A0A087X6A5_POEFO Loading...

Prolyl 3-hydroxylase OGFOD1

Prolyl 3-hydroxylase that catalyzes 3-hydroxylation of 'Pro-62' of small ribosomal subunit uS12 (RPS23), thereby regulating protein translation termination efficiency. Involved in stress granule formation.

AlphaFold DB , UniProt , Accession A0A087X6A5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 520 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	34.6	Very low	32.1	Very low	237 Å²	237	162.3 Å²	162.3	100%	1.167	89%	0.894	S	S	*	*				0	114.7	0	-77.3	-105.7	-97.4	0	0	107.8
2	S	33.1	Very low	31.8	Very low	121 Å²	121	162.2 Å²	162.2	85%	0.846	89%	0.891	S	S	*	*			trans	55.1	136.6	169.6	-68.3	0	0	0	0	119.8
3	C	31.8	Very low	31.8	Very low	126 Å²	126	157.4 Å²	157.4	85%	0.851	88%	0.876	S	S	*	*			cis	-167.1	143.4	-17.9	-126.5	0	0	0	0	106.6
4	K	34	Very low	32.1	Very low	207 Å²	207	156.4 Å²	156.4	90%	0.9	87%	0.869	S	S	*	*			trans	-69	148.9	-179	-72.9	169.4	169.4	174.8	0	112.8
5	R	32.3	Very low	32.2	Very low	254 Å²	254	159.3 Å²	159.3	96%	0.958	87%	0.868	S	S	*	*				-160.1	130.3	124.2	-124.5	173.1	178.5	170.3	-1.2	111.9
6	A	32.8	Very low	32.3	Very low	94 Å²	94	161.2 Å²	161.2	78%	0.777	87%	0.866	S	S	*	*			trans	-83.7	141	-176.8	0	0	0	0	0	111.6
7	Q	31.5	Very low	32.5	Very low	197 Å²	197	163.8 Å²	163.8	92%	0.921	87%	0.867	S	S	*	*			trans	-114.2	114.1	155.3	-80.6	-178.5	-30.5	0	0	106.4
8	N	29.9	Very low	32.7	Very low	160 Å²	160	165.8 Å²	165.8	86%	0.856	87%	0.868	S	S	*	*			trans	-94.8	123.1	168.1	-108.3	8.7	0	0	0	107.6
9	E	32.8	Very low	32.9	Very low	192 Å²	192	168.3 Å²	168.3	90%	0.897	87%	0.87	S	S	*	*			trans	-64.4	135.3	160.6	-66.3	176.5	139.5	0	0	109.3
10	S	29.8	Very low	33.1	Very low	113 Å²	113	171.7 Å²	171.7	79%	0.79	87%	0.871	S	S	*	*			trans	-141.5	104.3	160.4	59.6	0	0	0	0	108.1	D12	S10-D12 PolarHBondContact O-N 3.37Å
11	G	31	Very low	33.5	Very low	84 Å²	84	168.6 Å²	168.6	87%	0.866	87%	0.866	S	S	*	*			trans	-64.6	125.8	165.4	0	0	0	0	0	109.4
12	D	27.8	Very low	34.4	Very low	161 Å²	161	161.4 Å²	161.4	86%	0.861	84%	0.839	S	S	*	*			trans	-103.8	105.7	170.3	-163.8	11.8	0	0	0	108.1	S10	S10-D12 PolarHBondContact O-N 3.37Å
13	S	31.8	Very low	36.2	Very low	100 Å²	100	161.2 Å²	161.2	70%	0.699	83%	0.832	S	S	*	*			trans	-82	113.5	173.2	57.7	0	0	0	0	109.3	K15	S13-K15 PolarHBondContact O-N 2.97Å
14	D	36.8	Very low	38.6	Very low	144 Å²	144	158.7 Å²	158.7	77%	0.77	81%	0.808	S	S	*	*			trans	-14.9	112.9	158.2	-102.3	-44.6	0	0	0	115.8
15	K	32.8	Very low	41	Very low	199 Å²	199	153.8 Å²	153.8	87%	0.865	80%	0.795	S	S	*	*			trans	-135.6	75.8	150.6	-77.1	-170.3	-179.6	172.5	0	110.7	S13 K17	S13-K15 PolarHBondContact O-N 2.97Å; K15-K17 PolarHBondContact O-N 2.73Å
16	K	33.7	Very low	43.6	Very low	190 Å²	190	142.5 Å²	142.5	83%	0.826	76%	0.755	S	S	*	*			trans	-58.8	102	154.9	-90.3	175.8	175.5	167.8	0	109.1	K18	K16-K18 PolarHBondContact O-N 3.48Å
