y221-S225 PolarHBondContact O-N 3.04Å; Y221-S225 VanDerWaalsContact O-N 3.11Å
222	L	96.5	Very high	94.1	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-72.9	-40.9	174.3	-61.5	179.2	0	0	0	110.6	F47 K50 V51 W180 P219 D220 S225 I226	F47-L222 HydrophobicContact CD2-CB 4.34Å; F47-L222 HydrophobicContact CE2-CB 4.05Å; K50-L222 HydrophobicContact CB-CD2 4.25Å; V51-L222 HydrophobicContact CB-CD1 4.48Å; V51-L222 HydrophobicContact CG2-CD1 3.78Å; W180-L222 HydrophobicContact CH2-CD1 4.41Å; W180-L222 HydrophobicContact CZ3-CD1 4.08Å; P219-L222 WeakPolarHBondContact O-CB 3.44Å; P219-L222 PolarHBondContact O-N 2.9Å; D220-L222 PolarHBondContact O-N 2.98Å; L222-S225 PolarHBondContact O-N 3.17Å; L222-S225 PolarHBondContact O-OG 3.4Å; L222-I226 PolarHBondContact O-N 3.19Å
223	I	96.9	Very high	94.7	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-42.1	176.2	-56.2	168.3	0	0	0	110.3	F47 I69 N90 F94 P219 D220 S225 I226 R227	F47-I223 HydrophobicContact CD2-CG1 3.85Å; F47-I223 HydrophobicContact CE2-CD1 4.16Å; F47-I223 HydrophobicContact CE2-CG1 3.4Å; F47-I223 VanDerWaalsContact CE2-CG1 3.4Å; F47-I223 HydrophobicContact CZ-CD1 4.28Å; F47-I223 HydrophobicContact CZ-CG1 4Å; I69-I223 HydrophobicContact CD1-CD1 4Å; N90-I223 HydrophobicContact CB-CD1 4.14Å; N90-I223 HydrophobicContact CB-CG2 4.22Å; N90-I223 VanDerWaalsContact OD1-CG2 3.28Å; N90-I223 WeakPolarHBondContact OD1-CG2 3.41Å; F94-I223 HydrophobicContact CE2-CD1 4.07Å; F94-I223 HydrophobicContact CE2-CG1 3.95Å; F94-I223 HydrophobicContact CE2-CG2 3.88Å; F94-I223 HydrophobicContact CZ-CG1 4.12Å; F94-I223 HydrophobicContact CZ-CG2 4.07Å; P219-I223 HydrophobicContact CB-CD1 4.3Å; P219-I223 WeakPolarHBondContact O-CG1 3.42Å; P219-I223 PolarHBondContact O-N 3.46Å; D220-I223 CarbonylContact O-C 3.53Å; D220-I223 WeakPolarHBondContact O-CA 3.09Å; D220-I223 WeakPolarHBondContact O-CB 3.43Å; D220-I223 PolarHBondContact O-N 3.18Å; I223-S225 VanDerWaalsContact C-N 3.3Å; I223-S225 PolarHBondContact O-N 3.42Å; I223-I226 WeakPolarHBondContact O-CG1 3.2Å; I223-I226 PolarHBondContact O-N 3.36Å; I223-R227 HydrophobicContact CG2-CG 4.26Å; I223-R227 WeakPolarHBondContact O-CB 3.39Å; I223-R227 VanDerWaalsContact O-CG 3.27Å; I223-R227 WeakPolarHBondContact O-CG 3.32Å; I223-R227 PolarHBondContact O-N 2.9Å
224	D	95.3	Very high	95.1	Very high	87 Å²	87	52.9 Å²	52.9	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-40.4	176.4	-66	-22.6	0	0	0	110.9	D220 I226 R227 L228	D220-D224 VanDerWaalsContact O-CG 3.23Å; D220-D224 PolarHBondContact O-N 3.46Å; D224-I226 VanDerWaalsContact C-N 3.3Å; D224-I226 PolarHBondContact O-N 3.32Å; D224-R227 CarbonylContact O-C 3.57Å; D224-R227 PolarHBondContact O-N 2.92Å; D224-L228 PolarHBondContact O-N 2.88Å
225	S	96.3	Very high	95.3	Very high	46 Å²	46	55.1 Å²	55.1	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-34.1	179	81.5	0	0	0	0	113.6	K50 Y221 L222 I223	K50-S225 WeakPolarHBondContact CD-OG 3.35Å; K50-S225 VanDerWaalsContact CE-OG 3.29Å; K50-S225 WeakPolarHBondContact CE-OG 3.35Å; K50-S225 PolarHBondContact NZ-OG 3.31Å; Y221-S225 WeakPolarHBondContact O-CB 3.15Å; Y221-S225 PolarHBondContact O-N 3.04Å; Y221-S225 VanDerWaalsContact O-N 3.11Å; L222-S225 PolarHBondContact O-N 3.17Å; L222-S225 PolarHBondContact O-OG 3.4Å; I223-S225 VanDerWaalsContact C-N 3.3Å; I223-S225 PolarHBondContact O-N 3.42Å
226	I	97.6	Very high	95.5	Very high	18 Å²	18	58.9 Å²	58.9	9%	0.092	29%	0.289	C	S	.	.	H	α-helix	trans	-82.8	-29.3	176.9	62.8	175.1	0	0	0	111.9	I46 F47 K50 Y93 F94 L222 I223 D224 L228	I46-I226 HydrophobicContact CG2-CG2 3.61Å; F47-I226 HydrophobicContact CB-CD1 3.9Å; F47-I226 HydrophobicContact CD2-CD1 4.46Å; K50-I226 HydrophobicContact CD-CG2 3.55Å; Y93-I226 HydrophobicContact CE1-CD1 3.7Å; Y93-I226 HydrophobicContact CE1-CG1 4.06Å; F94-I226 HydrophobicContact CE1-CD1 3.64Å; F94-I226 HydrophobicContact CZ-CD1 3.58Å; L222-I226 PolarHBondContact O-N 3.19Å; I223-I226 WeakPolarHBondContact O-CG1 3.2Å; I223-I226 PolarHBondContact O-N 3.36Å; D224-I226 VanDerWaalsContact C-N 3.3Å; D224-I226 PolarHBondContact O-N 3.32Å; I226-L228 VanDerWaalsContact C-N 3.3Å
227	R	96.7	Very high	95.6	Very high	72 Å²	72	56.4 Å²	56.4	27%	0.272	28%	0.279	S	S	.	.	H	α-helix	trans	-79.6	-13.4	176.5	-70.3	176.5	70.4	-159.1	-5.9	112.5	N90 Y93 I223 D224 K230	N90-R227 PolarHBondContact OD1-NH1 3.37Å; Y93-R227 HydrophobicContact CD1-CG 3.93Å; Y93-R227 HydrophobicContact CD2-CG 3.93Å; Y93-R227 HydrophobicContact CE1-CG 3.74Å; Y93-R227 HydrophobicContact CE2-CG 3.75Å; Y93-R227 HydrophobicContact CG-CG 4.01Å; I223-R227 HydrophobicContact CG2-CG 4.26Å; I223-R227 WeakPolarHBondContact O-CB 3.39Å; I223-R227 VanDerWaalsContact O-CG 3.27Å; I223-R227 WeakPolarHBondContact O-CG 3.32Å; I223-R227 PolarHBondContact O-N 2.9Å; D224-R227 CarbonylContact O-C 3.57Å; D224-R227 PolarHBondContact O-N 2.92Å; R227-K230 WeakPolarHBondContact O-CD 3.41Å; R227-K230 WeakPolarHBondContact O-CE 3.46Å; R227-K230 PolarHBondContact O-NZ 3.18Å
228	L	94.8	Very high	95.8	Very high	123 Å²	123	55.9 Å²	55.9	64%	0.644	28%	0.278	S	S	*	.	H	α-helix	trans	-59.3	-49.7	178.7	-177.4	62.4	0	0	0	110.7	D224 I226 K230	D224-L228 PolarHBondContact O-N 2.88Å; I226-L228 VanDerWaalsContact C-N 3.3Å; L228-K230 WeakPolarHBondContact O-CD 3.1Å; L228-K230 PolarHBondContact O-NZ 3.49Å; L228-K230 VanDerWaalsContact O-NZ 3.09Å
229	I	93.8	Very high	96	Very high	133 Å²	133	61.2 Å²	61.2	68%	0.682	30%	0.3	S	S	*	.	S	Bend	trans	-90.5	111.7	178.9	-50.6	-55.5	0	0	0	109.3
230	K	96.3	Very high	96.1	Very high	87 Å²	87	62.1 Å²	62.1	38%	0.378	31%	0.305	S	S	.	.			trans	-79.6	137.4	-175.9	-84.2	57.5	170.6	174.4	0	110.8	R227 L228 E234 I235 L238	R227-K230 WeakPolarHBondContact O-CD 3.41Å; R227-K230 WeakPolarHBondContact O-CE 3.46Å; R227-K230 PolarHBondContact O-NZ 3.18Å; L228-K230 WeakPolarHBondContact O-CD 3.1Å; L228-K230 PolarHBondContact O-NZ 3.49Å; L228-K230 VanDerWaalsContact O-NZ 3.09Å; K230-E234 WeakPolarHBondContact CA-OE2 3.12Å; K230-E234 HydrophobicContact CB-CB 3.92Å; K230-E234 HydrophobicContact CG-CB 3.91Å; K230-I235 HydrophobicContact CB-CD1 4.48Å; K230-I235 HydrophobicContact CB-CG1 3.84Å; K230-L238 HydrophobicContact CG-CD1 3.85Å
231	S	96.5	Very high	96.3	Very high	33 Å²	33	60.8 Å²	60.8	23%	0.231	30%	0.298	C	S	.	.			trans	-70	166.7	168.7	98.1	0	0	0	0	111.6	E39 Y233 E234 I235	E39-S231 VanDerWaalsContact CD-OG 3.29Å; E39-S231 VanDerWaalsContact OE1-CB 3.28Å; E39-S231 WeakPolarHBondContact OE1-CB 3.36Å; E39-S231 PolarHBondContact OE1-OG 2.87Å; E39-S231 PolarHBondContact OE2-OG 3.17Å; S231-Y233 PolarHBondContact O-N 3.46Å; S231-Y233 WeakPolarHBondContact OG-CB 3.49Å; S231-Y233 PolarHBondContact OG-N 2.91Å; S231-Y233 VanDerWaalsContact OG-N 3.1Å; S231-E234 PolarHBondContact N-OE2 3.16Å; S231-E234 PolarHBondContact O-N 3.09Å; S231-E234 VanDerWaalsContact O-N 3.11Å; S231-E234 WeakPolarHBondContact OG-CG 3.31Å; S231-E234 PolarHBondContact OG-N 2.93Å; S231-I235 WeakPolarHBondContact O-CG1 3.31Å; S231-I235 PolarHBondContact O-N 3.18Å
232	N	96.4	Very high	96.5	Very high	145 Å²	145	58.2 Å²	58.2	78%	0.775	30%	0.295	S	S	*	.	H	α-helix	trans	-58	-34.8	173.4	-73.7	-33.2	0	0	0	112.7	K236	N232-K236 PolarHBondContact O-N 3.06Å; N232-K236 VanDerWaalsContact O-N 3.16Å
233	Y	96.1	Very high	96.6	Very high	26 Å²	26	61.9 Å²	61.9	10%	0.102	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-48.4	174.8	172.6	-88.5	0	0	0	110.7	S33 V35 E39 S231 K236 Q237 Y321	S33-Y233 WeakPolarHBondContact O-CE2 3.36Å; S33-Y233 PolarHBondContact O-OH 3.31Å; V35-Y233 HydrophobicContact CB-CE1 4.34Å; V35-Y233 HydrophobicContact CG2-CD1 4.14Å; V35-Y233 HydrophobicContact CG2-CE1 3.48Å; V35-Y233 VanDerWaalsContact CG2-CE1 3.48Å; V35-Y233 HydrophobicContact CG2-CE2 4.42Å; E39-Y233 WeakPolarHBondContact OE2-CB 3.42Å; S231-Y233 PolarHBondContact O-N 3.46Å; S231-Y233 WeakPolarHBondContact OG-CB 3.49Å; S231-Y233 PolarHBondContact OG-N 2.91Å; S231-Y233 VanDerWaalsContact OG-N 3.1Å; Y233-K236 WeakPolarHBondContact O-CB 3.43Å; Y233-K236 PolarHBondContact O-N 2.83Å; Y233-Q237 HydrophobicContact CD1-CG 4.01Å; Y233-Q237 HydrophobicContact CE1-CG 3.51Å; Y233-Q237 WeakPolarHBondContact O-CG 3.38Å; Y233-Q237 PolarHBondContact O-N 3.28Å; Y233-Q237 VanDerWaalsContact O-N 3.09Å; Y233-Q237 PolarHBondContact O-NE2 2.97Å; Y233-Y321 HydrophobicContact CE1-CE2 4.11Å
234	E	97.3	Very high	96.6	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.019	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-43.5	-177.6	-52.5	-167.2	90	0	0	111.6	R43 Y93 K230 S231 K236 Q237 L238 Y321	R43-E234 IonicContact NH2-OE1 3.47Å; Y93-E234 WeakPolarHBondContact CE2-OE1 3.37Å; K230-E234 WeakPolarHBondContact CA-OE2 3.12Å; K230-E234 HydrophobicContact CB-CB 3.92Å; K230-E234 HydrophobicContact CG-CB 3.91Å; S231-E234 PolarHBondContact N-OE2 3.16Å; S231-E234 PolarHBondContact O-N 3.09Å; S231-E234 VanDerWaalsContact O-N 3.11Å; S231-E234 WeakPolarHBondContact OG-CG 3.31Å; S231-E234 PolarHBondContact OG-N 2.93Å; E234-K236 PolarHBondContact O-N 3.25Å; E234-Q237 PolarHBondContact O-N 3.09Å; E234-Q237 VanDerWaalsContact O-N 3.09Å; E234-L238 WeakPolarHBondContact O-CG 3.4Å; E234-L238 PolarHBondContact O-N 3.19Å; E234-Y321 HydrophobicContact CB-CD1 4.32Å; E234-Y321 HydrophobicContact CB-CE1 3.55Å; E234-Y321 VanDerWaalsContact CD-OH 3.31Å; E234-Y321 HydrophobicContact CG-CE1 3.77Å; E234-Y321 WeakPolarHBondContact CG-OH 3.49Å; E234-Y321 WeakPolarHBondContact OE1-CE1 3.44Å; E234-Y321 PolarHBondContact OE1-OH 3.25Å
235	I	97.1	Very high	96.7	Very high	67 Å²	67	58 Å²	58	34%	0.344	29%	0.294	S	S	.	.	H	α-helix	trans	-57.2	-40.3	174.7	-68.1	168.6	0	0	0	110.4	K230 S231 L238 K239	K230-I235 HydrophobicContact CB-CD1 4.48Å; K230-I235 HydrophobicContact CB-CG1 3.84Å; S231-I235 WeakPolarHBondContact O-CG1 3.31Å; S231-I235 PolarHBondContact O-N 3.18Å; I235-L238 PolarHBondContact O-N 2.84Å; I235-K239 HydrophobicContact CG2-CD 4.19Å; I235-K239 HydrophobicContact CG2-CG 4.48Å; I235-K239 WeakPolarHBondContact O-CB 3.42Å; I235-K239 VanDerWaalsContact O-CG 3.31Å; I235-K239 WeakPolarHBondContact O-CG 3.34Å; I235-K239 PolarHBondContact O-N 3.31Å
236	K	96.8	Very high	96.8	Very high	104 Å²	104	58 Å²	58	45%	0.452	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-41.1	176.4	-173.4	-175.4	-179.2	-172	0	112.2	N232 Y233 E234 T240	N232-K236 PolarHBondContact O-N 3.06Å; N232-K236 VanDerWaalsContact O-N 3.16Å; Y233-K236 WeakPolarHBondContact O-CB 3.43Å; Y233-K236 PolarHBondContact O-N 2.83Å; E234-K236 PolarHBondContact O-N 3.25Å; K236-T240 PolarHBondContact O-N 3.25Å; K236-T240 VanDerWaalsContact O-N 3.12Å; K236-T240 PolarHBondContact O-OG1 3.2Å
237	Q	95.8	Very high	96.9	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-45.7	176.7	-53.5	-40.5	-70.9	0	0	111	Y233 E234 K239 T240 S241 F318 N319 Y321	Y233-Q237 HydrophobicContact CD1-CG 4.01Å; Y233-Q237 HydrophobicContact CE1-CG 3.51Å; Y233-Q237 WeakPolarHBondContact O-CG 3.38Å; Y233-Q237 PolarHBondContact O-N 3.28Å; Y233-Q237 VanDerWaalsContact O-N 3.09Å; Y233-Q237 PolarHBondContact O-NE2 2.97Å; E234-Q237 PolarHBondContact O-N 3.09Å; E234-Q237 VanDerWaalsContact O-N 3.09Å; Q237-K239 PolarHBondContact O-N 2.92Å; Q237-T240 WeakPolarHBondContact O-CB 3.49Å; Q237-T240 PolarHBondContact O-N 3.09Å; Q237-S241 PolarHBondContact O-N 3.15Å; Q237-F318 HydrophobicContact CB-CD1 4.47Å; Q237-F318 VanDerWaalsContact OE1-CE1 3.3Å; Q237-N319 PolarHBondContact OE1-ND2 2.91Å; Q237-Y321 HydrophobicContact CB-CD2 3.25Å; Q237-Y321 HydrophobicContact CB-CE2 3.95Å; Q237-Y321 HydrophobicContact CB-CG 3.61Å; Q237-Y321 HydrophobicContact CG-CD2 3.53Å; Q237-Y321 HydrophobicContact CG-CE2 3.73Å; Q237-Y321 HydrophobicContact CG-CG 4.33Å
238	L	97.1	Very high	97	Very high	47 Å²	47	57.1 Å²	57.1	25%	0.246	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-45.4	176.4	-76	167.8	0	0	0	111.8	K230 E234 I235 T240 S241 V242 Y321	K230-L238 HydrophobicContact CG-CD1 3.85Å; E234-L238 WeakPolarHBondContact O-CG 3.4Å; E234-L238 PolarHBondContact O-N 3.19Å; I235-L238 PolarHBondContact O-N 2.84Å; L238-T240 VanDerWaalsContact C-N 3.3Å; L238-T240 PolarHBondContact O-N 3.21Å; L238-S241 WeakPolarHBondContact O-CB 3.34Å; L238-S241 PolarHBondContact O-N 3.15Å; L238-V242 WeakPolarHBondContact O-CG2 3.28Å; L238-V242 PolarHBondContact O-N 2.86Å; L238-Y321 HydrophobicContact CD1-CD1 4.46Å; L238-Y321 HydrophobicContact CD2-CD1 4.22Å; L238-Y321 HydrophobicContact CG-CD1 3.95Å; L238-Y321 HydrophobicContact CG-CG 4.35Å
239	K	97.6	Very high	97.1	Very high	132 Å²	132	51.6 Å²	51.6	57%	0.574	26%	0.261	S	S	*	.	H	α-helix	trans	-58	-42.7	175.4	-78	178.4	178.8	-177.4	0	111.9	I235 Q237 V242 I243	I235-K239 HydrophobicContact CG2-CD 4.19Å; I235-K239 HydrophobicContact CG2-CG 4.48Å; I235-K239 WeakPolarHBondContact O-CB 3.42Å; I235-K239 VanDerWaalsContact O-CG 3.31Å; I235-K239 WeakPolarHBondContact O-CG 3.34Å; I235-K239 PolarHBondContact O-N 3.31Å; Q237-K239 PolarHBondContact O-N 2.92Å; K239-V242 PolarHBondContact O-N 2.92Å; K239-I243 WeakPolarHBondContact O-CB 3.48Å; K239-I243 WeakPolarHBondContact O-CD1 3.16Å; K239-I243 VanDerWaalsContact O-CG1 3.22Å; K239-I243 WeakPolarHBondContact O-CG1 3.25Å; K239-I243 PolarHBondContact O-N 2.97Å
240	T	96.5	Very high	97.4	Very high	23 Å²	23	49.9 Å²	49.9	14%	0.141	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-46.3	177.2	-55	0	0	0	0	110.9	K236 Q237 L238 I243 A244 F318	K236-T240 PolarHBondContact O-N 3.25Å; K236-T240 VanDerWaalsContact O-N 3.12Å; K236-T240 PolarHBondContact O-OG1 3.2Å; Q237-T240 WeakPolarHBondContact O-CB 3.49Å; Q237-T240 PolarHBondContact O-N 3.09Å; L238-T240 VanDerWaalsContact C-N 3.3Å; L238-T240 PolarHBondContact O-N 3.21Å; T240-I243 PolarHBondContact O-N 3.18Å; T240-A244 PolarHBondContact O-N 3.13Å; T240-F318 HydrophobicContact CG2-CD1 3.78Å; T240-F318 HydrophobicContact CG2-CD2 4.25Å; T240-F318 HydrophobicContact CG2-CE1 3.76Å; T240-F318 HydrophobicContact CG2-CE2 4.25Å; T240-F318 HydrophobicContact CG2-CG 4.02Å; T240-F318 HydrophobicContact CG2-CZ 4.02Å