17	K	36.9	Very low	46.4	Very low	206 Å²	206	142.4 Å²	142.4	90%	0.896	74%	0.741	S	S	*	*			trans	-60.7	102.2	161.1	-89.8	-179.9	174.8	175.9	0	107.9	K15 K19	K15-K17 PolarHBondContact O-N 2.73Å; K17-K19 PolarHBondContact O-N 2.98Å
18	K	34.9	Very low	49.3	Very low	200 Å²	200	133.1 Å²	133.1	87%	0.87	70%	0.698	S	S	*	*			trans	-56.2	107.3	163.6	-100.1	178.4	172.7	175.5	0	107.9	K16 R20	K16-K18 PolarHBondContact O-N 3.48Å; K18-R20 VanDerWaalsContact C-N 3.32Å; K18-R20 PolarHBondContact O-N 3.24Å
19	K	36.3	Very low	52.1	Low	212 Å²	212	125.7 Å²	125.7	92%	0.922	66%	0.658	S	S	*	*			trans	-64.5	97.1	162.7	-139.9	179.3	-174.6	-175.9	0	105.6	K17 S21	K17-K19 PolarHBondContact O-N 2.98Å; K19-S21 PolarHBondContact O-N 3.11Å
20	R	37.3	Very low	54.7	Low	236 Å²	236	118.2 Å²	118.2	89%	0.891	63%	0.633	S	S	*	*			trans	-65.5	103.2	167.9	-103.2	178.9	163.5	175	-5.9	105.5	K18 S22	K18-R20 VanDerWaalsContact C-N 3.32Å; K18-R20 PolarHBondContact O-N 3.24Å; R20-S22 PolarHBondContact O-N 2.86Å
21	S	42.3	Very low	57.4	Low	107 Å²	107	113.4 Å²	113.4	75%	0.748	60%	0.599	S	S	*	*			trans	-65	89.6	160.2	170.9	0	0	0	0	106.1	K19 V23	K19-S21 PolarHBondContact O-N 3.11Å; S21-V23 PolarHBondContact O-N 3.32Å
22	S	53.7	Low	60.1	Low	86 Å²	86	109.9 Å²	109.9	60%	0.601	56%	0.561	S	S	*	*			trans	-64.6	112.8	162.9	46.8	0	0	0	0	105.9	R20 E24	R20-S22 PolarHBondContact O-N 2.86Å; S22-E24 PolarHBondContact O-N 3.16Å
23	V	69.3	Low	62.8	Low	117 Å²	117	107.1 Å²	107.1	71%	0.709	54%	0.543	S	S	*	.			trans	-66.2	115.5	166.9	177.5	0	0	0	0	104.9	S21 T25	S21-V23 PolarHBondContact O-N 3.32Å; V23-T25 PolarHBondContact O-N 3.19Å
24	E	83.8	Confident	65.7	Low	74 Å²	74	106.4 Å²	106.4	35%	0.346	53%	0.528	S	S	.	.			trans	-61.6	130.6	172.7	-74.6	-57.6	150.6	0	0	108.5	S22 F77 P112 A116	S22-E24 PolarHBondContact O-N 3.16Å; E24-F77 HydrophobicContact CB-CE2 4.49Å; E24-P112 HydrophobicContact CB-CB 4.37Å; E24-P112 HydrophobicContact CG-CB 3.83Å; E24-A116 HydrophobicContact CB-CB 4.15Å; E24-A116 WeakPolarHBondContact O-CB 3.48Å
25	T	82.6	Confident	68.4	Low	103 Å²	103	105.5 Å²	105.5	63%	0.632	52%	0.519	S	S	*	.			trans	-111.3	138.3	179.3	52.7	0	0	0	0	108.7	V23	V23-T25 PolarHBondContact O-N 3.19Å
26	V	88.4	Confident	71.3	Confident	18 Å²	18	103.3 Å²	103.3	11%	0.109	51%	0.512	C	S	.	.			trans	-117.5	129.2	178.3	61.8	0	0	0	0	109.7	L28 L72 F77 A116 A120	V26-L28 HydrophobicContact CG2-CD2 4.37Å; V26-L72 HydrophobicContact CG2-CD2 3.81Å; V26-F77 HydrophobicContact CB-CD1 4.37Å; V26-F77 HydrophobicContact CB-CD2 4.38Å; V26-F77 HydrophobicContact CB-CE1 3.93Å; V26-F77 HydrophobicContact CB-CE2 3.93Å; V26-F77 HydrophobicContact CB-CZ 3.7Å; V26-F77 HydrophobicContact CG1-CZ 4.43Å; V26-F77 HydrophobicContact CG2-CD1 3.8Å; V26-F77 HydrophobicContact CG2-CE1 3.54Å; V26-F77 HydrophobicContact CG2-CE2 4.39Å; V26-F77 HydrophobicContact CG2-CG 4.36Å; V26-F77 HydrophobicContact CG2-CZ 3.87Å; V26-A116 HydrophobicContact CG1-CB 4.4Å; V26-A116 WeakPolarHBondContact CG1-O 3.45Å; V26-A120 HydrophobicContact CG1-CB 3.26Å