241	S	97.4	Very high	97.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-45.7	175.7	-179.4	0	0	0	0	112.8	Q237 L238 A244 A245 C316 S323	Q237-S241 PolarHBondContact O-N 3.15Å; L238-S241 WeakPolarHBondContact O-CB 3.34Å; L238-S241 PolarHBondContact O-N 3.15Å; S241-A244 PolarHBondContact O-N 3.49Å; S241-A245 PolarHBondContact O-N 3Å; S241-C316 WeakPolarHBondContact O-CB 3.42Å; S241-C316 VanDerWaalsContact OG-C 3.29Å; S241-C316 WeakPolarHBondContact OG-CB 3.48Å; S241-C316 PolarHBondContact OG-O 2.72Å; S241-S323 PolarHBondContact O-OG 2.78Å; S241-S323 WeakPolarHBondContact OG-CB 3.38Å; S241-S323 PolarHBondContact OG-N 3.46Å; S241-S323 VanDerWaalsContact OG-N 3.12Å; S241-S323 PolarHBondContact OG-OG 3.45Å; S241-S323 VanDerWaalsContact OG-OG 3.04Å
242	V	98.3	Very high	97.5	Very high	64 Å²	64	44.8 Å²	44.8	39%	0.388	22%	0.224	S	C	.	.	H	α-helix	trans	-62.9	-46.2	178.2	168.9	0	0	0	0	111.1	L238 K239 A244 A245 V246 I325	L238-V242 WeakPolarHBondContact O-CG2 3.28Å; L238-V242 PolarHBondContact O-N 2.86Å; K239-V242 PolarHBondContact O-N 2.92Å; V242-A244 VanDerWaalsContact C-N 3.32Å; V242-A244 PolarHBondContact O-N 2.8Å; V242-A245 PolarHBondContact O-N 2.91Å; V242-V246 HydrophobicContact CG1-CG2 4.22Å; V242-V246 WeakPolarHBondContact O-CB 3.49Å; V242-V246 WeakPolarHBondContact O-CG2 3.39Å; V242-V246 PolarHBondContact O-N 2.75Å; V242-I325 HydrophobicContact CG1-CD1 4.3Å
243	I	98.1	Very high	97.7	Very high	87 Å²	87	41.3 Å²	41.3	45%	0.446	20%	0.204	S	C	.	.	H	α-helix	trans	-58.9	-45.9	178	-70.5	164.1	0	0	0	110.3	K239 T240 A245 V246 E247	K239-I243 WeakPolarHBondContact O-CB 3.48Å; K239-I243 WeakPolarHBondContact O-CD1 3.16Å; K239-I243 VanDerWaalsContact O-CG1 3.22Å; K239-I243 WeakPolarHBondContact O-CG1 3.25Å; K239-I243 PolarHBondContact O-N 2.97Å; T240-I243 PolarHBondContact O-N 3.18Å; I243-A245 VanDerWaalsContact C-N 3.34Å; I243-A245 PolarHBondContact O-N 3.32Å; I243-V246 PolarHBondContact O-N 3.32Å; I243-E247 HydrophobicContact CG2-CG 4.49Å; I243-E247 WeakPolarHBondContact O-CB 3.21Å; I243-E247 WeakPolarHBondContact O-CG 3.41Å; I243-E247 PolarHBondContact O-N 2.61Å
244	A	96.8	Very high	97.7	Very high	7 Å²	7	47.2 Å²	47.2	6%	0.058	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-41.1	178.3	0	0	0	0	0	112.4	T240 S241 V242 S248 R276 C278 C316	T240-A244 PolarHBondContact O-N 3.13Å; S241-A244 PolarHBondContact O-N 3.49Å; V242-A244 VanDerWaalsContact C-N 3.32Å; V242-A244 PolarHBondContact O-N 2.8Å; A244-S248 WeakPolarHBondContact O-CB 3.16Å; A244-S248 PolarHBondContact O-N 3.13Å; A244-S248 PolarHBondContact O-OG 3.21Å; A244-R276 HydrophobicContact CB-CB 4.12Å; A244-C278 HydrophobicContact CB-CB 4.39Å; A244-C278 WeakPolarHBondContact CB-SG 2.81Å; A244-C316 HydrophobicContact CB-CB 4.39Å
245	A	98.1	Very high	97.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-47.2	177.7	0	0	0	0	0	111.7	S241 V242 I243 E247 S248 L249 C316 S323 I325	S241-A245 PolarHBondContact O-N 3Å; V242-A245 PolarHBondContact O-N 2.91Å; I243-A245 VanDerWaalsContact C-N 3.34Å; I243-A245 PolarHBondContact O-N 3.32Å; A245-E247 PolarHBondContact O-N 3.25Å; A245-S248 WeakPolarHBondContact O-CB 3.35Å; A245-S248 PolarHBondContact O-N 3.09Å; A245-S248 VanDerWaalsContact O-N 3.15Å; A245-L249 WeakPolarHBondContact O-CG 3.35Å; A245-L249 PolarHBondContact O-N 2.65Å; A245-C316 VanDerWaalsContact CA-SG 3.59Å; A245-C316 HydrophobicContact CB-CB 4.22Å; A245-C316 PolarHBondContact N-SG 3.43Å; A245-C316 VanDerWaalsContact N-SG 3.36Å; A245-S323 WeakPolarHBondContact CB-OG 3.18Å; A245-I325 HydrophobicContact CB-CD1 3.84Å
246	V	98.5	Very high	97.8	Very high	46 Å²	46	46.9 Å²	46.9	28%	0.279	23%	0.231	S	C	.	.	H	α-helix	trans	-57.8	-47.6	177.4	168.6	0	0	0	0	111.4	V242 I243 S248 L249 K250 I325	V242-V246 HydrophobicContact CG1-CG2 4.22Å; V242-V246 WeakPolarHBondContact O-CB 3.49Å; V242-V246 WeakPolarHBondContact O-CG2 3.39Å; V242-V246 PolarHBondContact O-N 2.75Å; I243-V246 PolarHBondContact O-N 3.32Å; V246-S248 VanDerWaalsContact C-N 3.3Å; V246-S248 PolarHBondContact O-N 2.96Å; V246-L249 PolarHBondContact O-N 3.45Å; V246-K250 HydrophobicContact CG1-CD 4.29Å; V246-K250 WeakPolarHBondContact O-CG 3.22Å; V246-K250 PolarHBondContact O-N 2.81Å; V246-I325 HydrophobicContact CG2-CD1 3.89Å
247	E	98.4	Very high	97.9	Very high	71 Å²	71	47.6 Å²	47.6	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-69	-29.5	179.6	-67	-55.4	128.8	0	0	112.6	I243 A245 K250 S251 R276	I243-E247 HydrophobicContact CG2-CG 4.49Å; I243-E247 WeakPolarHBondContact O-CB 3.21Å; I243-E247 WeakPolarHBondContact O-CG 3.41Å; I243-E247 PolarHBondContact O-N 2.61Å; A245-E247 PolarHBondContact O-N 3.25Å; E247-K250 IonicContact OE1-NZ 3.45Å; E247-K250 PolarHBondContact OE1-NZ 3.09Å; E247-S251 WeakPolarHBondContact O-CB 3.47Å; E247-S251 PolarHBondContact O-N 3.4Å; E247-S251 VanDerWaalsContact O-N 3.09Å; E247-S251 PolarHBondContact O-OG 3.11Å; E247-R276 VanDerWaalsContact CB-NE 3.33Å; E247-R276 PolarHBondContact O-NH2 3.43Å
248	S	98.5	Very high	98	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.9	-43	173.5	-57.9	0	0	0	0	111.6	A244 A245 V246 S251 A252 M273	A244-S248 WeakPolarHBondContact O-CB 3.16Å; A244-S248 PolarHBondContact O-N 3.13Å; A244-S248 PolarHBondContact O-OG 3.21Å; A245-S248 WeakPolarHBondContact O-CB 3.35Å; A245-S248 PolarHBondContact O-N 3.09Å; A245-S248 VanDerWaalsContact O-N 3.15Å; V246-S248 VanDerWaalsContact C-N 3.3Å; V246-S248 PolarHBondContact O-N 2.96Å; S248-S251 WeakPolarHBondContact O-CB 3.43Å; S248-S251 PolarHBondContact O-N 3.04Å; S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 2.94Å; S248-M273 PolarHBondContact OG-N 3.38Å
249	L	98.6	Very high	98.1	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-43.9	175.4	-71.7	172.1	0	0	0	112	A245 V246 S251 A252 M253 V312 A314 I325 R327	A245-L249 WeakPolarHBondContact O-CG 3.35Å; A245-L249 PolarHBondContact O-N 2.65Å; V246-L249 PolarHBondContact O-N 3.45Å; L249-S251 VanDerWaalsContact C-N 3.28Å; L249-S251 PolarHBondContact O-N 3.33Å; L249-A252 WeakPolarHBondContact O-CB 3.11Å; L249-A252 PolarHBondContact O-N 3.28Å; L249-A252 VanDerWaalsContact O-N 3.09Å; L249-M253 WeakPolarHBondContact O-CG 3.36Å; L249-M253 PolarHBondContact O-N 2.96Å; L249-V312 HydrophobicContact CD2-CB 4.25Å; L249-V312 HydrophobicContact CD2-CG1 3.63Å; L249-A314 HydrophobicContact CD2-CB 4.41Å; L249-I325 HydrophobicContact CD1-CB 4.15Å; L249-I325 HydrophobicContact CD1-CG2 3.79Å; L249-R327 HydrophobicContact CD1-CG 4.23Å
250	K	98.5	Very high	98.1	Very high	98 Å²	98	43.9 Å²	43.9	43%	0.426	23%	0.232	S	C	.	.	H	α-helix	trans	-57.2	-43.5	172.8	-74.3	175.6	-176.7	170.7	0	111.8	V246 E247 A252 M253 Q254	V246-K250 HydrophobicContact CG1-CD 4.29Å; V246-K250 WeakPolarHBondContact O-CG 3.22Å; V246-K250 PolarHBondContact O-N 2.81Å; E247-K250 IonicContact OE1-NZ 3.45Å; E247-K250 PolarHBondContact OE1-NZ 3.09Å; K250-A252 VanDerWaalsContact C-N 3.31Å; K250-A252 PolarHBondContact O-N 3.1Å; K250-M253 PolarHBondContact O-N 3.05Å; K250-Q254 WeakPolarHBondContact O-CG 3.38Å; K250-Q254 PolarHBondContact O-N 3.06Å
251	S	98.6	Very high	98.2	Very high	13 Å²	13	45 Å²	45	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-40.7	176.4	-56.1	0	0	0	0	110.9	E247 S248 L249 Q254 I255 Y268 R276	E247-S251 WeakPolarHBondContact O-CB 3.47Å; E247-S251 PolarHBondContact O-N 3.4Å; E247-S251 VanDerWaalsContact O-N 3.09Å; E247-S251 PolarHBondContact O-OG 3.11Å; S248-S251 WeakPolarHBondContact O-CB 3.43Å; S248-S251 PolarHBondContact O-N 3.04Å; L249-S251 VanDerWaalsContact C-N 3.28Å; L249-S251 PolarHBondContact O-N 3.33Å; S251-Q254 WeakPolarHBondContact O-CB 3.49Å; S251-Q254 PolarHBondContact O-N 3.3Å; S251-I255 PolarHBondContact O-N 3.44Å; S251-Y268 WeakPolarHBondContact O-CE1 3.5Å; S251-R276 PolarHBondContact OG-NH2 2.94Å; S251-R276 VanDerWaalsContact OG-NH2 3.17Å
252	A	98.1	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-43.2	178.1	0	0	0	0	0	112.2	S248 L249 K250 Q254 I255 T256 L265 Y268 I269	S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 2.94Å; L249-A252 WeakPolarHBondContact O-CB 3.11Å; L249-A252 PolarHBondContact O-N 3.28Å; L249-A252 VanDerWaalsContact O-N 3.09Å; K250-A252 VanDerWaalsContact C-N 3.31Å; K250-A252 PolarHBondContact O-N 3.1Å; A252-Q254 VanDerWaalsContact C-N 3.27Å; A252-Q254 PolarHBondContact O-N 3.26Å; A252-I255 VanDerWaalsContact O-CG1 3.27Å; A252-I255 WeakPolarHBondContact O-CG1 3.32Å; A252-I255 PolarHBondContact O-N 2.96Å; A252-T256 PolarHBondContact O-N 3.38Å; A252-T256 PolarHBondContact O-OG1 3.13Å; A252-L265 HydrophobicContact CB-CD1 3.79Å; A252-Y268 HydrophobicContact CB-CD1 4.49Å; A252-I269 HydrophobicContact CB-CD1 4.12Å; A252-I269 HydrophobicContact CB-CG1 3.49Å; A252-I269 VanDerWaalsContact CB-CG1 3.49Å
253	M	98.6	Very high	98.3	Very high	71 Å²	71	45 Å²	45	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-57	-40.5	173.6	-68.9	167.3	179.7	0	0	111.7	L249 K250 I255 T256 R327 W329	L249-M253 WeakPolarHBondContact O-CG 3.36Å; L249-M253 PolarHBondContact O-N 2.96Å; K250-M253 PolarHBondContact O-N 3.05Å; M253-I255 VanDerWaalsContact C-N 3.33Å; M253-I255 PolarHBondContact O-N 2.9Å; M253-T256 PolarHBondContact O-N 2.6Å; M253-R327 HydrophobicContact CE-CB 3.91Å; M253-R327 HydrophobicContact CE-CG 4.28Å; M253-W329 HydrophobicContact CE-CD2 4.07Å; M253-W329 HydrophobicContact CE-CE3 3.53Å; M253-W329 HydrophobicContact CE-CZ3 3.83Å; M253-W329 HydrophobicContact CG-CD2 3.68Å; M253-W329 HydrophobicContact CG-CE3 4Å; M253-W329 HydrophobicContact CG-CG 4.08Å; M253-W329 HydrophobicContact CG-CH2 4.24Å; M253-W329 HydrophobicContact CG-CZ2 3.97Å; M253-W329 HydrophobicContact CG-CZ3 4.27Å
254	Q	97.8	Very high	98.3	Very high	151 Å²	151	44.3 Å²	44.3	71%	0.706	24%	0.239	S	C	*	.	H	α-helix	trans	-65.7	-29.8	-178.8	-71.4	170.3	-1.5	0	0	114.4	K250 S251 A252	K250-Q254 WeakPolarHBondContact O-CG 3.38Å; K250-Q254 PolarHBondContact O-N 3.06Å; S251-Q254 WeakPolarHBondContact O-CB 3.49Å; S251-Q254 PolarHBondContact O-N 3.3Å; A252-Q254 VanDerWaalsContact C-N 3.27Å; A252-Q254 PolarHBondContact O-N 3.26Å
255	I	97.2	Very high	98.4	Very high	58 Å²	58	44 Å²	44	30%	0.297	24%	0.236	S	C	.	.	H	α-helix	trans	-93.2	-8	178.7	67.7	147.8	0	0	0	113.2	S251 A252 M253 Q257 I260 L265 Y268	S251-I255 PolarHBondContact O-N 3.44Å; A252-I255 VanDerWaalsContact O-CG1 3.27Å; A252-I255 WeakPolarHBondContact O-CG1 3.32Å; A252-I255 PolarHBondContact O-N 2.96Å; M253-I255 VanDerWaalsContact C-N 3.33Å; M253-I255 PolarHBondContact O-N 2.9Å; I255-Q257 PolarHBondContact O-N 2.82Å; I255-I260 HydrophobicContact CD1-CD1 4.17Å; I255-L265 HydrophobicContact CD1-CD1 4.41Å; I255-L265 HydrophobicContact CG1-CD1 4.44Å; I255-Y268 HydrophobicContact CB-CE1 4.42Å; I255-Y268 HydrophobicContact CD1-CD1 3.35Å; I255-Y268 HydrophobicContact CD1-CD2 3.85Å; I255-Y268 HydrophobicContact CD1-CE1 3.84Å; I255-Y268 HydrophobicContact CD1-CE2 4.3Å; I255-Y268 HydrophobicContact CD1-CG 3.33Å; I255-Y268 HydrophobicContact CG1-CD1 3.7Å; I255-Y268 HydrophobicContact CG1-CE1 3.78Å; I255-Y268 HydrophobicContact CG1-CG 4.19Å; I255-Y268 HydrophobicContact CG2-CD1 4.46Å; I255-Y268 HydrophobicContact CG2-CE1 3.75Å; I255-Y268 HydrophobicContact CG2-CE2 4.18Å
256	T	98.4	Very high	98.4	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.037	25%	0.245	C	C	.	.			trans	-69.3	128.3	-175.7	-59.7	0	0	0	0	109.5	A252 M253 I260 V310 W329 V331	A252-T256 PolarHBondContact O-N 3.38Å; A252-T256 PolarHBondContact O-OG1 3.13Å; M253-T256 PolarHBondContact O-N 2.6Å; T256-I260 HydrophobicContact CG2-CG2 4.37Å; T256-V310 HydrophobicContact CG2-CG1 4.39Å; T256-W329 PolarHBondContact OG1-NE1 2.88Å; T256-W329 VanDerWaalsContact OG1-NE1 3.1Å; T256-V331 HydrophobicContact CG2-CB 4.2Å; T256-V331 HydrophobicContact CG2-CG2 3.55Å
257	Q	98.3	Very high	98.4	Very high	119 Å²	119	46.9 Å²	46.9	56%	0.556	25%	0.254	S	S	*	.			trans	-147.7	154.7	175.4	-68.2	-61.9	-43.8	0	0	109.2	I255 G259 I260 V331	I255-Q257 PolarHBondContact O-N 2.82Å; Q257-G259 PolarHBondContact O-N 2.86Å; Q257-I260 WeakPolarHBondContact O-CB 3.47Å; Q257-I260 VanDerWaalsContact O-CG2 3.28Å; Q257-I260 WeakPolarHBondContact O-CG2 3.28Å; Q257-I260 PolarHBondContact O-N 2.88Å; Q257-I260 VanDerWaalsContact O-N 3.08Å; Q257-V331 CarbonylContact C-O 3.53Å; Q257-V331 WeakPolarHBondContact CA-O 3.33Å
258	P	98.6	Very high	98.4	Very high	51 Å²	51	46.5 Å²	46.5	33%	0.331	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	134.5	175.8	-28.1	37.1	0	0	0	112.3	N306 V331 N332	P258-N306 HydrophobicContact CB-CB 3.77Å; P258-N306 HydrophobicContact CG-CB 4.04Å; P258-V331 HydrophobicContact CG-CG1 4.31Å; P258-N332 HydrophobicContact CG-CB 3.7Å
259	G	98.4	Very high	98.4	Very high	28 Å²	28	46.5 Å²	46.5	29%	0.289	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-2.8	-177.5	0	0	0	0	0	114.9	Q257 I304	Q257-G259 PolarHBondContact O-N 2.86Å; G259-I304 WeakPolarHBondContact CA-O 3.27Å; G259-I304 PolarHBondContact N-O 3.22Å
260	I	98.5	Very high	98.4	Very high	22 Å²	22	48.1 Å²	48.1	11%	0.113	26%	0.258	C	S	.	.			trans	-58.9	145.8	167.1	-164.3	168.4	0	0	0	109.8	I255 T256 Q257 T264 L265 I304 V331	I255-I260 HydrophobicContact CD1-CD1 4.17Å; T256-I260 HydrophobicContact CG2-CG2 4.37Å; Q257-I260 WeakPolarHBondContact O-CB 3.47Å; Q257-I260 VanDerWaalsContact O-CG2 3.28Å; Q257-I260 WeakPolarHBondContact O-CG2 3.28Å; Q257-I260 PolarHBondContact O-N 2.88Å; Q257-I260 VanDerWaalsContact O-N 3.08Å; I260-T264 HydrophobicContact CD1-CG2 4.31Å; I260-T264 HydrophobicContact CG1-CG2 4.12Å; I260-L265 HydrophobicContact CD1-CB 4.06Å; I260-L265 HydrophobicContact CD1-CD1 4.2Å; I260-I304 HydrophobicContact CG2-CB 4.35Å; I260-I304 HydrophobicContact CG2-CD1 4.38Å; I260-I304 PolarHBondContact O-N 2.97Å; I260-V331 HydrophobicContact CG2-CG2 4Å