27	D	90.6	Very high	74.3	Confident	91 Å²	91	94.2 Å²	94.2	49%	0.487	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-101.6	127.6	173.2	-60.2	-41.5	0	0	0	108	S73	D27-S73 WeakPolarHBondContact O-CB 3.19Å; D27-S73 PolarHBondContact O-N 3.03Å
28	L	91.8	Very high	77.1	Confident	2 Å²	2	85.7 Å²	85.7	1%	0.01	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-87	172.3	176.2	-45.3	173.7	0	0	0	110.2	V26 G30 F71 L72 S73 A120 R124 F125	V26-L28 HydrophobicContact CG2-CD2 4.37Å; L28-G30 PolarHBondContact O-N 3.44Å; L28-F71 CarbonylContact C-O 3.45Å; L28-F71 WeakPolarHBondContact CA-O 3.32Å; L28-F71 HydrophobicContact CB-CE2 4.36Å; L28-F71 HydrophobicContact CB-CZ 4.47Å; L28-F71 HydrophobicContact CD1-CE2 4.19Å; L28-F71 HydrophobicContact CD1-CZ 3.82Å; L28-F71 HydrophobicContact CD2-CD1 4.31Å; L28-F71 HydrophobicContact CD2-CE1 3.64Å; L28-F71 HydrophobicContact CD2-CE2 4.33Å; L28-F71 HydrophobicContact CD2-CZ 3.65Å; L28-F71 HydrophobicContact CG-CZ 4.18Å; L28-L72 HydrophobicContact CD2-CD2 4.07Å; L28-S73 PolarHBondContact O-OG 2.96Å; L28-A120 HydrophobicContact CD2-CB 4.19Å; L28-R124 HydrophobicContact CD1-CG 4.3Å; L28-R124 VanDerWaalsContact CD1-NE 3.26Å; L28-R124 VanDerWaalsContact CG-NH2 3.29Å; L28-F125 HydrophobicContact CD1-CB 3.83Å; L28-F125 HydrophobicContact CD1-CD2 4.18Å; L28-F125 HydrophobicContact CD1-CG 4.3Å
29	C	90.5	Very high	80	Confident	4 Å²	4	81.2 Å²	81.2	3%	0.027	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-49.2	131	177.1	176	0	0	0	0	111.7	S31 V32 I68 F71	C29-S31 PolarHBondContact O-N 3.09Å; C29-S31 VanDerWaalsContact O-N 3.16Å; C29-V32 HydrophobicContact CB-CG2 4.34Å; C29-V32 WeakPolarHBondContact O-CB 3.33Å; C29-V32 PolarHBondContact O-N 3.39Å; C29-I68 HydrophobicContact CB-CG2 4.02Å; C29-F71 PolarHBondContact N-O 3.18Å
30	G	86.1	Confident	82.9	Confident	35 Å²	35	72.3 Å²	72.3	36%	0.361	38%	0.384	S	S	.	.	H	α-helix	trans	-57.8	-30.6	-178.8	0	0	0	0	0	113.7	L28 V32 E33 E34	L28-G30 PolarHBondContact O-N 3.44Å; G30-V32 PolarHBondContact O-N 2.99Å; G30-E33 PolarHBondContact O-N 2.98Å; G30-E34 PolarHBondContact O-N 2.84Å
31	S	86.8	Confident	85.8	Confident	13 Å²	13	61.1 Å²	61.1	9%	0.091	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-31.2	175.9	-50.2	0	0	0	0	112.4	C29 V37	C29-S31 PolarHBondContact O-N 3.09Å; C29-S31 VanDerWaalsContact O-N 3.16Å; S31-V37 WeakPolarHBondContact O-CB 3.38Å; S31-V37 WeakPolarHBondContact O-CG1 3.18Å
32	V	87.4	Confident	88.4	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	32%	0.321	C	S	.	.	H	α-helix	trans	-79.1	-23.8	178.3	-176.8	0	0	0	0	111.5	C29 G30 L56 I68 F125 W128	C29-V32 HydrophobicContact CB-CG2 4.34Å; C29-V32 WeakPolarHBondContact O-CB 3.33Å; C29-V32 PolarHBondContact O-N 3.39Å; G30-V32 PolarHBondContact O-N 2.99Å; V32-L56 HydrophobicContact CG2-CD1 4.49Å; V32-I68 HydrophobicContact CG2-CD1 3.91Å; V32-I68 HydrophobicContact CG2-CG2 4.12Å; V32-F125 HydrophobicContact CG1-CD2 3.9Å; V32-F125 HydrophobicContact CG1-CE2 4.02Å; V32-W128 HydrophobicContact CG1-CD2 3.73Å; V32-W128 HydrophobicContact CG1-CE3 4.29Å; V32-W128 HydrophobicContact CG1-CG 3.8Å; V32-W128 HydrophobicContact CG1-CZ2 4.36Å; V32-W128 PolarHBondContact O-NE1 3.22Å