261	T	98.6	Very high	98.3	Very high	46 Å²	46	50.3 Å²	50.3	28%	0.282	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-92.3	148.1	171.8	71.9	0	0	0	0	110.5	T263 T264 L265 M302	T261-T263 PolarHBondContact O-N 2.78Å; T261-T264 WeakPolarHBondContact O-CB 3.44Å; T261-T264 PolarHBondContact O-N 3.4Å; T261-T264 VanDerWaalsContact O-N 3.09Å; T261-T264 WeakPolarHBondContact OG1-CB 3.06Å; T261-T264 PolarHBondContact OG1-N 2.79Å; T261-T264 PolarHBondContact OG1-OG1 2.88Å; T261-L265 PolarHBondContact O-N 3.32Å; T261-M302 WeakPolarHBondContact CA-O 3.25Å
262	E	98.7	Very high	98.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-53	-40	171.8	-67.3	166.4	172.1	0	0	111	T264 L265 Q266 V286 G288 R291 Y297 N300 N301 M302 I304	E262-T264 PolarHBondContact O-N 3.28Å; E262-L265 PolarHBondContact O-N 3.19Å; E262-Q266 WeakPolarHBondContact O-CB 3.48Å; E262-Q266 PolarHBondContact O-N 2.62Å; E262-V286 HydrophobicContact CB-CB 4.29Å; E262-V286 HydrophobicContact CB-CG1 3.94Å; E262-V286 WeakPolarHBondContact CB-O 3.18Å; E262-V286 HydrophobicContact CG-CG1 4.19Å; E262-V286 WeakPolarHBondContact CG-O 3.35Å; E262-G288 PolarHBondContact OE1-N 2.84Å; E262-R291 IonicContact OE1-CZ 3.18Å; E262-R291 IonicContact OE1-NE 2.72Å; E262-R291 PolarHBondContact OE1-NE 3.34Å; E262-R291 IonicContact OE1-NH2 2.77Å; E262-R291 PolarHBondContact OE1-NH2 3.24Å; E262-R291 IonicContact OE2-NE 3.97Å; E262-Y297 VanDerWaalsContact OE2-CE1 3.28Å; E262-Y297 WeakPolarHBondContact OE2-CE1 3.43Å; E262-Y297 PolarHBondContact OE2-OH 2.71Å; E262-N300 CarbonylContact C-O 3.53Å; E262-N300 VanDerWaalsContact CB-C 3.45Å; E262-N300 HydrophobicContact CB-CB 4.17Å; E262-N300 WeakPolarHBondContact OE2-CA 3.42Å; E262-N301 PolarHBondContact OE2-N 2.89Å; E262-N301 VanDerWaalsContact OE2-N 3.12Å; E262-M302 WeakPolarHBondContact CG-O 3.43Å; E262-M302 PolarHBondContact N-O 2.83Å; E262-M302 WeakPolarHBondContact OE2-CB 3.38Å; E262-M302 PolarHBondContact OE2-N 2.86Å; E262-I304 HydrophobicContact CG-CD1 3.94Å; E262-I304 HydrophobicContact CG-CG1 3.9Å
263	T	98.4	Very high	98.3	Very high	64 Å²	64	50.7 Å²	50.7	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-44	177	-46.9	0	0	0	0	112.1	T261 L265 S267 N300	T261-T263 PolarHBondContact O-N 2.78Å; T263-L265 VanDerWaalsContact C-N 3.35Å; T263-S267 VanDerWaalsContact O-CB 3.31Å; T263-S267 WeakPolarHBondContact O-CB 3.34Å; T263-S267 PolarHBondContact O-N 3.24Å; T263-S267 PolarHBondContact O-OG 2.8Å; T263-N300 VanDerWaalsContact CA-O 3.29Å; T263-N300 WeakPolarHBondContact CA-O 3.3Å; T263-N300 WeakPolarHBondContact CB-O 3.45Å; T263-N300 PolarHBondContact N-O 3.04Å; T263-N300 PolarHBondContact OG1-O 3.29Å
264	T	98.6	Very high	98.2	Very high	74 Å²	74	53.5 Å²	53.5	45%	0.454	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-45	177.5	-60.4	0	0	0	0	110.6	I260 T261 E262 S267 Y268	I260-T264 HydrophobicContact CD1-CG2 4.31Å; I260-T264 HydrophobicContact CG1-CG2 4.12Å; T261-T264 WeakPolarHBondContact O-CB 3.44Å; T261-T264 PolarHBondContact O-N 3.4Å; T261-T264 VanDerWaalsContact O-N 3.09Å; T261-T264 WeakPolarHBondContact OG1-CB 3.06Å; T261-T264 PolarHBondContact OG1-N 2.79Å; T261-T264 PolarHBondContact OG1-OG1 2.88Å; E262-T264 PolarHBondContact O-N 3.28Å; T264-S267 PolarHBondContact O-N 3Å; T264-Y268 WeakPolarHBondContact O-CB 3.44Å; T264-Y268 PolarHBondContact O-N 3.47Å
265	L	98.5	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-45.3	179.9	-174	60.1	0	0	0	111.5	A252 I255 I260 T261 E262 T263 S267 Y268 I269 V286 V310 V312 W329	A252-L265 HydrophobicContact CB-CD1 3.79Å; I255-L265 HydrophobicContact CD1-CD1 4.41Å; I255-L265 HydrophobicContact CG1-CD1 4.44Å; I260-L265 HydrophobicContact CD1-CB 4.06Å; I260-L265 HydrophobicContact CD1-CD1 4.2Å; T261-L265 PolarHBondContact O-N 3.32Å; E262-L265 PolarHBondContact O-N 3.19Å; T263-L265 VanDerWaalsContact C-N 3.35Å; L265-S267 PolarHBondContact O-N 3.08Å; L265-Y268 PolarHBondContact O-N 2.71Å; L265-I269 HydrophobicContact CG-CD1 4.09Å; L265-I269 WeakPolarHBondContact O-CD1 3.13Å; L265-I269 WeakPolarHBondContact O-CG1 3.15Å; L265-I269 PolarHBondContact O-N 3.09Å; L265-V286 HydrophobicContact CB-CG1 4.08Å; L265-V286 HydrophobicContact CD2-CG1 3.81Å; L265-V286 HydrophobicContact CG-CG1 4.14Å; L265-V310 HydrophobicContact CD2-CG2 3.83Å; L265-V312 HydrophobicContact CD2-CG2 4.16Å; L265-W329 HydrophobicContact CD2-CZ2 4.05Å
266	Q	98.4	Very high	98	Very high	38 Å²	38	48.4 Å²	48.4	18%	0.178	25%	0.251	C	S	.	.	H	α-helix	trans	-54	-53	171.9	178.8	-173.8	-18.6	0	0	110.9	E262 Y268 I269 E270 P284 V286 N300	E262-Q266 WeakPolarHBondContact O-CB 3.48Å; E262-Q266 PolarHBondContact O-N 2.62Å; Q266-Y268 PolarHBondContact O-N 3.36Å; Q266-I269 PolarHBondContact O-N 3.43Å; Q266-I269 VanDerWaalsContact O-N 3.16Å; Q266-E270 HydrophobicContact CG-CG 4.31Å; Q266-E270 PolarHBondContact NE2-OE1 2.91Å; Q266-E270 VanDerWaalsContact O-CB 3.28Å; Q266-E270 WeakPolarHBondContact O-CB 3.27Å; Q266-E270 WeakPolarHBondContact O-CG 3.42Å; Q266-E270 PolarHBondContact O-N 3.28Å; Q266-P284 HydrophobicContact CG-CB 4.37Å; Q266-P284 HydrophobicContact CG-CG 4.27Å; Q266-V286 HydrophobicContact CB-CG2 3.89Å; Q266-N300 VanDerWaalsContact OE1-CB 3.27Å; Q266-N300 PolarHBondContact OE1-ND2 3.11Å
267	S	98.2	Very high	97.8	Very high	68 Å²	68	50.4 Å²	50.4	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-37.2	-178	-59.6	0	0	0	0	111.9	T263 T264 L265 Y271	T263-S267 VanDerWaalsContact O-CB 3.31Å; T263-S267 WeakPolarHBondContact O-CB 3.34Å; T263-S267 PolarHBondContact O-N 3.24Å; T263-S267 PolarHBondContact O-OG 2.8Å; T264-S267 PolarHBondContact O-N 3Å; L265-S267 PolarHBondContact O-N 3.08Å; S267-Y271 WeakPolarHBondContact O-CB 3.34Å; S267-Y271 PolarHBondContact O-N 3.3Å
268	Y	98.5	Very high	97.6	Very high	64 Å²	64	45 Å²	45	25%	0.251	25%	0.248	S	C	.	.	H	α-helix	trans	-71.2	-43.5	177.5	-171.6	-101.7	0	0	0	112.5	S251 A252 I255 T264 L265 Q266 E270 Y271 Q272	S251-Y268 WeakPolarHBondContact O-CE1 3.5Å; A252-Y268 HydrophobicContact CB-CD1 4.49Å; I255-Y268 HydrophobicContact CB-CE1 4.42Å; I255-Y268 HydrophobicContact CD1-CD1 3.35Å; I255-Y268 HydrophobicContact CD1-CD2 3.85Å; I255-Y268 HydrophobicContact CD1-CE1 3.84Å; I255-Y268 HydrophobicContact CD1-CE2 4.3Å; I255-Y268 HydrophobicContact CD1-CG 3.33Å; I255-Y268 HydrophobicContact CG1-CD1 3.7Å; I255-Y268 HydrophobicContact CG1-CE1 3.78Å; I255-Y268 HydrophobicContact CG1-CG 4.19Å; I255-Y268 HydrophobicContact CG2-CD1 4.46Å; I255-Y268 HydrophobicContact CG2-CE1 3.75Å; I255-Y268 HydrophobicContact CG2-CE2 4.18Å; T264-Y268 WeakPolarHBondContact O-CB 3.44Å; T264-Y268 PolarHBondContact O-N 3.47Å; L265-Y268 PolarHBondContact O-N 2.71Å; Q266-Y268 PolarHBondContact O-N 3.36Å; Y268-E270 VanDerWaalsContact C-N 3.31Å; Y268-E270 PolarHBondContact O-N 3.46Å; Y268-Y271 HydrophobicContact CD2-CD1 4.47Å; Y268-Y271 PolarHBondContact O-N 3.35Å; Y268-Q272 HydrophobicContact CD1-CG 4.06Å; Y268-Q272 HydrophobicContact CE1-CG 3.83Å; Y268-Q272 WeakPolarHBondContact O-CB 3.48Å; Y268-Q272 WeakPolarHBondContact O-CG 3.42Å; Y268-Q272 PolarHBondContact O-N 2.79Å; Y268-Q272 PolarHBondContact OH-NE2 2.9Å
269	I	98.4	Very high	97.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.8	-50.3	173.2	-68.7	157.5	0	0	0	109.6	A252 L265 Q266 Y271 Q272 M273 V286 V312 A314	A252-I269 HydrophobicContact CB-CD1 4.12Å; A252-I269 HydrophobicContact CB-CG1 3.49Å; A252-I269 VanDerWaalsContact CB-CG1 3.49Å; L265-I269 HydrophobicContact CG-CD1 4.09Å; L265-I269 WeakPolarHBondContact O-CD1 3.13Å; L265-I269 WeakPolarHBondContact O-CG1 3.15Å; L265-I269 PolarHBondContact O-N 3.09Å; Q266-I269 PolarHBondContact O-N 3.43Å; Q266-I269 VanDerWaalsContact O-N 3.16Å; I269-Y271 VanDerWaalsContact C-N 3.32Å; I269-Y271 PolarHBondContact O-N 2.9Å; I269-Q272 WeakPolarHBondContact O-CB 3.26Å; I269-Q272 PolarHBondContact O-N 2.69Å; I269-M273 HydrophobicContact CG2-CE 3.63Å; I269-M273 HydrophobicContact CG2-CG 4.36Å; I269-M273 HydrophobicContact CG2-SD 4.04Å; I269-M273 VanDerWaalsContact O-CG 3.29Å; I269-M273 WeakPolarHBondContact O-CG 3.36Å; I269-M273 PolarHBondContact O-N 3.47Å; I269-V286 HydrophobicContact CD1-CG2 4.27Å; I269-V312 HydrophobicContact CD1-CG1 3.65Å; I269-V312 HydrophobicContact CD1-CG2 4.26Å; I269-A314 HydrophobicContact CG2-CB 4.15Å
270	E	98	Very high	97.3	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-38.8	179	-84.6	-153.6	-140.4	0	0	113.8	Q266 Y268 R274 V280 P284	Q266-E270 HydrophobicContact CG-CG 4.31Å; Q266-E270 PolarHBondContact NE2-OE1 2.91Å; Q266-E270 VanDerWaalsContact O-CB 3.28Å; Q266-E270 WeakPolarHBondContact O-CB 3.27Å; Q266-E270 WeakPolarHBondContact O-CG 3.42Å; Q266-E270 PolarHBondContact O-N 3.28Å; Y268-E270 VanDerWaalsContact C-N 3.31Å; Y268-E270 PolarHBondContact O-N 3.46Å; E270-R274 VanDerWaalsContact CB-NH1 3.25Å; E270-R274 WeakPolarHBondContact O-CG 3.24Å; E270-R274 PolarHBondContact O-N 2.74Å; E270-R274 PolarHBondContact O-NH1 2.89Å; E270-R274 IonicContact OE2-CZ 3.79Å; E270-R274 IonicContact OE2-NH1 2.9Å; E270-R274 PolarHBondContact OE2-NH1 2.8Å; E270-R274 IonicContact OE2-NH2 3.73Å; E270-R274 PolarHBondContact OE2-NH2 3.2Å; E270-V280 HydrophobicContact CB-CG2 4.41Å; E270-V280 HydrophobicContact CG-CG2 3.69Å; E270-P284 HydrophobicContact CG-CG 4.3Å
271	Y	98.1	Very high	97.1	Very high	144 Å²	144	44 Å²	44	57%	0.565	24%	0.241	S	C	*	.	H	α-helix	trans	-63.8	-47.7	171.7	162.7	-104	0	0	0	111.2	S267 Y268 I269 M273 R274 S275	S267-Y271 WeakPolarHBondContact O-CB 3.34Å; S267-Y271 PolarHBondContact O-N 3.3Å; Y268-Y271 HydrophobicContact CD2-CD1 4.47Å; Y268-Y271 PolarHBondContact O-N 3.35Å; I269-Y271 VanDerWaalsContact C-N 3.32Å; I269-Y271 PolarHBondContact O-N 2.9Å; Y271-M273 VanDerWaalsContact C-N 3.32Å; Y271-M273 PolarHBondContact O-N 2.86Å; Y271-R274 PolarHBondContact O-N 3.19Å; Y271-S275 WeakPolarHBondContact O-CB 3.35Å; Y271-S275 PolarHBondContact O-N 3.2Å; Y271-S275 PolarHBondContact O-OG 3.44Å
272	Q	98.4	Very high	97	Very high	22 Å²	22	44.2 Å²	44.2	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-37.5	-179.1	-69.3	-69.6	-13.6	0	0	112	Y268 I269 S275 R276	Y268-Q272 HydrophobicContact CD1-CG 4.06Å; Y268-Q272 HydrophobicContact CE1-CG 3.83Å; Y268-Q272 WeakPolarHBondContact O-CB 3.48Å; Y268-Q272 WeakPolarHBondContact O-CG 3.42Å; Y268-Q272 PolarHBondContact O-N 2.79Å; Y268-Q272 PolarHBondContact OH-NE2 2.9Å; I269-Q272 WeakPolarHBondContact O-CB 3.26Å; I269-Q272 PolarHBondContact O-N 2.69Å; Q272-S275 WeakPolarHBondContact CA-OG 3.45Å; Q272-S275 PolarHBondContact O-OG 2.58Å; Q272-R276 VanDerWaalsContact C-NH1 3.33Å; Q272-R276 VanDerWaalsContact CB-NH1 3.32Å; Q272-R276 WeakPolarHBondContact O-CG 3.18Å; Q272-R276 PolarHBondContact O-N 3.4Å; Q272-R276 PolarHBondContact O-NH1 3.49Å
273	M	97.2	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-49.1	175.1	-65.6	178	162.5	0	0	111.1	S248 I269 Y271 R276 C278 V280 A314 C316	S248-M273 PolarHBondContact OG-N 3.38Å; I269-M273 HydrophobicContact CG2-CE 3.63Å; I269-M273 HydrophobicContact CG2-CG 4.36Å; I269-M273 HydrophobicContact CG2-SD 4.04Å; I269-M273 VanDerWaalsContact O-CG 3.29Å; I269-M273 WeakPolarHBondContact O-CG 3.36Å; I269-M273 PolarHBondContact O-N 3.47Å; Y271-M273 VanDerWaalsContact C-N 3.32Å; Y271-M273 PolarHBondContact O-N 2.86Å; M273-R276 CarbonylContact O-C 3.35Å; M273-R276 WeakPolarHBondContact O-CA 3.42Å; M273-R276 PolarHBondContact O-N 3.29Å; M273-R276 VanDerWaalsContact O-N 3.09Å; M273-C278 CarbonylContact C-O 3.52Å; M273-C278 PolarHBondContact O-N 3.27Å; M273-C278 VanDerWaalsContact O-N 3.1Å; M273-V280 HydrophobicContact SD-CG2 4.24Å; M273-A314 HydrophobicContact CE-CB 3.76Å; M273-C316 WeakPolarHBondContact CG-SG 3.22Å
274	R	96.3	Very high	96.7	Very high	130 Å²	130	45.4 Å²	45.4	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-39.4	-179.9	-71.2	179.8	-177	84.6	-11.7	112.7	E270 Y271 R276 G277 C278	E270-R274 VanDerWaalsContact CB-NH1 3.25Å; E270-R274 WeakPolarHBondContact O-CG 3.24Å; E270-R274 PolarHBondContact O-N 2.74Å; E270-R274 PolarHBondContact O-NH1 2.89Å; E270-R274 IonicContact OE2-CZ 3.79Å; E270-R274 IonicContact OE2-NH1 2.9Å; E270-R274 PolarHBondContact OE2-NH1 2.8Å; E270-R274 IonicContact OE2-NH2 3.73Å; E270-R274 PolarHBondContact OE2-NH2 3.2Å; Y271-R274 PolarHBondContact O-N 3.19Å; R274-R276 PolarHBondContact O-N 3.1Å; R274-R276 VanDerWaalsContact O-N 3.15Å; R274-G277 PolarHBondContact O-N 3.11Å; R274-C278 WeakPolarHBondContact CA-O 3.27Å; R274-C278 PolarHBondContact N-O 3.39Å
275	S	96.8	Very high	96.7	Very high	57 Å²	57	42.4 Å²	42.4	40%	0.399	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-16.9	175.4	71.5	0	0	0	0	112.9	Y271 Q272	Y271-S275 WeakPolarHBondContact O-CB 3.35Å; Y271-S275 PolarHBondContact O-N 3.2Å; Y271-S275 PolarHBondContact O-OG 3.44Å; Q272-S275 WeakPolarHBondContact CA-OG 3.45Å; Q272-S275 PolarHBondContact O-OG 2.58Å
276	R	94.7	Very high	96.6	Very high	44 Å²	44	42.4 Å²	42.4	17%	0.166	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	19.5	173.5	-68.2	173.2	-178.2	70	-4.4	112.7	L29 A244 E247 S251 Q272 M273 R274 C278	L29-R276 WeakPolarHBondContact CD1-O 3.36Å; L29-R276 VanDerWaalsContact CD2-O 3.32Å; L29-R276 WeakPolarHBondContact CD2-O 3.28Å; A244-R276 HydrophobicContact CB-CB 4.12Å; E247-R276 VanDerWaalsContact CB-NE 3.33Å; E247-R276 PolarHBondContact O-NH2 3.43Å; S251-R276 PolarHBondContact OG-NH2 2.94Å; S251-R276 VanDerWaalsContact OG-NH2 3.17Å; Q272-R276 VanDerWaalsContact C-NH1 3.33Å; Q272-R276 VanDerWaalsContact CB-NH1 3.32Å; Q272-R276 WeakPolarHBondContact O-CG 3.18Å; Q272-R276 PolarHBondContact O-N 3.4Å; Q272-R276 PolarHBondContact O-NH1 3.49Å; M273-R276 CarbonylContact O-C 3.35Å; M273-R276 WeakPolarHBondContact O-CA 3.42Å; M273-R276 PolarHBondContact O-N 3.29Å; M273-R276 VanDerWaalsContact O-N 3.09Å; R274-R276 PolarHBondContact O-N 3.1Å; R274-R276 VanDerWaalsContact O-N 3.15Å; R276-C278 PolarHBondContact O-N 2.86Å
277	G	93.2	Very high	96.7	Very high	48 Å²	48	40.7 Å²	40.7	50%	0.495	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	13	175.7	0	0	0	0	0	114.8	R274	R274-G277 PolarHBondContact O-N 3.11Å
278	C	95.4	Very high	96.7	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.034	20%	0.197	C	C	.	.			trans	-105.5	145.5	177.1	-65.2	0	0	0	0	110.9	A244 M273 R274 R276 C316	A244-C278 HydrophobicContact CB-CB 4.39Å; A244-C278 WeakPolarHBondContact CB-SG 2.81Å; M273-C278 CarbonylContact C-O 3.52Å; M273-C278 PolarHBondContact O-N 3.27Å; M273-C278 VanDerWaalsContact O-N 3.1Å; R274-C278 WeakPolarHBondContact CA-O 3.27Å; R274-C278 PolarHBondContact N-O 3.39Å; R276-C278 PolarHBondContact O-N 2.86Å; C278-C316 HydrophobicContact CB-CB 3.78Å
279	S	94.3	Very high	96.6	Very high	46 Å²	46	35 Å²	35	32%	0.322	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	168.7	162.2	63.2	0	0	0	0	110	C316 R317	S279-C316 CarbonylContact O-C 3.51Å; S279-R317 PolarHBondContact N-O 3.35Å; S279-R317 PolarHBondContact O-N 3.35Å; S279-R317 WeakPolarHBondContact OG-CB 3.31Å; S279-R317 PolarHBondContact OG-NE 2.83Å; S279-R317 PolarHBondContact OG-NH2 3.29Å; S279-R317 PolarHBondContact OG-O 3.33Å
280	V	96	Very high	96.4	Very high	20 Å²	20	41.7 Å²	41.7	12%	0.121	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.3	170.1	179.1	0	0	0	0	108.5	E270 M273 Y282 P284 R317	E270-V280 HydrophobicContact CB-CG2 4.41Å; E270-V280 HydrophobicContact CG-CG2 3.69Å; M273-V280 HydrophobicContact SD-CG2 4.24Å; V280-Y282 WeakPolarHBondContact CG1-O 3.31Å; V280-P284 HydrophobicContact CG1-CG 4.18Å; V280-R317 PolarHBondContact O-NH2 3.43Å
281	G	95.2	Very high	96.4	Very high	15 Å²	15	42 Å²	42	16%	0.155	23%	0.227	C	C	.	.	S	Bend	trans	-73.9	-41.6	-179.6	0	0	0	0	0	113.4	G315	G281-G315 PolarHBondContact N-O 3.32Å
282	Y	95	Very high	96.3	Very high	50 Å²	50	37 Å²	37	20%	0.196	21%	0.211	C	C	.	.	S	Bend	trans	-153.5	156.1	176.8	48.9	-91.2	0	0	0	108.6	V280 P284 D313 A314 G315 T322 D324 I325	V280-Y282 WeakPolarHBondContact CG1-O 3.31Å; Y282-P284 WeakPolarHBondContact O-CD 3.41Å; Y282-P284 VanDerWaalsContact O-N 3.1Å; Y282-D313 WeakPolarHBondContact CE2-OD1 3.44Å; Y282-D313 PolarHBondContact OH-OD1 2.7Å; Y282-A314 VanDerWaalsContact OH-C 3.27Å; Y282-G315 PolarHBondContact OH-N 2.96Å; Y282-T322 HydrophobicContact CD1-CG2 4.04Å; Y282-T322 HydrophobicContact CE1-CG2 4.15Å; Y282-D324 HydrophobicContact CE1-CB 4.17Å; Y282-D324 VanDerWaalsContact OH-CA 3.31Å; Y282-D324 WeakPolarHBondContact OH-CA 3.32Å; Y282-D324 PolarHBondContact OH-OD1 2.97Å; Y282-I325 PolarHBondContact OH-N 3.48Å
283	P	94.1	Very high	96.1	Very high	88 Å²	88	42 Å²	42	57%	0.571	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-52	119.4	177.6	-24.9	34.7	0	0	0	110.4	V285	P283-V285 PolarHBondContact O-N 3.33Å
284	P	96.7	Very high	96.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-61.3	140.3	-177.3	-24.9	35.4	0	0	0	110.8	Q266 E270 V280 Y282 V286 N300 D313 A314	Q266-P284 HydrophobicContact CG-CB 4.37Å; Q266-P284 HydrophobicContact CG-CG 4.27Å; E270-P284 HydrophobicContact CG-CG 4.3Å; V280-P284 HydrophobicContact CG1-CG 4.18Å; Y282-P284 WeakPolarHBondContact O-CD 3.41Å; Y282-P284 VanDerWaalsContact O-N 3.1Å; P284-V286 HydrophobicContact CB-CG2 4.28Å; P284-N300 PolarHBondContact O-ND2 3.4Å; P284-D313 CarbonylContact C-O 3.47Å; P284-D313 VanDerWaalsContact CA-O 3.27Å; P284-D313 WeakPolarHBondContact CA-O 3.16Å; P284-A314 HydrophobicContact CB-CB 4.02Å; P284-A314 HydrophobicContact CG-CB 4.41Å
285	V	98.3	Very high	95.7	Very high	12 Å²	12	47.2 Å²	47.2	7%	0.073	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	124	163.4	175	0	0	0	0	107	P283 A287 Y297 L311 V312 D313	P283-V285 PolarHBondContact O-N 3.33Å; V285-A287 HydrophobicContact CG1-CB 4.44Å; V285-Y297 WeakPolarHBondContact CG1-O 3.46Å; V285-Y297 WeakPolarHBondContact CG2-O 3.4Å; V285-L311 HydrophobicContact CG1-CD2 4.15Å; V285-V312 CarbonylContact O-C 3.59Å; V285-V312 VanDerWaalsContact O-CA 3.24Å; V285-V312 WeakPolarHBondContact O-CA 3.01Å; V285-D313 HydrophobicContact CB-CB 3.91Å; V285-D313 HydrophobicContact CG2-CB 4.25Å; V285-D313 PolarHBondContact N-O 3.41Å; V285-D313 PolarHBondContact O-N 3.49Å
286	V	98.4	Very high	95.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	100.5	174	-177.6	0	0	0	0	108	E262 L265 Q266 I269 P284 Y297 N300 V310 V312	E262-V286 HydrophobicContact CB-CB 4.29Å; E262-V286 HydrophobicContact CB-CG1 3.94Å; E262-V286 WeakPolarHBondContact CB-O 3.18Å; E262-V286 HydrophobicContact CG-CG1 4.19Å; E262-V286 WeakPolarHBondContact CG-O 3.35Å; L265-V286 HydrophobicContact CB-CG1 4.08Å; L265-V286 HydrophobicContact CD2-CG1 3.81Å; L265-V286 HydrophobicContact CG-CG1 4.14Å; Q266-V286 HydrophobicContact CB-CG2 3.89Å; I269-V286 HydrophobicContact CD1-CG2 4.27Å; P284-V286 HydrophobicContact CB-CG2 4.28Å; V286-Y297 VanDerWaalsContact O-CE1 3.26Å; V286-Y297 WeakPolarHBondContact O-CE1 3.47Å; V286-N300 PolarHBondContact N-OD1 3.1Å; V286-N300 PolarHBondContact O-OD1 3Å; V286-V310 HydrophobicContact CG1-CG2 4.37Å; V286-V312 HydrophobicContact CG1-CG2 4.14Å; V286-V312 HydrophobicContact CG2-CG1 4.39Å; V286-V312 HydrophobicContact CG2-CG2 4.23Å
287	A	98.5	Very high	95.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.4	-172.4	0	0	0	0	0	111.4	V285 R291 T292 Y297 V310 L311	V285-A287 HydrophobicContact CG1-CB 4.44Å; A287-R291 HydrophobicContact CB-CB 4.18Å; A287-T292 HydrophobicContact CB-CG2 4.08Å; A287-T292 VanDerWaalsContact O-CG2 3.26Å; A287-T292 WeakPolarHBondContact O-CG2 3.27Å; A287-Y297 HydrophobicContact CB-CD1 3.68Å; A287-Y297 HydrophobicContact CB-CE1 4.2Å; A287-Y297 HydrophobicContact CB-CG 4.2Å; A287-V310 CarbonylContact O-C 3.55Å; A287-V310 VanDerWaalsContact O-CA 3.3Å; A287-V310 WeakPolarHBondContact O-CA 3.28Å; A287-L311 PolarHBondContact N-O 3.08Å; A287-L311 PolarHBondContact O-N 2.76Å
288	G	98.2	Very high	95.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	148.3	170.6	0	0	0	0	0	113.4	E262 R291 L309	E262-G288 PolarHBondContact OE1-N 2.84Å; G288-R291 WeakPolarHBondContact O-CB 3.26Å; G288-R291 PolarHBondContact O-N 2.91Å; G288-R291 PolarHBondContact O-NE 3.28Å; G288-R291 PolarHBondContact O-NH1 3.16Å; G288-R291 PolarHBondContact O-NH2 2.91Å; G288-L309 WeakPolarHBondContact CA-O 3.37Å
289	G	96.6	Very high	95.4	Very high	13 Å²	13	61.5 Å²	61.5	13%	0.134	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	57.6	-139.5	172.9	0	0	0	0	0	112.8	R291 T292 L309	G289-R291 PolarHBondContact O-N 3.49Å; G289-T292 WeakPolarHBondContact O-CB 3.18Å; G289-T292 VanDerWaalsContact O-CG2 3.25Å; G289-T292 WeakPolarHBondContact O-CG2 3.44Å; G289-T292 PolarHBondContact O-N 2.9Å; G289-T292 PolarHBondContact O-OG1 2.77Å; G289-L309 PolarHBondContact N-O 3.06Å
290	D	96	Very high	95.6	Very high	141 Å²	141	59.5 Å²	59.5	75%	0.754	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-59.7	-19.5	-176.7	-69.8	-16.8	0	0	0	114.5	T292 N293	D290-T292 PolarHBondContact O-N 3.34Å; D290-N293 WeakPolarHBondContact O-CB 3.49Å; D290-N293 PolarHBondContact O-N 3.1Å; D290-N293 PolarHBondContact O-ND2 2.99Å
291	R	97.6	Very high	95.6	Very high	46 Å²	46	63.1 Å²	63.1	17%	0.174	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-67.8	-18.9	179	-58.8	178.4	-62.3	-75.7	4.9	112.1	E262 A287 G288 G289 N293 I294 Y297 R303	E262-R291 IonicContact OE1-CZ 3.18Å; E262-R291 IonicContact OE1-NE 2.72Å; E262-R291 PolarHBondContact OE1-NE 3.34Å; E262-R291 IonicContact OE1-NH2 2.77Å; E262-R291 PolarHBondContact OE1-NH2 3.24Å; E262-R291 IonicContact OE2-NE 3.97Å; A287-R291 HydrophobicContact CB-CB 4.18Å; G288-R291 WeakPolarHBondContact O-CB 3.26Å; G288-R291 PolarHBondContact O-N 2.91Å; G288-R291 PolarHBondContact O-NE 3.28Å; G288-R291 PolarHBondContact O-NH1 3.16Å; G288-R291 PolarHBondContact O-NH2 2.91Å; G289-R291 PolarHBondContact O-N 3.49Å; R291-N293 PolarHBondContact O-N 2.84Å; R291-N293 VanDerWaalsContact O-N 3.11Å; R291-I294 WeakPolarHBondContact O-CB 3.47Å; R291-I294 PolarHBondContact O-N 3.01Å; R291-Y297 HydrophobicContact CB-CD2 4.41Å; R291-Y297 HydrophobicContact CB-CE2 4.26Å; R291-Y297 HydrophobicContact CG-CE2 4.43Å; R291-R303 PolarHBondContact NH2-O 3.29Å
292	T	95.5	Very high	95.8	Very high	39 Å²	39	66.7 Å²	66.7	24%	0.239	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-61.5	-16.4	174	64.6	0	0	0	0	112.7	A287 G289 D290 I294 L311	A287-T292 HydrophobicContact CB-CG2 4.08Å; A287-T292 VanDerWaalsContact O-CG2 3.26Å; A287-T292 WeakPolarHBondContact O-CG2 3.27Å; G289-T292 WeakPolarHBondContact O-CB 3.18Å; G289-T292 VanDerWaalsContact O-CG2 3.25Å; G289-T292 WeakPolarHBondContact O-CG2 3.44Å; G289-T292 PolarHBondContact O-N 2.9Å; G289-T292 PolarHBondContact O-OG1 2.77Å; D290-T292 PolarHBondContact O-N 3.34Å; T292-I294 VanDerWaalsContact C-N 3.31Å; T292-L311 HydrophobicContact CG2-CB 3.58Å
293	N	94.5	Very high	95.9	Very high	125 Å²	125	71.2 Å²	71.2	67%	0.668	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-84	-1.7	176.6	-58.1	-57.2	0	0	0	113.5	D290 R291	D290-N293 WeakPolarHBondContact O-CB 3.49Å; D290-N293 PolarHBondContact O-N 3.1Å; D290-N293 PolarHBondContact O-ND2 2.99Å; R291-N293 PolarHBondContact O-N 2.84Å; R291-N293 VanDerWaalsContact O-N 3.11Å
294	I	96.1	Very high	96.2	Very high	90 Å²	90	67 Å²	67	46%	0.462	33%	0.329	S	S	.	.			trans	-94.9	106.9	176.1	-57.9	168.4	0	0	0	108.4	R291 T292 H296 Y297	R291-I294 WeakPolarHBondContact O-CB 3.47Å; R291-I294 PolarHBondContact O-N 3.01Å; T292-I294 VanDerWaalsContact C-N 3.31Å; I294-H296 PolarHBondContact O-N 3.19Å; I294-Y297 HydrophobicContact CB-CD2 4.48Å; I294-Y297 HydrophobicContact CD1-CD2 4.02Å; I294-Y297 HydrophobicContact CG2-CD2 4.5Å; I294-Y297 WeakPolarHBondContact O-CB 3.45Å; I294-Y297 PolarHBondContact O-N 3.32Å; I294-Y297 VanDerWaalsContact O-N 3.17Å
295	I	89.1	Confident	96.2	Very high	150 Å²	150	70 Å²	70	77%	0.769	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-46	-169.9	-58.8	174.1	0	0	0	113
296	H	89.4	Confident	96.3	Very high	155 Å²	155	74.9 Å²	74.9	72%	0.718	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	52.7	176.5	-69.2	173.7	0	0	0	111.8	I294 M298	I294-H296 PolarHBondContact O-N 3.19Å; H296-M298 PolarHBondContact O-N 3.33Å; H296-M298 VanDerWaalsContact O-N 3.16Å
297	Y	96.1	Very high	96.2	Very high	12 Å²	12	76.5 Å²	76.5	5%	0.047	39%	0.387	C	S	.	.			trans	-67.9	111.7	176.9	-178.8	-102.1	0	0	0	111.7	E262 V285 V286 A287 R291 I294 K299 N300	E262-Y297 VanDerWaalsContact OE2-CE1 3.28Å; E262-Y297 WeakPolarHBondContact OE2-CE1 3.43Å; E262-Y297 PolarHBondContact OE2-OH 2.71Å; V285-Y297 WeakPolarHBondContact CG1-O 3.46Å; V285-Y297 WeakPolarHBondContact CG2-O 3.4Å; V286-Y297 VanDerWaalsContact O-CE1 3.26Å; V286-Y297 WeakPolarHBondContact O-CE1 3.47Å; A287-Y297 HydrophobicContact CB-CD1 3.68Å; A287-Y297 HydrophobicContact CB-CE1 4.2Å; A287-Y297 HydrophobicContact CB-CG 4.2Å; R291-Y297 HydrophobicContact CB-CD2 4.41Å; R291-Y297 HydrophobicContact CB-CE2 4.26Å; R291-Y297 HydrophobicContact CG-CE2 4.43Å; I294-Y297 HydrophobicContact CB-CD2 4.48Å; I294-Y297 HydrophobicContact CD1-CD2 4.02Å; I294-Y297 HydrophobicContact CG2-CD2 4.5Å; I294-Y297 WeakPolarHBondContact O-CB 3.45Å; I294-Y297 PolarHBondContact O-N 3.32Å; I294-Y297 VanDerWaalsContact O-N 3.17Å; Y297-K299 HydrophobicContact CE2-CB 3.92Å; Y297-K299 HydrophobicContact CE2-CG 4.49Å; Y297-N300 WeakPolarHBondContact CD1-OD1 3.29Å; Y297-N300 WeakPolarHBondContact CE1-OD1 3.5Å
298	M	92.3	Very high	96.2	Very high	129 Å²	129	78.6 Å²	78.6	64%	0.635	40%	0.397	S	S	*	.			trans	-116.5	-4.6	-177	-73.6	174.1	36.5	0	0	114.5	H296 N300	H296-M298 PolarHBondContact O-N 3.33Å; H296-M298 VanDerWaalsContact O-N 3.16Å; M298-N300 VanDerWaalsContact C-N 3.35Å; M298-N300 PolarHBondContact O-N 3.19Å
299	K	96.2	Very high	96.2	Very high	158 Å²	158	80.5 Å²	80.5	69%	0.687	41%	0.406	S	S	*	.			trans	-68.4	-37.5	-174.6	-69.8	-174.7	179.8	178	0	111.8	Y297 N301	Y297-K299 HydrophobicContact CE2-CB 3.92Å; Y297-K299 HydrophobicContact CE2-CG 4.49Å; K299-N301 WeakPolarHBondContact O-CB 3.01Å; K299-N301 PolarHBondContact O-N 2.98Å
300	N	97	Very high	96.3	Very high	4 Å²	4	79.9 Å²	79.9	2%	0.021	40%	0.4	C	S	.	.			trans	41.2	41.4	174.8	-59	-15.2	0	0	0	113.9	E262 T263 Q266 P284 V286 Y297 M298	E262-N300 CarbonylContact C-O 3.53Å; E262-N300 VanDerWaalsContact CB-C 3.45Å; E262-N300 HydrophobicContact CB-CB 4.17Å; E262-N300 WeakPolarHBondContact OE2-CA 3.42Å; T263-N300 VanDerWaalsContact CA-O 3.29Å; T263-N300 WeakPolarHBondContact CA-O 3.3Å; T263-N300 WeakPolarHBondContact CB-O 3.45Å; T263-N300 PolarHBondContact N-O 3.04Å; T263-N300 PolarHBondContact OG1-O 3.29Å; Q266-N300 VanDerWaalsContact OE1-CB 3.27Å; Q266-N300 PolarHBondContact OE1-ND2 3.11Å; P284-N300 PolarHBondContact O-ND2 3.4Å; V286-N300 PolarHBondContact N-OD1 3.1Å; V286-N300 PolarHBondContact O-OD1 3Å; Y297-N300 WeakPolarHBondContact CD1-OD1 3.29Å; Y297-N300 WeakPolarHBondContact CE1-OD1 3.5Å; M298-N300 VanDerWaalsContact C-N 3.35Å; M298-N300 PolarHBondContact O-N 3.19Å
301	N	97.4	Very high	96.4	Very high	96 Å²	96	74.9 Å²	74.9	51%	0.513	37%	0.373	S	S	.	.			trans	-127.2	10.1	-169.8	66.1	-7	0	0	0	113.6	E262 K299	E262-N301 PolarHBondContact OE2-N 2.89Å; E262-N301 VanDerWaalsContact OE2-N 3.12Å; K299-N301 WeakPolarHBondContact O-CB 3.01Å; K299-N301 PolarHBondContact O-N 2.98Å
302	M	98.4	Very high	96.5	Very high	91 Å²	91	72.7 Å²	72.7	45%	0.448	37%	0.365	S	S	.	.	S	Bend	trans	-102.6	158.1	-179.8	-61.6	-59.6	-66.6	0	0	111.8	T261 E262	T261-M302 WeakPolarHBondContact CA-O 3.25Å; E262-M302 WeakPolarHBondContact CG-O 3.43Å; E262-M302 PolarHBondContact N-O 2.83Å; E262-M302 WeakPolarHBondContact OE2-CB 3.38Å; E262-M302 PolarHBondContact OE2-N 2.86Å
303	R	98.4	Very high	96.6	Very high	144 Å²	144	72.4 Å²	72.4	54%	0.543	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-76.5	147.8	168.1	-177.4	171.6	131.5	164.6	-0.3	109.8	R291 D305	R291-R303 PolarHBondContact NH2-O 3.29Å; R303-D305 IonicContact CZ-OD1 3.15Å; R303-D305 IonicContact NE-OD1 2.72Å; R303-D305 PolarHBondContact NE-OD1 2.79Å; R303-D305 IonicContact NH2-OD1 2.76Å; R303-D305 PolarHBondContact NH2-OD1 2.87Å
304	I	98.6	Very high	96.8	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.33	C	S	.	.			trans	-107.3	115.6	173.3	-46.6	-177.6	0	0	0	108	G259 I260 E262 E308 V310 V331	G259-I304 WeakPolarHBondContact CA-O 3.27Å; G259-I304 PolarHBondContact N-O 3.22Å; I260-I304 HydrophobicContact CG2-CB 4.35Å; I260-I304 HydrophobicContact CG2-CD1 4.38Å; I260-I304 PolarHBondContact O-N 2.97Å; E262-I304 HydrophobicContact CG-CD1 3.94Å; E262-I304 HydrophobicContact CG-CG1 3.9Å; I304-E308 WeakPolarHBondContact CA-OE2 3.31Å; I304-E308 HydrophobicContact CG2-CB 4.05Å; I304-V310 HydrophobicContact CD1-CB 3.83Å; I304-V310 HydrophobicContact CD1-CG2 3.51Å; I304-V310 HydrophobicContact CG2-CB 4.46Å; I304-V331 HydrophobicContact CB-CG2 4.02Å; I304-V331 HydrophobicContact CG2-CB 3.82Å; I304-V331 HydrophobicContact CG2-CG1 4.21Å; I304-V331 HydrophobicContact CG2-CG2 3.67Å
305	D	98.5	Very high	96.8	Very high	65 Å²	65	62.2 Å²	62.2	35%	0.348	31%	0.308	S	S	.	.			trans	-91.3	156.8	-169.8	-79.9	-43.7	0	0	0	113.5	R303 G307 E308 V331	R303-D305 IonicContact CZ-OD1 3.15Å; R303-D305 IonicContact NE-OD1 2.72Å; R303-D305 PolarHBondContact NE-OD1 2.79Å; R303-D305 IonicContact NH2-OD1 2.76Å; R303-D305 PolarHBondContact NH2-OD1 2.87Å; D305-G307 PolarHBondContact O-N 3.44Å; D305-E308 HydrophobicContact CB-CG 4.34Å; D305-E308 PolarHBondContact N-OE2 3.13Å; D305-E308 VanDerWaalsContact O-CB 3.27Å; D305-E308 WeakPolarHBondContact O-CB 3.4Å; D305-E308 WeakPolarHBondContact O-CG 3.35Å; D305-E308 PolarHBondContact O-N 3.35Å; D305-V331 WeakPolarHBondContact O-CG1 3.24Å
306	N	98.6	Very high	97.1	Very high	113 Å²	113	55 Å²	55	60%	0.604	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	131.2	-179.3	-175.6	35.4	0	0	0	111.5	P258 E308 N332	P258-N306 HydrophobicContact CB-CB 3.77Å; P258-N306 HydrophobicContact CG-CB 4.04Å; N306-E308 VanDerWaalsContact C-N 3.34Å; N306-N332 VanDerWaalsContact OD1-CB 3.25Å; N306-N332 WeakPolarHBondContact OD1-CB 3.21Å; N306-N332 PolarHBondContact OD1-ND2 2.77Å
307	G	97.9	Very high	97.5	Very high	34 Å²	34	50.1 Å²	50.1	35%	0.351	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-12.9	-177.5	0	0	0	0	0	114.1	D305 Q339	D305-G307 PolarHBondContact O-N 3.44Å; G307-Q339 PolarHBondContact O-NE2 3.44Å
308	E	98.5	Very high	97.4	Very high	46 Å²	46	50.1 Å²	50.1	22%	0.215	25%	0.247	C	C	.	.			trans	-76.5	152.3	174.3	-62.5	-172.6	141.4	0	0	112.1	I304 D305 N306 V331	I304-E308 WeakPolarHBondContact CA-OE2 3.31Å; I304-E308 HydrophobicContact CG2-CB 4.05Å; D305-E308 HydrophobicContact CB-CG 4.34Å; D305-E308 PolarHBondContact N-OE2 3.13Å; D305-E308 VanDerWaalsContact O-CB 3.27Å; D305-E308 WeakPolarHBondContact O-CB 3.4Å; D305-E308 WeakPolarHBondContact O-CG 3.35Å; D305-E308 PolarHBondContact O-N 3.35Å; N306-E308 VanDerWaalsContact C-N 3.34Å; E308-V331 WeakPolarHBondContact O-CG1 3.43Å; E308-V331 PolarHBondContact O-N 3.02Å
309	L	98.5	Very high	97.4	Very high	39 Å²	39	46.5 Å²	46.5	20%	0.204	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	152.7	160.8	-61.2	-178	0	0	0	109.5	G288 G289 T328 W329 P330 F335 Q339	G288-L309 WeakPolarHBondContact CA-O 3.37Å; G289-L309 PolarHBondContact N-O 3.06Å; L309-T328 HydrophobicContact CB-CG2 3.94Å; L309-T328 HydrophobicContact CD1-CG2 3.94Å; L309-T328 HydrophobicContact CG-CG2 4.42Å; L309-W329 WeakPolarHBondContact CA-O 3.46Å; L309-P330 HydrophobicContact CD2-CB 3.94Å; L309-F335 HydrophobicContact CD2-CD1 3.91Å; L309-F335 HydrophobicContact CD2-CE1 3.96Å; L309-Q339 HydrophobicContact CD1-CB 4.25Å; L309-Q339 HydrophobicContact CD1-CG 3.93Å; L309-Q339 HydrophobicContact CD2-CB 4.19Å; L309-Q339 HydrophobicContact CD2-CG 4.03Å; L309-Q339 HydrophobicContact CG-CG 3.98Å
310	V	98.5	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.4	163.7	56.7	0	0	0	0	109	T256 L265 V286 A287 I304 V312 T328 W329	T256-V310 HydrophobicContact CG2-CG1 4.39Å; L265-V310 HydrophobicContact CD2-CG2 3.83Å; V286-V310 HydrophobicContact CG1-CG2 4.37Å; A287-V310 CarbonylContact O-C 3.55Å; A287-V310 VanDerWaalsContact O-CA 3.3Å; A287-V310 WeakPolarHBondContact O-CA 3.28Å; I304-V310 HydrophobicContact CD1-CB 3.83Å; I304-V310 HydrophobicContact CD1-CG2 3.51Å; I304-V310 HydrophobicContact CG2-CB 4.46Å; V310-V312 HydrophobicContact CG2-CG2 3.98Å; V310-T328 CarbonylContact O-C 3.56Å; V310-T328 WeakPolarHBondContact O-CA 3.44Å; V310-T328 WeakPolarHBondContact O-CG2 3.34Å; V310-W329 HydrophobicContact CG1-CD2 3.66Å; V310-W329 HydrophobicContact CG1-CE3 4.38Å; V310-W329 HydrophobicContact CG1-CG 3.88Å; V310-W329 HydrophobicContact CG1-CZ2 3.88Å; V310-W329 VanDerWaalsContact CG1-NE1 3.32Å; V310-W329 WeakPolarHBondContact CG1-O 3.48Å; V310-W329 PolarHBondContact N-O 2.89Å; V310-W329 PolarHBondContact O-N 2.95Å
311	L	98.4	Very high	97.2	Very high	36 Å²	36	42 Å²	42	19%	0.188	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.6	168	-178.5	150.8	0	0	0	108.2	V285 A287 T292 T326	V285-L311 HydrophobicContact CG1-CD2 4.15Å; A287-L311 PolarHBondContact N-O 3.08Å; A287-L311 PolarHBondContact O-N 2.76Å; T292-L311 HydrophobicContact CG2-CB 3.58Å; L311-T326 HydrophobicContact CD1-CG2 4.09Å; L311-T326 HydrophobicContact CD2-CG2 4Å; L311-T326 HydrophobicContact CG-CG2 3.88Å
312	V	98.5	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.8	171.7	176.1	0	0	0	0	109.5	L249 L265 I269 V285 V286 V310 A314 T326 R327 W329	L249-V312 HydrophobicContact CD2-CB 4.25Å; L249-V312 HydrophobicContact CD2-CG1 3.63Å; L265-V312 HydrophobicContact CD2-CG2 4.16Å; I269-V312 HydrophobicContact CD1-CG1 3.65Å; I269-V312 HydrophobicContact CD1-CG2 4.26Å; V285-V312 CarbonylContact O-C 3.59Å; V285-V312 VanDerWaalsContact O-CA 3.24Å; V285-V312 WeakPolarHBondContact O-CA 3.01Å; V286-V312 HydrophobicContact CG1-CG2 4.14Å; V286-V312 HydrophobicContact CG2-CG1 4.39Å; V286-V312 HydrophobicContact CG2-CG2 4.23Å; V310-V312 HydrophobicContact CG2-CG2 3.98Å; V312-A314 HydrophobicContact CG1-CB 3.86Å; V312-T326 CarbonylContact O-C 3.51Å; V312-T326 VanDerWaalsContact O-CA 3.26Å; V312-T326 WeakPolarHBondContact O-CA 3.34Å; V312-R327 PolarHBondContact N-O 3.43Å; V312-R327 PolarHBondContact O-N 3.32Å; V312-W329 HydrophobicContact CB-CH2 3.71Å; V312-W329 HydrophobicContact CB-CZ3 3.81Å; V312-W329 HydrophobicContact CG2-CH2 3.29Å; V312-W329 HydrophobicContact CG2-CZ2 4.07Å; V312-W329 HydrophobicContact CG2-CZ3 3.8Å
313	D	98.1	Very high	97.2	Very high	34 Å²	34	35.8 Å²	35.8	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114	163.9	-178.3	7.8	0	0	0	108.4	Y282 P284 V285 T326	Y282-D313 WeakPolarHBondContact CE2-OD1 3.44Å; Y282-D313 PolarHBondContact OH-OD1 2.7Å; P284-D313 CarbonylContact C-O 3.47Å; P284-D313 VanDerWaalsContact CA-O 3.27Å; P284-D313 WeakPolarHBondContact CA-O 3.16Å; V285-D313 HydrophobicContact CB-CB 3.91Å; V285-D313 HydrophobicContact CG2-CB 4.25Å; V285-D313 PolarHBondContact N-O 3.41Å; V285-D313 PolarHBondContact O-N 3.49Å; D313-T326 HydrophobicContact CB-CG2 4.49Å; D313-T326 VanDerWaalsContact CB-OG1 3.3Å; D313-T326 WeakPolarHBondContact CB-OG1 3.34Å; D313-T326 VanDerWaalsContact CG-OG1 3.25Å; D313-T326 PolarHBondContact OD1-OG1 3Å
314	A	97.4	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.			trans	-150.2	139	-176.2	0	0	0	0	0	112.3	L249 I269 M273 Y282 P284 V312 I325	L249-A314 HydrophobicContact CD2-CB 4.41Å; I269-A314 HydrophobicContact CG2-CB 4.15Å; M273-A314 HydrophobicContact CE-CB 3.76Å; Y282-A314 VanDerWaalsContact OH-C 3.27Å; P284-A314 HydrophobicContact CB-CB 4.02Å; P284-A314 HydrophobicContact CG-CB 4.41Å; V312-A314 HydrophobicContact CG1-CB 3.86Å; A314-I325 PolarHBondContact N-O 3.43Å
315	G	96.7	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.			trans	-128.7	141.8	-178.9	0	0	0	0	0	113.2	G281 Y282 S323	G281-G315 PolarHBondContact N-O 3.32Å; Y282-G315 PolarHBondContact OH-N 2.96Å; G315-S323 WeakPolarHBondContact CA-O 3.47Å
316	C	96.8	Very high	97	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	150.7	166.8	-77	0	0	0	0	109.9	S241 A244 A245 M273 C278 S279 T322 S323	S241-C316 WeakPolarHBondContact O-CB 3.42Å; S241-C316 VanDerWaalsContact OG-C 3.29Å; S241-C316 WeakPolarHBondContact OG-CB 3.48Å; S241-C316 PolarHBondContact OG-O 2.72Å; A244-C316 HydrophobicContact CB-CB 4.39Å; A245-C316 VanDerWaalsContact CA-SG 3.59Å; A245-C316 HydrophobicContact CB-CB 4.22Å; A245-C316 PolarHBondContact N-SG 3.43Å; A245-C316 VanDerWaalsContact N-SG 3.36Å; M273-C316 WeakPolarHBondContact CG-SG 3.22Å; C278-C316 HydrophobicContact CB-CB 3.78Å; S279-C316 CarbonylContact O-C 3.51Å; C316-T322 CarbonylContact O-C 3.59Å; C316-T322 WeakPolarHBondContact O-CA 3.29Å; C316-S323 PolarHBondContact N-OG 3.16Å; C316-S323 PolarHBondContact O-N 2.9Å; C316-S323 PolarHBondContact O-OG 2.89Å
317	R	96.1	Very high	97	Very high	52 Å²	52	34.2 Å²	34.2	20%	0.196	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.9	163	173.9	177.1	62.7	-136.1	-8.8	110.3	H86 S279 V280 Y321	H86-R317 PolarHBondContact CD2-NH1 3.42Å; H86-R317 PolarHBondContact NE2-NH1 2.97Å; S279-R317 PolarHBondContact N-O 3.35Å; S279-R317 PolarHBondContact O-N 3.35Å; S279-R317 WeakPolarHBondContact OG-CB 3.31Å; S279-R317 PolarHBondContact OG-NE 2.83Å; S279-R317 PolarHBondContact OG-NH2 3.29Å; S279-R317 PolarHBondContact OG-O 3.33Å; V280-R317 PolarHBondContact O-NH2 3.43Å; R317-Y321 WeakPolarHBondContact CA-O 3.27Å
318	F	95.3	Very high	97	Very high	12 Å²	12	34.6 Å²	34.6	5%	0.053	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.8	177.6	-174.2	-103.4	0	0	0	109.2	L29 Q237 T240 G320 Y321	L29-F318 HydrophobicContact CD2-CE2 3.9Å; L29-F318 HydrophobicContact CD2-CZ 4.49Å; Q237-F318 HydrophobicContact CB-CD1 4.47Å; Q237-F318 VanDerWaalsContact OE1-CE1 3.3Å; T240-F318 HydrophobicContact CG2-CD1 3.78Å; T240-F318 HydrophobicContact CG2-CD2 4.25Å; T240-F318 HydrophobicContact CG2-CE1 3.76Å; T240-F318 HydrophobicContact CG2-CE2 4.25Å; T240-F318 HydrophobicContact CG2-CG 4.02Å; T240-F318 HydrophobicContact CG2-CZ 4.02Å; F318-G320 VanDerWaalsContact C-N 3.25Å; F318-G320 PolarHBondContact O-N 3.28Å; F318-Y321 PolarHBondContact N-O 3.46Å; F318-Y321 WeakPolarHBondContact O-CB 3.16Å; F318-Y321 PolarHBondContact O-N 3.31Å
319	N	92.6	Very high	97	Very high	52 Å²	52	33.4 Å²	33.4	28%	0.278	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	42.9	-178.2	-64.1	-18	0	0	0	113.9	F92 Q237 Y321	F92-N319 WeakPolarHBondContact CE1-O 3.21Å; Q237-N319 PolarHBondContact OE1-ND2 2.91Å; N319-Y321 VanDerWaalsContact C-N 3.25Å; N319-Y321 WeakPolarHBondContact O-CD2 3.46Å; N319-Y321 WeakPolarHBondContact O-CE2 3.3Å; N319-Y321 PolarHBondContact O-N 3.38Å
320	G	93.1	Very high	97	Very high	42 Å²	42	32 Å²	32	43%	0.433	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-3.6	-178.6	0	0	0	0	0	115.6	F318	F318-G320 VanDerWaalsContact C-N 3.25Å; F318-G320 PolarHBondContact O-N 3.28Å
321	Y	96.1	Very high	96.9	Very high	25 Å²	25	32 Å²	32	10%	0.098	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.8	177.3	-64.7	-85.6	0	0	0	111.1	R43 Y233 E234 Q237 L238 R317 F318 N319	R43-Y321 PolarHBondContact NH2-OH 2.95Å; Y233-Y321 HydrophobicContact CE1-CE2 4.11Å; E234-Y321 HydrophobicContact CB-CD1 4.32Å; E234-Y321 HydrophobicContact CB-CE1 3.55Å; E234-Y321 VanDerWaalsContact CD-OH 3.31Å; E234-Y321 HydrophobicContact CG-CE1 3.77Å; E234-Y321 WeakPolarHBondContact CG-OH 3.49Å; E234-Y321 WeakPolarHBondContact OE1-CE1 3.44Å; E234-Y321 PolarHBondContact OE1-OH 3.25Å; Q237-Y321 HydrophobicContact CB-CD2 3.25Å; Q237-Y321 HydrophobicContact CB-CE2 3.95Å; Q237-Y321 HydrophobicContact CB-CG 3.61Å; Q237-Y321 HydrophobicContact CG-CD2 3.53Å; Q237-Y321 HydrophobicContact CG-CE2 3.73Å; Q237-Y321 HydrophobicContact CG-CG 4.33Å; L238-Y321 HydrophobicContact CD1-CD1 4.46Å; L238-Y321 HydrophobicContact CD2-CD1 4.22Å; L238-Y321 HydrophobicContact CG-CD1 3.95Å; L238-Y321 HydrophobicContact CG-CG 4.35Å; R317-Y321 WeakPolarHBondContact CA-O 3.27Å; F318-Y321 PolarHBondContact N-O 3.46Å; F318-Y321 WeakPolarHBondContact O-CB 3.16Å; F318-Y321 PolarHBondContact O-N 3.31Å; N319-Y321 VanDerWaalsContact C-N 3.25Å; N319-Y321 WeakPolarHBondContact O-CD2 3.46Å; N319-Y321 WeakPolarHBondContact O-CE2 3.3Å; N319-Y321 PolarHBondContact O-N 3.38Å
322	T	97.3	Very high	96.9	Very high	55 Å²	55	32.3 Å²	32.3	34%	0.337	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.6	-172.6	-59.6	0	0	0	0	110.8	Y282 C316	Y282-T322 HydrophobicContact CD1-CG2 4.04Å; Y282-T322 HydrophobicContact CE1-CG2 4.15Å; C316-T322 CarbonylContact O-C 3.59Å; C316-T322 WeakPolarHBondContact O-CA 3.29Å
323	S	97.9	Very high	96.9	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.021	20%	0.204	C	C	.	.			trans	-87.3	155.2	164.3	53.2	0	0	0	0	109.5	S241 A245 G315 C316	S241-S323 PolarHBondContact O-OG 2.78Å; S241-S323 WeakPolarHBondContact OG-CB 3.38Å; S241-S323 PolarHBondContact OG-N 3.46Å; S241-S323 VanDerWaalsContact OG-N 3.12Å; S241-S323 PolarHBondContact OG-OG 3.45Å; S241-S323 VanDerWaalsContact OG-OG 3.04Å; A245-S323 WeakPolarHBondContact CB-OG 3.18Å; G315-S323 WeakPolarHBondContact CA-O 3.47Å; C316-S323 PolarHBondContact N-OG 3.16Å; C316-S323 PolarHBondContact O-N 2.9Å; C316-S323 PolarHBondContact O-OG 2.89Å
324	D	97.2	Very high	96.9	Very high	116 Å²	116	39.1 Å²	39.1	62%	0.62	23%	0.225	S	C	*	.			trans	-140.2	113.7	178.8	-172.7	-31.7	0	0	0	108	Y282	Y282-D324 HydrophobicContact CE1-CB 4.17Å; Y282-D324 VanDerWaalsContact OH-CA 3.31Å; Y282-D324 WeakPolarHBondContact OH-CA 3.32Å; Y282-D324 PolarHBondContact OH-OD1 2.97Å
325	I	96.7	Very high	96.9	Very high	18 Å²	18	42.5 Å²	42.5	9%	0.092	24%	0.24	C	C	.	.			trans	-145.3	117.6	-168.4	-50.8	-179.5	0	0	0	110	V242 A245 V246 L249 Y282 A314 R327	V242-I325 HydrophobicContact CG1-CD1 4.3Å; A245-I325 HydrophobicContact CB-CD1 3.84Å; V246-I325 HydrophobicContact CG2-CD1 3.89Å; L249-I325 HydrophobicContact CD1-CB 4.15Å; L249-I325 HydrophobicContact CD1-CG2 3.79Å; Y282-I325 PolarHBondContact OH-N 3.48Å; A314-I325 PolarHBondContact N-O 3.43Å; I325-R327 HydrophobicContact CG2-CG 4.27Å; I325-R327 VanDerWaalsContact CG2-NH1 3.32Å
326	T	97	Very high	97	Very high	62 Å²	62	45 Å²	45	38%	0.38	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.3	168.2	-62.2	0	0	0	0	111.8	L311 V312 D313	L311-T326 HydrophobicContact CD1-CG2 4.09Å; L311-T326 HydrophobicContact CD2-CG2 4Å; L311-T326 HydrophobicContact CG-CG2 3.88Å; V312-T326 CarbonylContact O-C 3.51Å; V312-T326 VanDerWaalsContact O-CA 3.26Å; V312-T326 WeakPolarHBondContact O-CA 3.34Å; D313-T326 HydrophobicContact CB-CG2 4.49Å; D313-T326 VanDerWaalsContact CB-OG1 3.3Å; D313-T326 WeakPolarHBondContact CB-OG1 3.34Å; D313-T326 VanDerWaalsContact CG-OG1 3.25Å; D313-T326 PolarHBondContact OD1-OG1 3Å
327	R	97.7	Very high	97	Very high	93 Å²	93	50.6 Å²	50.6	35%	0.351	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.6	171.2	-68.7	-63.4	-179.2	-86.1	1.9	111	L249 M253 V312 I325 W329	L249-R327 HydrophobicContact CD1-CG 4.23Å; M253-R327 HydrophobicContact CE-CB 3.91Å; M253-R327 HydrophobicContact CE-CG 4.28Å; V312-R327 PolarHBondContact N-O 3.43Å; V312-R327 PolarHBondContact O-N 3.32Å; I325-R327 HydrophobicContact CG2-CG 4.27Å; I325-R327 VanDerWaalsContact CG2-NH1 3.32Å; R327-W329 HydrophobicContact CB-CE3 4.22Å; R327-W329 HydrophobicContact CB-CZ3 4.06Å
328	T	98	Very high	97	Very high	42 Å²	42	52.5 Å²	52.5	26%	0.258	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.8	177.9	-57.1	0	0	0	0	110	L309 V310	L309-T328 HydrophobicContact CB-CG2 3.94Å; L309-T328 HydrophobicContact CD1-CG2 3.94Å; L309-T328 HydrophobicContact CG-CG2 4.42Å; V310-T328 CarbonylContact O-C 3.56Å; V310-T328 WeakPolarHBondContact O-CA 3.44Å; V310-T328 WeakPolarHBondContact O-CG2 3.34Å
329	W	98.3	Very high	97.1	Very high	20 Å²	20	53.7 Å²	53.7	8%	0.076	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158.7	177.8	64.6	95	0	0	0	111.9	M253 T256 L265 L309 V310 V312 R327	M253-W329 HydrophobicContact CE-CD2 4.07Å; M253-W329 HydrophobicContact CE-CE3 3.53Å; M253-W329 HydrophobicContact CE-CZ3 3.83Å; M253-W329 HydrophobicContact CG-CD2 3.68Å; M253-W329 HydrophobicContact CG-CE3 4Å; M253-W329 HydrophobicContact CG-CG 4.08Å; M253-W329 HydrophobicContact CG-CH2 4.24Å; M253-W329 HydrophobicContact CG-CZ2 3.97Å; M253-W329 HydrophobicContact CG-CZ3 4.27Å; T256-W329 PolarHBondContact OG1-NE1 2.88Å; T256-W329 VanDerWaalsContact OG1-NE1 3.1Å; L265-W329 HydrophobicContact CD2-CZ2 4.05Å; L309-W329 WeakPolarHBondContact CA-O 3.46Å; V310-W329 HydrophobicContact CG1-CD2 3.66Å; V310-W329 HydrophobicContact CG1-CE3 4.38Å; V310-W329 HydrophobicContact CG1-CG 3.88Å; V310-W329 HydrophobicContact CG1-CZ2 3.88Å; V310-W329 VanDerWaalsContact CG1-NE1 3.32Å; V310-W329 WeakPolarHBondContact CG1-O 3.48Å; V310-W329 PolarHBondContact N-O 2.89Å; V310-W329 PolarHBondContact O-N 2.95Å; V312-W329 HydrophobicContact CB-CH2 3.71Å; V312-W329 HydrophobicContact CB-CZ3 3.81Å; V312-W329 HydrophobicContact CG2-CH2 3.29Å; V312-W329 HydrophobicContact CG2-CZ2 4.07Å; V312-W329 HydrophobicContact CG2-CZ3 3.8Å; R327-W329 HydrophobicContact CB-CE3 4.22Å; R327-W329 HydrophobicContact CB-CZ3 4.06Å
330	P	98.4	Very high	97.4	Very high	9 Å²	9	56.1 Å²	56.1	6%	0.058	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.1	178.4	30.9	-33.6	0	0	0	110.1	L309 N332 G333 N334 F335	L309-P330 HydrophobicContact CD2-CB 3.94Å; P330-N332 PolarHBondContact O-N 3.26Å; P330-N332 VanDerWaalsContact O-N 3.15Å; P330-G333 PolarHBondContact O-N 3.34Å; P330-N334 WeakPolarHBondContact CB-O 3.5Å; P330-F335 HydrophobicContact CB-CD1 4.33Å; P330-F335 VanDerWaalsContact CD-CZ 3.46Å; P330-F335 HydrophobicContact CG-CD1 4.03Å; P330-F335 HydrophobicContact CG-CD2 4.04Å; P330-F335 HydrophobicContact CG-CE1 4.2Å; P330-F335 HydrophobicContact CG-CE2 4.17Å; P330-F335 HydrophobicContact CG-CG 3.98Å; P330-F335 HydrophobicContact CG-CZ 4.27Å
331	V	98.4	Very high	97.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.7	-175	76.5	0	0	0	0	112.9	T256 Q257 P258 I260 I304 D305 E308	T256-V331 HydrophobicContact CG2-CB 4.2Å; T256-V331 HydrophobicContact CG2-CG2 3.55Å; Q257-V331 CarbonylContact C-O 3.53Å; Q257-V331 WeakPolarHBondContact CA-O 3.33Å; P258-V331 HydrophobicContact CG-CG1 4.31Å; I260-V331 HydrophobicContact CG2-CG2 4Å; I304-V331 HydrophobicContact CB-CG2 4.02Å; I304-V331 HydrophobicContact CG2-CB 3.82Å; I304-V331 HydrophobicContact CG2-CG1 4.21Å; I304-V331 HydrophobicContact CG2-CG2 3.67Å; D305-V331 WeakPolarHBondContact O-CG1 3.24Å; E308-V331 WeakPolarHBondContact O-CG1 3.43Å; E308-V331 PolarHBondContact O-N 3.02Å
332	N	97.8	Very high	97.6	Very high	43 Å²	43	58.3 Å²	58.3	23%	0.23	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	7.5	178.1	67.4	9.5	0	0	0	113.5	P258 N306 P330 N334	P258-N332 HydrophobicContact CG-CB 3.7Å; N306-N332 VanDerWaalsContact OD1-CB 3.25Å; N306-N332 WeakPolarHBondContact OD1-CB 3.21Å; N306-N332 PolarHBondContact OD1-ND2 2.77Å; P330-N332 PolarHBondContact O-N 3.26Å; P330-N332 VanDerWaalsContact O-N 3.15Å; N332-N334 VanDerWaalsContact C-N 3.25Å; N332-N334 PolarHBondContact O-N 2.86Å; N332-N334 PolarHBondContact O-ND2 3Å; N332-N334 VanDerWaalsContact O-ND2 3.14Å; N332-N334 PolarHBondContact OD1-N 3.28Å; N332-N334 PolarHBondContact OD1-O 3.14Å
333	G	97.4	Very high	97.6	Very high	60 Å²	60	58.4 Å²	58.4	62%	0.619	33%	0.325	S	S	*	.	S	Bend	trans	76.3	0.6	-179.1	0	0	0	0	0	115.6	P330	P330-G333 PolarHBondContact O-N 3.34Å
334	N	97.9	Very high	97.6	Very high	118 Å²	118	62.7 Å²	62.7	63%	0.631	34%	0.344	S	S	*	.			trans	-130	118.3	-177.9	-62.9	-80.8	0	0	0	111.2	P330 N332	P330-N334 WeakPolarHBondContact CB-O 3.5Å; N332-N334 VanDerWaalsContact C-N 3.25Å; N332-N334 PolarHBondContact O-N 2.86Å; N332-N334 PolarHBondContact O-ND2 3Å; N332-N334 VanDerWaalsContact O-ND2 3.14Å; N332-N334 PolarHBondContact OD1-N 3.28Å; N332-N334 PolarHBondContact OD1-O 3.14Å
335	F	98.5	Very high	97.7	Very high	70 Å²	70	57.6 Å²	57.6	31%	0.307	32%	0.317	S	S	.	.			trans	-68.7	135.6	172.1	-67.6	-80.1	0	0	0	110.1	L309 P330 Q339 K340 H343	L309-F335 HydrophobicContact CD2-CD1 3.91Å; L309-F335 HydrophobicContact CD2-CE1 3.96Å; P330-F335 HydrophobicContact CB-CD1 4.33Å; P330-F335 VanDerWaalsContact CD-CZ 3.46Å; P330-F335 HydrophobicContact CG-CD1 4.03Å; P330-F335 HydrophobicContact CG-CD2 4.04Å; P330-F335 HydrophobicContact CG-CE1 4.2Å; P330-F335 HydrophobicContact CG-CE2 4.17Å; P330-F335 HydrophobicContact CG-CG 3.98Å; P330-F335 HydrophobicContact CG-CZ 4.27Å; F335-Q339 HydrophobicContact CB-CB 4.31Å; F335-Q339 HydrophobicContact CD1-CB 3.89Å; F335-K340 HydrophobicContact CB-CB 3.8Å; F335-K340 HydrophobicContact CG-CB 4.49Å; F335-H343 HydrophobicContact CE1-CB 3.96Å; F335-H343 AromaticContact CE1-CD2 3.68Å; F335-H343 AromaticContact CE1-CG 3.82Å; F335-H343 HydrophobicContact CZ-CB 4.23Å; F335-H343 AromaticContact CZ-CD2 3.42Å; F335-H343 VanDerWaalsContact CZ-CD2 3.42Å; F335-H343 WeakPolarHBondContact CZ-CD2 3.37Å; F335-H343 AromaticContact CZ-CG 3.62Å; F335-H343 AromaticContact CZ-ND1 3.99Å; F335-H343 AromaticContact CZ-NE2 3.7Å
336	S	98.2	Very high	97.7	Very high	53 Å²	53	61.3 Å²	61.3	37%	0.371	34%	0.337	S	S	.	.			trans	-66.2	163.9	159.1	65.8	0	0	0	0	110.4	Q339 K340	S336-Q339 PolarHBondContact O-N 3.28Å; S336-Q339 WeakPolarHBondContact OG-CG 3.24Å; S336-Q339 PolarHBondContact OG-OE1 3.04Å; S336-K340 WeakPolarHBondContact O-CB 3.49Å; S336-K340 PolarHBondContact O-N 3.33Å
337	V	97.8	Very high	97.7	Very high	118 Å²	118	60.8 Å²	60.8	72%	0.715	33%	0.333	S	S	*	.	H	α-helix	trans	-54.5	-50.8	-179.3	176.8	0	0	0	0	112	Q339 K340 V341	V337-Q339 PolarHBondContact O-N 2.9Å; V337-K340 PolarHBondContact O-N 3.01Å; V337-V341 WeakPolarHBondContact O-CG2 3.38Å; V337-V341 PolarHBondContact O-N 3.15Å; V337-V341 VanDerWaalsContact O-N 3.1Å
338	P	96.2	Very high	97.8	Very high	91 Å²	91	60.3 Å²	60.3	59%	0.591	34%	0.338	S	S	*	.	H	α-helix	trans	-64.5	-39	179.2	-22.2	34.9	0	0	0	113.3	K340 V341 I342	P338-K340 VanDerWaalsContact C-N 3.3Å; P338-K340 PolarHBondContact O-N 2.77Å; P338-V341 PolarHBondContact O-N 2.79Å; P338-I342 WeakPolarHBondContact O-CG1 3.38Å; P338-I342 PolarHBondContact O-N 3.1Å; P338-I342 VanDerWaalsContact O-N 3.16Å
339	Q	97.5	Very high	97.8	Very high	38 Å²	38	58.6 Å²	58.6	18%	0.178	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-39.3	177.9	-67.2	164.8	-22.4	0	0	111.4	G307 L309 F335 S336 V337 H343	G307-Q339 PolarHBondContact O-NE2 3.44Å; L309-Q339 HydrophobicContact CD1-CB 4.25Å; L309-Q339 HydrophobicContact CD1-CG 3.93Å; L309-Q339 HydrophobicContact CD2-CB 4.19Å; L309-Q339 HydrophobicContact CD2-CG 4.03Å; L309-Q339 HydrophobicContact CG-CG 3.98Å; F335-Q339 HydrophobicContact CB-CB 4.31Å; F335-Q339 HydrophobicContact CD1-CB 3.89Å; S336-Q339 PolarHBondContact O-N 3.28Å; S336-Q339 WeakPolarHBondContact OG-CG 3.24Å; S336-Q339 PolarHBondContact OG-OE1 3.04Å; V337-Q339 PolarHBondContact O-N 2.9Å; Q339-H343 WeakPolarHBondContact O-CB 3.4Å; Q339-H343 PolarHBondContact O-N 3.09Å
340	K	98	Very high	97.7	Very high	102 Å²	102	62.1 Å²	62.1	44%	0.443	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-48	178.5	-173	178.8	170.6	-175.7	0	111	F335 S336 V337 P338 I342 H343 E344	F335-K340 HydrophobicContact CB-CB 3.8Å; F335-K340 HydrophobicContact CG-CB 4.49Å; S336-K340 WeakPolarHBondContact O-CB 3.49Å; S336-K340 PolarHBondContact O-N 3.33Å; V337-K340 PolarHBondContact O-N 3.01Å; P338-K340 VanDerWaalsContact C-N 3.3Å; P338-K340 PolarHBondContact O-N 2.77Å; K340-I342 PolarHBondContact O-N 3.37Å; K340-H343 PolarHBondContact O-N 3.35Å; K340-E344 VanDerWaalsContact CE-CD 3.42Å; K340-E344 WeakPolarHBondContact CE-OE1 3.42Å; K340-E344 WeakPolarHBondContact CE-OE2 3.13Å; K340-E344 HydrophobicContact CG-CG 4.36Å; K340-E344 IonicContact NZ-OE1 3.61Å; K340-E344 WeakPolarHBondContact O-CB 3.44Å; K340-E344 WeakPolarHBondContact O-CG 3.48Å; K340-E344 PolarHBondContact O-N 2.84Å
341	V	97.9	Very high	97.7	Very high	38 Å²	38	66.2 Å²	66.2	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-56.3	-53	178.7	170.8	0	0	0	0	110.9	V337 P338 H343 E344 I345 E381	V337-V341 WeakPolarHBondContact O-CG2 3.38Å; V337-V341 PolarHBondContact O-N 3.15Å; V337-V341 VanDerWaalsContact O-N 3.1Å; P338-V341 PolarHBondContact O-N 2.79Å; V341-H343 VanDerWaalsContact C-N 3.34Å; V341-H343 PolarHBondContact O-N 3.08Å; V341-E344 PolarHBondContact O-N 2.9Å; V341-I345 HydrophobicContact CG1-CD1 4.23Å; V341-I345 WeakPolarHBondContact O-CG1 3.35Å; V341-I345 PolarHBondContact O-N 3.28Å; V341-I345 VanDerWaalsContact O-N 3.08Å; V341-E381 HydrophobicContact CG1-CB 4.42Å; V341-E381 HydrophobicContact CG1-CG 3.75Å
342	I	96.3	Very high	97.7	Very high	75 Å²	75	67.7 Å²	67.7	39%	0.385	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-40.9	179.2	-62.3	-60.8	0	0	0	111.8	P338 K340 I345 L346 L378 I383	P338-I342 WeakPolarHBondContact O-CG1 3.38Å; P338-I342 PolarHBondContact O-N 3.1Å; P338-I342 VanDerWaalsContact O-N 3.16Å; K340-I342 PolarHBondContact O-N 3.37Å; I342-I345 HydrophobicContact CD1-CD1 4.49Å; I342-I345 PolarHBondContact O-N 3.33Å; I342-L346 HydrophobicContact CG2-CD1 4.35Å; I342-L346 WeakPolarHBondContact O-CG 3.4Å; I342-L346 PolarHBondContact O-N 3.26Å; I342-L346 VanDerWaalsContact O-N 3.08Å; I342-L378 HydrophobicContact CD1-CD2 4.39Å; I342-I383 HydrophobicContact CD1-CD1 3.59Å
343	H	97.5	Very high	97.7	Very high	58 Å²	58	66.6 Å²	66.6	27%	0.269	37%	0.372	S	S	.	.	H	α-helix	trans	-64.8	-42	179.3	-178.1	-78	0	0	0	111.9	F335 Q339 K340 V341 L346 V347	F335-H343 HydrophobicContact CE1-CB 3.96Å; F335-H343 AromaticContact CE1-CD2 3.68Å; F335-H343 AromaticContact CE1-CG 3.82Å; F335-H343 HydrophobicContact CZ-CB 4.23Å; F335-H343 AromaticContact CZ-CD2 3.42Å; F335-H343 VanDerWaalsContact CZ-CD2 3.42Å; F335-H343 WeakPolarHBondContact CZ-CD2 3.37Å; F335-H343 AromaticContact CZ-CG 3.62Å; F335-H343 AromaticContact CZ-ND1 3.99Å; F335-H343 AromaticContact CZ-NE2 3.7Å; Q339-H343 WeakPolarHBondContact O-CB 3.4Å; Q339-H343 PolarHBondContact O-N 3.09Å; K340-H343 PolarHBondContact O-N 3.35Å; V341-H343 VanDerWaalsContact C-N 3.34Å; V341-H343 PolarHBondContact O-N 3.08Å; H343-L346 PolarHBondContact O-N 3.26Å; H343-V347 VanDerWaalsContact CE1-CG2 3.48Å; H343-V347 WeakPolarHBondContact CE1-CG2 3.34Å; H343-V347 WeakPolarHBondContact O-CG2 3.23Å; H343-V347 PolarHBondContact O-N 3.07Å
344	E	97.9	Very high	97.7	Very high	92 Å²	92	66.9 Å²	66.9	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-64.3	-41.6	177.1	-74.1	175.8	157.9	0	0	111.5	K340 V341 L346 V347 D348	K340-E344 VanDerWaalsContact CE-CD 3.42Å; K340-E344 WeakPolarHBondContact CE-OE1 3.42Å; K340-E344 WeakPolarHBondContact CE-OE2 3.13Å; K340-E344 HydrophobicContact CG-CG 4.36Å; K340-E344 IonicContact NZ-OE1 3.61Å; K340-E344 WeakPolarHBondContact O-CB 3.44Å; K340-E344 WeakPolarHBondContact O-CG 3.48Å; K340-E344 PolarHBondContact O-N 2.84Å; V341-E344 PolarHBondContact O-N 2.9Å; E344-L346 VanDerWaalsContact C-N 3.33Å; E344-L346 PolarHBondContact O-N 3.11Å; E344-V347 PolarHBondContact O-N 2.94Å; E344-D348 PolarHBondContact O-N 3.48Å
345	I	97.8	Very high	97.6	Very high	10 Å²	10	65.7 Å²	65.7	5%	0.051	37%	0.369	C	S	.	.	H	α-helix	trans	-54.6	-49.2	171.2	-67.6	170.4	0	0	0	111.1	V341 I342 V347 D348 V349 H377 L378 E381	V341-I345 HydrophobicContact CG1-CD1 4.23Å; V341-I345 WeakPolarHBondContact O-CG1 3.35Å; V341-I345 PolarHBondContact O-N 3.28Å; V341-I345 VanDerWaalsContact O-N 3.08Å; I342-I345 HydrophobicContact CD1-CD1 4.49Å; I342-I345 PolarHBondContact O-N 3.33Å; I345-V347 VanDerWaalsContact C-N 3.33Å; I345-V347 PolarHBondContact O-N 3.14Å; I345-D348 PolarHBondContact O-N 2.95Å; I345-V349 HydrophobicContact CG2-CG2 4.15Å; I345-V349 WeakPolarHBondContact O-CB 3.43Å; I345-V349 WeakPolarHBondContact O-CG2 3.36Å; I345-V349 PolarHBondContact O-N 3.44Å; I345-H377 HydrophobicContact CB-CB 4.21Å; I345-H377 HydrophobicContact CD1-CB 3.96Å; I345-H377 HydrophobicContact CG1-CB 3.79Å; I345-H377 HydrophobicContact CG2-CB 3.47Å; I345-H377 VanDerWaalsContact CG2-CB 3.47Å; I345-L378 HydrophobicContact CD1-CD2 4.35Å; I345-E381 HydrophobicContact CD1-CG 3.98Å
346	L	97	Very high	97.5	Very high	96 Å²	96	65.4 Å²	65.4	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-38	-178.9	-71.6	175.5	0	0	0	112.3	I342 H343 E344 Q350	I342-L346 HydrophobicContact CG2-CD1 4.35Å; I342-L346 WeakPolarHBondContact O-CG 3.4Å; I342-L346 PolarHBondContact O-N 3.26Å; I342-L346 VanDerWaalsContact O-N 3.08Å; H343-L346 PolarHBondContact O-N 3.26Å; E344-L346 VanDerWaalsContact C-N 3.33Å; E344-L346 PolarHBondContact O-N 3.11Å; L346-Q350 WeakPolarHBondContact O-CB 3.45Å; L346-Q350 PolarHBondContact O-N 3.36Å
347	V	98	Very high	97.4	Very high	50 Å²	50	66 Å²	66	30%	0.303	38%	0.378	S	S	.	.	H	α-helix	trans	-63.1	-45	175.3	168.8	0	0	0	0	110.7	H343 E344 I345 Q350 N351	H343-V347 VanDerWaalsContact CE1-CG2 3.48Å; H343-V347 WeakPolarHBondContact CE1-CG2 3.34Å; H343-V347 WeakPolarHBondContact O-CG2 3.23Å; H343-V347 PolarHBondContact O-N 3.07Å; E344-V347 PolarHBondContact O-N 2.94Å; I345-V347 VanDerWaalsContact C-N 3.33Å; I345-V347 PolarHBondContact O-N 3.14Å; V347-Q350 PolarHBondContact O-N 2.86Å; V347-N351 WeakPolarHBondContact CG1-ND2 3.41Å; V347-N351 WeakPolarHBondContact O-CB 3.35Å; V347-N351 PolarHBondContact O-N 2.94Å; V347-N351 PolarHBondContact O-ND2 3.36Å; V347-N351 VanDerWaalsContact O-ND2 3.12Å
348	D	98.3	Very high	97.3	Very high	84 Å²	84	62.6 Å²	62.6	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-48.5	179.8	-72.7	-12.1	0	0	0	111.5	E344 I345 Q350 N351 S352 H377	E344-D348 PolarHBondContact O-N 3.48Å; I345-D348 PolarHBondContact O-N 2.95Å; D348-Q350 VanDerWaalsContact C-N 3.34Å; D348-Q350 PolarHBondContact O-N 3.1Å; D348-N351 PolarHBondContact O-N 3.35Å; D348-S352 VanDerWaalsContact O-CB 3.32Å; D348-S352 WeakPolarHBondContact O-CB 3.3Å; D348-S352 PolarHBondContact O-N 3.34Å; D348-H377 IonicContact OD2-CE1 3.69Å
349	V	98.3	Very high	97.1	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.03	37%	0.371	C	S	.	.	H	α-helix	trans	-58.5	-46.4	175.6	174.5	0	0	0	0	110.8	I345 N351 S352 C353 M370 E373 I374	I345-V349 HydrophobicContact CG2-CG2 4.15Å; I345-V349 WeakPolarHBondContact O-CB 3.43Å; I345-V349 WeakPolarHBondContact O-CG2 3.36Å; I345-V349 PolarHBondContact O-N 3.44Å; V349-N351 PolarHBondContact O-N 3.26Å; V349-S352 PolarHBondContact O-N 3.14Å; V349-C353 PolarHBondContact O-N 2.87Å; V349-C353 PolarHBondContact O-SG 2.84Å; V349-M370 HydrophobicContact CG1-CB 4.33Å; V349-M370 HydrophobicContact CG1-CG 3.67Å; V349-E373 HydrophobicContact CB-CB 4.38Å; V349-E373 HydrophobicContact CG1-CB 4.18Å; V349-E373 HydrophobicContact CG2-CB 3.78Å; V349-I374 HydrophobicContact CB-CG1 4.41Å; V349-I374 HydrophobicContact CG1-CD1 4.37Å; V349-I374 HydrophobicContact CG1-CG1 3.95Å; V349-I374 HydrophobicContact CG2-CG1 3.77Å
350	Q	97.5	Very high	96.9	Very high	94 Å²	94	69.4 Å²	69.4	44%	0.439	40%	0.395	S	S	.	.	H	α-helix	trans	-60.8	-46.2	179.7	-179.6	178.1	22.6	0	0	111.4	L346 V347 D348 S352 C353 A354	L346-Q350 WeakPolarHBondContact O-CB 3.45Å; L346-Q350 PolarHBondContact O-N 3.36Å; V347-Q350 PolarHBondContact O-N 2.86Å; D348-Q350 VanDerWaalsContact C-N 3.34Å; D348-Q350 PolarHBondContact O-N 3.1Å; Q350-S352 VanDerWaalsContact C-N 3.34Å; Q350-C353 PolarHBondContact O-N 2.95Å; Q350-A354 VanDerWaalsContact O-CB 3.29Å; Q350-A354 WeakPolarHBondContact O-CB 3.43Å; Q350-A354 PolarHBondContact O-N 2.98Å
351	N	98.3	Very high	96.7	Very high	96 Å²	96	68.3 Å²	68.3	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-40.9	178.2	-72.8	-30.9	0	0	0	111.4	V347 D348 V349 A354 S355	V347-N351 WeakPolarHBondContact CG1-ND2 3.41Å; V347-N351 WeakPolarHBondContact O-CB 3.35Å; V347-N351 PolarHBondContact O-N 2.94Å; V347-N351 PolarHBondContact O-ND2 3.36Å; V347-N351 VanDerWaalsContact O-ND2 3.12Å; D348-N351 PolarHBondContact O-N 3.35Å; V349-N351 PolarHBondContact O-N 3.26Å; N351-A354 PolarHBondContact O-N 2.88Å; N351-S355 WeakPolarHBondContact O-CB 3.33Å; N351-S355 PolarHBondContact O-N 2.92Å
352	S	98.1	Very high	96.6	Very high	30 Å²	30	69.1 Å²	69.1	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-59.9	-50.8	176.1	-169.2	0	0	0	0	111	D348 V349 Q350 A354 S355 L356 H369	D348-S352 VanDerWaalsContact O-CB 3.32Å; D348-S352 WeakPolarHBondContact O-CB 3.3Å; D348-S352 PolarHBondContact O-N 3.34Å; V349-S352 PolarHBondContact O-N 3.14Å; Q350-S352 VanDerWaalsContact C-N 3.34Å; S352-A354 PolarHBondContact O-N 3.3Å; S352-S355 PolarHBondContact O-N 3.3Å; S352-S355 PolarHBondContact O-OG 3.38Å; S352-L356 PolarHBondContact O-N 3.31Å; S352-H369 PolarHBondContact OG-NE2 3.41Å
353	C	97.9	Very high	96.5	Very high	20 Å²	20	72.5 Å²	72.5	14%	0.135	42%	0.417	C	S	.	.	H	α-helix	trans	-60.8	-43.5	175.6	-62.5	0	0	0	0	112.5	V349 Q350 S355 L356 A357	V349-C353 PolarHBondContact O-N 2.87Å; V349-C353 PolarHBondContact O-SG 2.84Å; Q350-C353 PolarHBondContact O-N 2.95Å; C353-S355 VanDerWaalsContact C-N 3.28Å; C353-S355 PolarHBondContact O-N 3.09Å; C353-L356 PolarHBondContact O-N 3.29Å; C353-A357 PolarHBondContact O-N 3.26Å
354	A	96.5	Very high	96.5	Very high	66 Å²	66	74.6 Å²	74.6	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-34.5	179.1	0	0	0	0	0	112.4	Q350 N351 S352 L356 A357	Q350-A354 VanDerWaalsContact O-CB 3.29Å; Q350-A354 WeakPolarHBondContact O-CB 3.43Å; Q350-A354 PolarHBondContact O-N 2.98Å; N351-A354 PolarHBondContact O-N 2.88Å; S352-A354 PolarHBondContact O-N 3.3Å; A354-L356 VanDerWaalsContact C-N 3.28Å; A354-L356 PolarHBondContact O-N 3.12Å; A354-A357 PolarHBondContact O-N 3.07Å
355	S	97	Very high	96.4	Very high	94 Å²	94	73.3 Å²	73.3	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-69	-26	177	77.9	0	0	0	0	113.6	N351 S352 C353	N351-S355 WeakPolarHBondContact O-CB 3.33Å; N351-S355 PolarHBondContact O-N 2.92Å; S352-S355 PolarHBondContact O-N 3.3Å; S352-S355 PolarHBondContact O-OG 3.38Å; C353-S355 VanDerWaalsContact C-N 3.28Å; C353-S355 PolarHBondContact O-N 3.09Å
356	L	96.6	Very high	96.4	Very high	64 Å²	64	74.3 Å²	74.3	34%	0.335	43%	0.428	S	S	.	.	H	α-helix	trans	-88.5	-16.2	177.5	-65.4	179.8	0	0	0	113.2	S352 C353 A354 S358 Q361 L366 H369	S352-L356 PolarHBondContact O-N 3.31Å; C353-L356 PolarHBondContact O-N 3.29Å; A354-L356 VanDerWaalsContact C-N 3.28Å; A354-L356 PolarHBondContact O-N 3.12Å; L356-S358 PolarHBondContact O-N 3.47Å; L356-Q361 VanDerWaalsContact O-CG 3.28Å; L356-Q361 WeakPolarHBondContact O-CG 3.48Å; L356-L366 HydrophobicContact CB-CD2 3.75Å; L356-H369 HydrophobicContact CD1-CB 4.29Å; L356-H369 VanDerWaalsContact CD1-CD2 3.43Å; L356-H369 WeakPolarHBondContact CD1-CD2 3.16Å; L356-H369 WeakPolarHBondContact CD1-NE2 3.49Å
357	A	95.6	Very high	96.4	Very high	64 Å²	64	75.1 Å²	75.1	53%	0.529	43%	0.425	S	S	.	.			trans	-62.9	106.8	-176	0	0	0	0	0	111.4	C353 A354 L366	C353-A357 PolarHBondContact O-N 3.26Å; A354-A357 PolarHBondContact O-N 3.07Å; A357-L366 HydrophobicContact CB-CD1 4.22Å
358	S	95.2	Very high	96.4	Very high	47 Å²	47	77.1 Å²	77.1	33%	0.329	43%	0.431	S	S	.	.	S	Bend	trans	-146.8	166.6	-179.3	84.2	0	0	0	0	111.1	L356 E360 Q361	L356-S358 PolarHBondContact O-N 3.47Å; S358-E360 WeakPolarHBondContact CB-OE2 3.47Å; S358-E360 PolarHBondContact O-N 3.33Å; S358-E360 VanDerWaalsContact O-N 3.13Å; S358-E360 PolarHBondContact OG-N 3.49Å; S358-E360 PolarHBondContact OG-OE2 3.38Å; S358-Q361 PolarHBondContact O-N 3.05Å; S358-Q361 VanDerWaalsContact O-N 3.09Å
359	P	91.9	Very high	96.3	Very high	128 Å²	128	75.1 Å²	75.1	83%	0.831	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.8	175.4	-25.7	36.2	0	0	0	114.8
360	E	93.7	Very high	96.3	Very high	144 Å²	144	77.9 Å²	77.9	67%	0.673	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-12	179.6	-57.1	73.1	-155.9	0	0	113.3	S358	S358-E360 WeakPolarHBondContact CB-OE2 3.47Å; S358-E360 PolarHBondContact O-N 3.33Å; S358-E360 VanDerWaalsContact O-N 3.13Å; S358-E360 PolarHBondContact OG-N 3.49Å; S358-E360 PolarHBondContact OG-OE2 3.38Å
361	Q	94.3	Very high	96.3	Very high	80 Å²	80	77.1 Å²	77.1	37%	0.374	43%	0.431	S	S	.	.	S	Bend	trans	-106.9	126.1	-179.6	-66.2	-66.4	-59	0	0	110.3	L356 S358 L366	L356-Q361 VanDerWaalsContact O-CG 3.28Å; L356-Q361 WeakPolarHBondContact O-CG 3.48Å; S358-Q361 PolarHBondContact O-N 3.05Å; S358-Q361 VanDerWaalsContact O-N 3.09Å; Q361-L366 HydrophobicContact CB-CD2 4.4Å
362	S	95.3	Very high	96.1	Very high	54 Å²	54	75.3 Å²	75.3	38%	0.378	43%	0.425	S	S	.	.			trans	-78.4	163.1	171.8	75.4	0	0	0	0	111.1	Q364 D365 L366	S362-Q364 PolarHBondContact O-N 2.84Å; S362-Q364 PolarHBondContact OG-N 2.8Å; S362-D365 VanDerWaalsContact CB-OD2 3.27Å; S362-D365 WeakPolarHBondContact CB-OD2 3.43Å; S362-D365 PolarHBondContact N-OD2 3.35Å; S362-D365 PolarHBondContact O-N 3.17Å; S362-D365 VanDerWaalsContact O-N 3.15Å; S362-D365 PolarHBondContact OG-N 2.96Å; S362-D365 VanDerWaalsContact OG-N 3.15Å; S362-D365 PolarHBondContact OG-OD2 3.19Å; S362-L366 PolarHBondContact O-N 3.08Å
363	L	93.5	Very high	96.1	Very high	147 Å²	147	75.2 Å²	75.2	77%	0.77	42%	0.422	S	S	*	.	H	α-helix	trans	-59.4	-30.6	171.1	-176.2	61.3	0	0	0	111.9	Y367	L363-Y367 WeakPolarHBondContact O-CB 3.3Å; L363-Y367 PolarHBondContact O-N 2.8Å
364	Q	97.1	Very high	96.1	Very high	101 Å²	101	76.3 Å²	76.3	47%	0.472	43%	0.426	S	S	.	.	H	α-helix	trans	-68.8	-38.6	177.3	-170.4	65.3	33.4	0	0	111.6	S362 Y367 H368	S362-Q364 PolarHBondContact O-N 2.84Å; S362-Q364 PolarHBondContact OG-N 2.8Å; Q364-Y367 WeakPolarHBondContact O-CB 3.29Å; Q364-Y367 PolarHBondContact O-N 3.4Å; Q364-H368 PolarHBondContact NE2-CE1 2.99Å; Q364-H368 PolarHBondContact NE2-NE2 3.41Å; Q364-H368 PolarHBondContact O-N 2.76Å; Q364-H368 PolarHBondContact O-ND1 2.99Å
365	D	97.2	Very high	96	Very high	66 Å²	66	74.2 Å²	74.2	35%	0.353	41%	0.41	S	S	.	.	H	α-helix	trans	-64.3	-46	176.6	-56.5	-46.8	0	0	0	110.5	S362 Y367 H368 H369	S362-D365 VanDerWaalsContact CB-OD2 3.27Å; S362-D365 WeakPolarHBondContact CB-OD2 3.43Å; S362-D365 PolarHBondContact N-OD2 3.35Å; S362-D365 PolarHBondContact O-N 3.17Å; S362-D365 VanDerWaalsContact O-N 3.15Å; S362-D365 PolarHBondContact OG-N 2.96Å; S362-D365 VanDerWaalsContact OG-N 3.15Å; S362-D365 PolarHBondContact OG-OD2 3.19Å; D365-Y367 VanDerWaalsContact C-N 3.29Å; D365-Y367 PolarHBondContact O-N 2.9Å; D365-H368 PolarHBondContact O-N 3.42Å; D365-H369 WeakPolarHBondContact O-CB 3.44Å; D365-H369 PolarHBondContact O-N 2.74Å
366	L	97.2	Very high	95.9	Very high	30 Å²	30	75 Å²	75	16%	0.157	40%	0.399	C	S	.	.	H	α-helix	trans	-61.6	-37.5	174.9	-62.7	-179.6	0	0	0	112.1	L356 A357 Q361 S362 H369 M370	L356-L366 HydrophobicContact CB-CD2 3.75Å; A357-L366 HydrophobicContact CB-CD1 4.22Å; Q361-L366 HydrophobicContact CB-CD2 4.4Å; S362-L366 PolarHBondContact O-N 3.08Å; L366-H369 PolarHBondContact O-N 2.97Å; L366-M370 VanDerWaalsContact O-CB 3.3Å; L366-M370 WeakPolarHBondContact O-CB 3.3Å; L366-M370 PolarHBondContact O-N 3.49Å
367	Y	97.4	Very high	95.9	Very high	114 Å²	114	73.9 Å²	73.9	45%	0.447	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-46.1	176.1	176.9	-102.7	0	0	0	112.2	L363 Q364 D365 H369 M370 L371	L363-Y367 WeakPolarHBondContact O-CB 3.3Å; L363-Y367 PolarHBondContact O-N 2.8Å; Q364-Y367 WeakPolarHBondContact O-CB 3.29Å; Q364-Y367 PolarHBondContact O-N 3.4Å; D365-Y367 VanDerWaalsContact C-N 3.29Å; D365-Y367 PolarHBondContact O-N 2.9Å; Y367-H369 VanDerWaalsContact C-N 3.34Å; Y367-H369 PolarHBondContact O-N 3.4Å; Y367-M370 HydrophobicContact CD2-CE 3.64Å; Y367-M370 HydrophobicContact CE2-CE 3.78Å; Y367-M370 WeakPolarHBondContact O-CB 3.43Å; Y367-M370 PolarHBondContact O-N 3.17Å; Y367-L371 HydrophobicContact CD1-CD1 4.06Å; Y367-L371 HydrophobicContact CE1-CD1 3.43Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.43Å; Y367-L371 HydrophobicContact CE1-CG 4.19Å; Y367-L371 HydrophobicContact CE2-CD1 4.37Å; Y367-L371 HydrophobicContact CE2-CD2 4.47Å; Y367-L371 HydrophobicContact CE2-CG 4.36Å; Y367-L371 WeakPolarHBondContact O-CG 3.47Å; Y367-L371 PolarHBondContact O-N 3.14Å
368	H	97.3	Very high	95.9	Very high	91 Å²	91	72.6 Å²	72.6	42%	0.421	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-40.7	175.8	-66	140.5	0	0	0	112.1	Q364 D365 L371 S372	Q364-H368 PolarHBondContact NE2-CE1 2.99Å; Q364-H368 PolarHBondContact NE2-NE2 3.41Å; Q364-H368 PolarHBondContact O-N 2.76Å; Q364-H368 PolarHBondContact O-ND1 2.99Å; D365-H368 PolarHBondContact O-N 3.42Å; H368-L371 PolarHBondContact O-N 3.25Å; H368-S372 PolarHBondContact O-N 3.12Å
369	H	97	Very high	95.9	Very high	43 Å²	43	72.7 Å²	72.7	20%	0.199	37%	0.372	C	S	.	.	H	α-helix	trans	-60	-48.3	174.2	-178.7	69.4	0	0	0	111.7	S352 L356 D365 L366 Y367 L371 S372 E373	S352-H369 PolarHBondContact OG-NE2 3.41Å; L356-H369 HydrophobicContact CD1-CB 4.29Å; L356-H369 VanDerWaalsContact CD1-CD2 3.43Å; L356-H369 WeakPolarHBondContact CD1-CD2 3.16Å; L356-H369 WeakPolarHBondContact CD1-NE2 3.49Å; D365-H369 WeakPolarHBondContact O-CB 3.44Å; D365-H369 PolarHBondContact O-N 2.74Å; L366-H369 PolarHBondContact O-N 2.97Å; Y367-H369 VanDerWaalsContact C-N 3.34Å; Y367-H369 PolarHBondContact O-N 3.4Å; H369-L371 VanDerWaalsContact C-N 3.33Å; H369-L371 PolarHBondContact O-N 3.28Å; H369-S372 PolarHBondContact O-N 3.23Å; H369-S372 VanDerWaalsContact O-N 3.17Å; H369-E373 IonicContact CE1-OE1 2.69Å; H369-E373 PolarHBondContact CE1-OE1 3.22Å; H369-E373 WeakPolarHBondContact NE2-CG 3.48Å; H369-E373 IonicContact NE2-OE1 3.44Å; H369-E373 WeakPolarHBondContact O-CG 3.36Å; H369-E373 PolarHBondContact O-N 3.03Å
370	M	97.9	Very high	96	Very high	62 Å²	62	71.2 Å²	71.2	31%	0.305	37%	0.365	S	S	.	.	H	α-helix	trans	-54.8	-46.9	175.8	-177.3	-166.1	69.5	0	0	111.7	V349 L366 Y367 E373 I374	V349-M370 HydrophobicContact CG1-CB 4.33Å; V349-M370 HydrophobicContact CG1-CG 3.67Å; L366-M370 VanDerWaalsContact O-CB 3.3Å; L366-M370 WeakPolarHBondContact O-CB 3.3Å; L366-M370 PolarHBondContact O-N 3.49Å; Y367-M370 HydrophobicContact CD2-CE 3.64Å; Y367-M370 HydrophobicContact CE2-CE 3.78Å; Y367-M370 WeakPolarHBondContact O-CB 3.43Å; Y367-M370 PolarHBondContact O-N 3.17Å; M370-E373 PolarHBondContact O-N 3.35Å; M370-I374 HydrophobicContact CG-CD1 3.79Å; M370-I374 WeakPolarHBondContact O-CB 3.47Å; M370-I374 VanDerWaalsContact O-CG1 3.25Å; M370-I374 WeakPolarHBondContact O-CG1 3.01Å; M370-I374 PolarHBondContact O-N 3.46Å; M370-I374 HydrophobicContact SD-CD1 4.42Å
371	L	96.8	Very high	96.1	Very high	79 Å²	79	69.2 Å²	69.2	41%	0.414	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-41.3	178.4	-70.3	-179.4	0	0	0	112.4	Y367 H368 H369 G375	Y367-L371 HydrophobicContact CD1-CD1 4.06Å; Y367-L371 HydrophobicContact CE1-CD1 3.43Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.43Å; Y367-L371 HydrophobicContact CE1-CG 4.19Å; Y367-L371 HydrophobicContact CE2-CD1 4.37Å; Y367-L371 HydrophobicContact CE2-CD2 4.47Å; Y367-L371 HydrophobicContact CE2-CG 4.36Å; Y367-L371 WeakPolarHBondContact O-CG 3.47Å; Y367-L371 PolarHBondContact O-N 3.14Å; H368-L371 PolarHBondContact O-N 3.25Å; H369-L371 VanDerWaalsContact C-N 3.33Å; H369-L371 PolarHBondContact O-N 3.28Å; L371-G375 PolarHBondContact O-N 3.3Å
372	S	95.7	Very high	96.1	Very high	57 Å²	57	68.3 Å²	68.3	40%	0.399	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-46.2	176.8	178	0	0	0	0	112	H368 H369 G375 R376	H368-S372 PolarHBondContact O-N 3.12Å; H369-S372 PolarHBondContact O-N 3.23Å; H369-S372 VanDerWaalsContact O-N 3.17Å; S372-G375 PolarHBondContact O-N 2.98Å; S372-R376 PolarHBondContact O-N 3.34Å; S372-R376 PolarHBondContact O-NE 2.86Å; S372-R376 PolarHBondContact OG-NH2 3.09Å
373	E	97.3	Very high	95.9	Very high	28 Å²	28	69.9 Å²	69.9	13%	0.131	37%	0.371	C	S	.	.	H	α-helix	trans	-61.5	-50.3	176.5	-68.8	-69.4	151.4	0	0	111.3	V349 H369 M370 G375 R376 H377	V349-E373 HydrophobicContact CB-CB 4.38Å; V349-E373 HydrophobicContact CG1-CB 4.18Å; V349-E373 HydrophobicContact CG2-CB 3.78Å; H369-E373 IonicContact CE1-OE1 2.69Å; H369-E373 PolarHBondContact CE1-OE1 3.22Å; H369-E373 WeakPolarHBondContact NE2-CG 3.48Å; H369-E373 IonicContact NE2-OE1 3.44Å; H369-E373 WeakPolarHBondContact O-CG 3.36Å; H369-E373 PolarHBondContact O-N 3.03Å; M370-E373 PolarHBondContact O-N 3.35Å; E373-G375 VanDerWaalsContact C-N 3.32Å; E373-G375 PolarHBondContact O-N 3.4Å; E373-R376 VanDerWaalsContact CD-CZ 3.46Å; E373-R376 PolarHBondContact O-N 3.35Å; E373-R376 IonicContact OE1-CZ 2.94Å; E373-R376 IonicContact OE1-NH1 2.76Å; E373-R376 PolarHBondContact OE1-NH1 3.29Å; E373-R376 IonicContact OE1-NH2 2.81Å; E373-R376 PolarHBondContact OE1-NH2 3.3Å; E373-R376 IonicContact OE2-CZ 3.35Å; E373-R376 IonicContact OE2-NH1 3.4Å; E373-R376 PolarHBondContact OE2-NH1 3.21Å; E373-R376 IonicContact OE2-NH2 3.72Å; E373-R376 PolarHBondContact OE2-NH2 3Å; E373-H377 PolarHBondContact O-CD2 2.89Å; E373-H377 PolarHBondContact O-N 3.14Å
374	I	97.2	Very high	95.8	Very high	44 Å²	44	65.9 Å²	65.9	23%	0.226	35%	0.35	C	S	.	.	H	α-helix	trans	-57.1	-47.9	177.3	-69.9	167.9	0	0	0	110.1	V349 M370 R376 H377 L378	V349-I374 HydrophobicContact CB-CG1 4.41Å; V349-I374 HydrophobicContact CG1-CD1 4.37Å; V349-I374 HydrophobicContact CG1-CG1 3.95Å; V349-I374 HydrophobicContact CG2-CG1 3.77Å; M370-I374 HydrophobicContact CG-CD1 3.79Å; M370-I374 WeakPolarHBondContact O-CB 3.47Å; M370-I374 VanDerWaalsContact O-CG1 3.25Å; M370-I374 WeakPolarHBondContact O-CG1 3.01Å; M370-I374 PolarHBondContact O-N 3.46Å; M370-I374 HydrophobicContact SD-CD1 4.42Å; I374-R376 PolarHBondContact O-N 3.28Å; I374-H377 PolarHBondContact O-N 3.22Å; I374-L378 HydrophobicContact CG2-CD1 3.6Å; I374-L378 HydrophobicContact CG2-CG 4.07Å; I374-L378 WeakPolarHBondContact O-CB 3.15Å; I374-L378 VanDerWaalsContact O-CG 3.24Å; I374-L378 WeakPolarHBondContact O-CG 3.33Å; I374-L378 PolarHBondContact O-N 3.36Å
375	G	94.6	Very high	95.5	Very high	21 Å²	21	65.3 Å²	65.3	22%	0.216	36%	0.355	C	S	.	.	H	α-helix	trans	-56.2	-48.8	179.1	0	0	0	0	0	112.4	L371 S372 E373 L378 I379	L371-G375 PolarHBondContact O-N 3.3Å; S372-G375 PolarHBondContact O-N 2.98Å; E373-G375 VanDerWaalsContact C-N 3.32Å; E373-G375 PolarHBondContact O-N 3.4Å; G375-L378 PolarHBondContact O-N 3Å; G375-I379 VanDerWaalsContact O-CG1 3.29Å; G375-I379 WeakPolarHBondContact O-CG1 3.33Å; G375-I379 PolarHBondContact O-N 2.64Å
376	R	95.3	Very high	94.9	Very high	112 Å²	112	67.8 Å²	67.8	42%	0.423	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-45.6	177.8	-82	-177.8	-78.3	108.1	-9.1	113.1	S372 E373 I374 I379 S380	S372-R376 PolarHBondContact O-N 3.34Å; S372-R376 PolarHBondContact O-NE 2.86Å; S372-R376 PolarHBondContact OG-NH2 3.09Å; E373-R376 VanDerWaalsContact CD-CZ 3.46Å; E373-R376 PolarHBondContact O-N 3.35Å; E373-R376 IonicContact OE1-CZ 2.94Å; E373-R376 IonicContact OE1-NH1 2.76Å; E373-R376 PolarHBondContact OE1-NH1 3.29Å; E373-R376 IonicContact OE1-NH2 2.81Å; E373-R376 PolarHBondContact OE1-NH2 3.3Å; E373-R376 IonicContact OE2-CZ 3.35Å; E373-R376 IonicContact OE2-NH1 3.4Å; E373-R376 PolarHBondContact OE2-NH1 3.21Å; E373-R376 IonicContact OE2-NH2 3.72Å; E373-R376 PolarHBondContact OE2-NH2 3Å; I374-R376 PolarHBondContact O-N 3.28Å; R376-I379 PolarHBondContact O-N 2.78Å; R376-S380 WeakPolarHBondContact O-CB 3.4Å; R376-S380 PolarHBondContact O-N 2.92Å
377	H	96.8	Very high	93.6	Very high	40 Å²	40	72.1 Å²	72.1	19%	0.185	39%	0.388	C	S	.	.	H	α-helix	trans	-61.8	-45.3	177.4	-84.7	-76.9	0	0	0	111.7	I345 D348 E373 I374 I379 S380 E381	I345-H377 HydrophobicContact CB-CB 4.21Å; I345-H377 HydrophobicContact CD1-CB 3.96Å; I345-H377 HydrophobicContact CG1-CB 3.79Å; I345-H377 HydrophobicContact CG2-CB 3.47Å; I345-H377 VanDerWaalsContact CG2-CB 3.47Å; D348-H377 IonicContact OD2-CE1 3.69Å; E373-H377 PolarHBondContact O-CD2 2.89Å; E373-H377 PolarHBondContact O-N 3.14Å; I374-H377 PolarHBondContact O-N 3.22Å; H377-I379 VanDerWaalsContact C-N 3.34Å; H377-I379 PolarHBondContact O-N 3.35Å; H377-S380 PolarHBondContact O-N 3.01Å; H377-E381 PolarHBondContact O-N 3.47Å
378	L	95.5	Very high	91.6	Very high	36 Å²	36	73 Å²	73	19%	0.188	40%	0.4	C	S	.	.	H	α-helix	trans	-66.9	-33.7	-179.7	-67.1	178.5	0	0	0	112.8	I342 I345 I374 G375 G382 I383 I384	I342-L378 HydrophobicContact CD1-CD2 4.39Å; I345-L378 HydrophobicContact CD1-CD2 4.35Å; I374-L378 HydrophobicContact CG2-CD1 3.6Å; I374-L378 HydrophobicContact CG2-CG 4.07Å; I374-L378 WeakPolarHBondContact O-CB 3.15Å; I374-L378 VanDerWaalsContact O-CG 3.24Å; I374-L378 WeakPolarHBondContact O-CG 3.33Å; I374-L378 PolarHBondContact O-N 3.36Å; G375-L378 PolarHBondContact O-N 3Å; L378-G382 PolarHBondContact O-N 3.33Å; L378-I383 HydrophobicContact CB-CB 4.46Å; L378-I383 HydrophobicContact CD2-CB 4.15Å; L378-I383 HydrophobicContact CD2-CD1 3.7Å; L378-I383 HydrophobicContact CD2-CG2 4.09Å; L378-I383 PolarHBondContact O-N 2.76Å; L378-I384 HydrophobicContact CB-CD1 3.74Å; L378-I384 HydrophobicContact CB-CG1 3.74Å; L378-I384 HydrophobicContact CB-CG2 4.32Å; L378-I384 HydrophobicContact CD1-CD1 4.33Å; L378-I384 HydrophobicContact CD1-CG2 4.43Å; L378-I384 PolarHBondContact O-N 2.89Å
379	I	94.9	Very high	89.5	Confident	50 Å²	50	77.6 Å²	77.6	26%	0.256	42%	0.419	S	S	.	.	H	α-helix	trans	-67.5	-47	172	-69.7	166.7	0	0	0	110.4	G375 R376 H377 E381 G382 I384 D386	G375-I379 VanDerWaalsContact O-CG1 3.29Å; G375-I379 WeakPolarHBondContact O-CG1 3.33Å; G375-I379 PolarHBondContact O-N 2.64Å; R376-I379 PolarHBondContact O-N 2.78Å; H377-I379 VanDerWaalsContact C-N 3.34Å; H377-I379 PolarHBondContact O-N 3.35Å; I379-E381 VanDerWaalsContact C-N 3.3Å; I379-E381 PolarHBondContact O-N 3.4Å; I379-G382 PolarHBondContact O-N 3.25Å; I379-I384 HydrophobicContact CG1-CD1 4Å; I379-I384 HydrophobicContact CG1-CG1 3.71Å; I379-D386 HydrophobicContact CG2-CB 3.75Å
380	S	94.7	Very high	87.4	Confident	96 Å²	96	83.4 Å²	83.4	67%	0.671	44%	0.444	S	S	*	.	H	α-helix	trans	-59.6	-38.1	-179.7	-175.7	0	0	0	0	112.8	R376 H377 G382	R376-S380 WeakPolarHBondContact O-CB 3.4Å; R376-S380 PolarHBondContact O-N 2.92Å; H377-S380 PolarHBondContact O-N 3.01Å; S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 3.5Å
381	E	95	Very high	85	Confident	102 Å²	102	89.8 Å²	89.8	48%	0.477	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.7	175.8	-67.2	-59.3	139	0	0	113.6	V341 I345 H377 I379 I383	V341-E381 HydrophobicContact CG1-CB 4.42Å; V341-E381 HydrophobicContact CG1-CG 3.75Å; I345-E381 HydrophobicContact CD1-CG 3.98Å; H377-E381 PolarHBondContact O-N 3.47Å; I379-E381 VanDerWaalsContact C-N 3.3Å; I379-E381 PolarHBondContact O-N 3.4Å; E381-I383 HydrophobicContact CB-CD1 3.82Å; E381-I383 HydrophobicContact CB-CG1 3.98Å; E381-I383 PolarHBondContact O-N 3.37Å
382	G	93.6	Very high	82.7	Confident	62 Å²	62	91.6 Å²	91.6	64%	0.639	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	20.2	-179.6	0	0	0	0	0	114.5	L378 I379 S380	L378-G382 PolarHBondContact O-N 3.33Å; I379-G382 PolarHBondContact O-N 3.25Å; S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 3.5Å
383	I	92.5	Very high	79.9	Confident	86 Å²	86	97.4 Å²	97.4	44%	0.441	52%	0.52	S	S	.	.	S	Bend	trans	-77.4	-37.9	-179.9	-63.8	166.5	0	0	0	110.5	I342 L378 E381	I342-I383 HydrophobicContact CD1-CD1 3.59Å; L378-I383 HydrophobicContact CB-CB 4.46Å; L378-I383 HydrophobicContact CD2-CB 4.15Å; L378-I383 HydrophobicContact CD2-CD1 3.7Å; L378-I383 HydrophobicContact CD2-CG2 4.09Å; L378-I383 PolarHBondContact O-N 2.76Å; E381-I383 HydrophobicContact CB-CD1 3.82Å; E381-I383 HydrophobicContact CB-CG1 3.98Å; E381-I383 PolarHBondContact O-N 3.37Å
384	I	92	Very high	79.1	Confident	64 Å²	64	100.9 Å²	100.9	33%	0.328	54%	0.54	S	S	.	.	S	Bend	trans	-120.5	149.2	172.3	69	179.5	0	0	0	109.5	L378 I379	L378-I384 HydrophobicContact CB-CD1 3.74Å; L378-I384 HydrophobicContact CB-CG1 3.74Å; L378-I384 HydrophobicContact CB-CG2 4.32Å; L378-I384 HydrophobicContact CD1-CD1 4.33Å; L378-I384 HydrophobicContact CD1-CG2 4.43Å; L378-I384 PolarHBondContact O-N 2.89Å; I379-I384 HydrophobicContact CG1-CD1 4Å; I379-I384 HydrophobicContact CG1-CG1 3.71Å
385	P	89.3	Confident	78.1	Confident	89 Å²	89	103.8 Å²	103.8	58%	0.578	56%	0.556	S	S	*	*			trans	-66.6	143.2	178.6	27.5	-34.3	0	0	0	111.1	Q387	P385-Q387 VanDerWaalsContact C-N 3.34Å; P385-Q387 HydrophobicContact CB-CG 4.34Å; P385-Q387 HydrophobicContact CG-CG 4.16Å; P385-Q387 PolarHBondContact O-N 2.74Å
386	D	85.1	Confident	77.2	Confident	117 Å²	117	108.4 Å²	108.4	63%	0.626	58%	0.575	S	S	*	*			trans	-70.8	93.5	163.9	-163.9	-0.2	0	0	0	108.3	I379	I379-D386 HydrophobicContact CG2-CB 3.75Å
387	Q	70	Confident	76.2	Confident	122 Å²	122	108.2 Å²	108.2	57%	0.57	58%	0.584	S	S	*	*			trans	-93.9	119.8	166.9	-62.2	-175.3	8.3	0	0	105.7	P385 K389	P385-Q387 VanDerWaalsContact C-N 3.34Å; P385-Q387 HydrophobicContact CB-CG 4.34Å; P385-Q387 HydrophobicContact CG-CG 4.16Å; P385-Q387 PolarHBondContact O-N 2.74Å; Q387-K389 PolarHBondContact O-N 3.36Å
388	D	55.1	Low	74.9	Confident	132 Å²	132	112.5 Å²	112.5	71%	0.706	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	19.1	-179.3	-74.8	-51.5	0	0	0	116.7
389	K	54.4	Low	73.5	Confident	187 Å²	187	117.6 Å²	117.6	81%	0.813	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.4	10.3	-167.2	-65.9	-168	179.1	-178.1	0	116.8	Q387 Y391	Q387-K389 PolarHBondContact O-N 3.36Å; K389-Y391 PolarHBondContact O-N 3.05Å
390	F	52.9	Low	72	Confident	166 Å²	166	122.4 Å²	122.4	73%	0.728	66%	0.664	S	S	*	*			trans	-88	38.6	160.6	-75.7	-79.3	0	0	0	111.7	V392	F390-V392 VanDerWaalsContact C-N 3.28Å; F390-V392 PolarHBondContact O-N 3.08Å
391	Y	46.8	Very low	70.2	Confident	196 Å²	196	124.5 Å²	124.5	77%	0.769	66%	0.664	S	S	*	*			trans	-74.1	91	159.9	-73.1	-79.7	0	0	0	107.5	K389 S393	K389-Y391 PolarHBondContact O-N 3.05Å; Y391-S393 PolarHBondContact O-N 3.15Å; Y391-S393 VanDerWaalsContact O-N 3.12Å
392	V	47.6	Very low	68.1	Low	116 Å²	116	126.3 Å²	126.3	70%	0.703	68%	0.679	S	S	*	*			trans	-73.2	91.1	155.4	-174.7	0	0	0	0	104.9	F390	F390-V392 VanDerWaalsContact C-N 3.28Å; F390-V392 PolarHBondContact O-N 3.08Å
393	S	38.5	Very low	65.8	Low	179 Å²	179	132.2 Å²	132.2	100%	1.252	68%	0.683	S	S	*	*			trans	-64.8	0	169.1	59.5	0	0	0	0	111.3	Y391	Y391-S393 PolarHBondContact O-N 3.15Å; Y391-S393 VanDerWaalsContact O-N 3.12Å

Retrieved 393 of 393 residues in 275.7 ms (Link to these results)

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