33	E	85.1	Confident	90.5	Very high	104 Å²	104	60.9 Å²	60.9	49%	0.486	32%	0.318	S	S	.	.	H	α-helix	trans	-86.7	-16.5	-180	-60.2	-171.6	162.6	0	0	113.1	G30 E35 R124	G30-E33 PolarHBondContact O-N 2.98Å; E33-E35 PolarHBondContact O-N 3.32Å; E33-R124 IonicContact OE1-CZ 3.95Å; E33-R124 IonicContact OE1-NH1 2.77Å; E33-R124 PolarHBondContact OE1-NH1 3.06Å; E33-R124 IonicContact OE1-NH2 3.06Å; E33-R124 PolarHBondContact OE1-NH2 3.01Å
34	E	92.1	Very high	91.9	Very high	84 Å²	84	55.6 Å²	55.6	39%	0.393	29%	0.286	S	S	.	.			trans	-76.2	114.5	177.3	-73	179.5	-152.9	0	0	111.7	G30 E36 V37 K38 K53	G30-E34 PolarHBondContact O-N 2.84Å; E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 2.97Å; E34-V37 HydrophobicContact CB-CB 3.99Å; E34-V37 HydrophobicContact CB-CG2 3.58Å; E34-V37 HydrophobicContact CG-CG2 4.39Å; E34-V37 WeakPolarHBondContact O-CA 3.49Å; E34-V37 WeakPolarHBondContact O-CB 3.3Å; E34-V37 PolarHBondContact O-N 3.1Å; E34-V37 VanDerWaalsContact OE2-CG2 3.3Å; E34-V37 WeakPolarHBondContact OE2-CG2 3.41Å; E34-K38 PolarHBondContact O-N 2.94Å; E34-K53 WeakPolarHBondContact OE2-CE 3.14Å; E34-K53 IonicContact OE2-NZ 2.73Å; E34-K53 PolarHBondContact OE2-NZ 3.3Å
35	E	93.6	Very high	92.4	Very high	125 Å²	125	52.5 Å²	52.5	58%	0.584	27%	0.272	S	S	*	.	H	α-helix	trans	-59	-34	178.9	-77.8	-64.1	135.6	0	0	113.3	E33 V37 K38 Q39	E33-E35 PolarHBondContact O-N 3.32Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 3.12Å; E35-K38 PolarHBondContact O-N 2.98Å; E35-K38 IonicContact OE1-NZ 3.82Å; E35-K38 PolarHBondContact OE1-NZ 3.2Å; E35-K38 VanDerWaalsContact OE2-CE 3.27Å; E35-K38 WeakPolarHBondContact OE2-CE 3.32Å; E35-K38 IonicContact OE2-NZ 3.44Å; E35-K38 PolarHBondContact OE2-NZ 2.95Å; E35-Q39 WeakPolarHBondContact O-CB 3.24Å; E35-Q39 PolarHBondContact O-N 3.4Å
36	E	94.9	Very high	93	Very high	153 Å²	153	52 Å²	52	72%	0.715	27%	0.272	S	S	*	.	H	α-helix	trans	-62.7	-39.9	173.9	-65.8	176.3	-179.7	0	0	111.9	E34 A40	E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 2.97Å; E36-A40 WeakPolarHBondContact O-CB 3.39Å; E36-A40 PolarHBondContact O-N 2.96Å
37	V	95.1	Very high	93.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-46.1	176.2	179.3	0	0	0	0	109.7	S31 E34 E35 Q39 A40 V41 Y51 K53 L56	S31-V37 WeakPolarHBondContact O-CB 3.38Å; S31-V37 WeakPolarHBondContact O-CG1 3.18Å; E34-V37 HydrophobicContact CB-CB 3.99Å; E34-V37 HydrophobicContact CB-CG2 3.58Å; E34-V37 HydrophobicContact CG-CG2 4.39Å; E34-V37 WeakPolarHBondContact O-CA 3.49Å; E34-V37 WeakPolarHBondContact O-CB 3.3Å; E34-V37 PolarHBondContact O-N 3.1Å; E34-V37 VanDerWaalsContact OE2-CG2 3.3Å; E34-V37 WeakPolarHBondContact OE2-CG2 3.41Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 3.12Å; V37-Q39 VanDerWaalsContact C-N 3.29Å; V37-Q39 PolarHBondContact O-N 3.36Å; V37-A40 PolarHBondContact O-N 2.84Å; V37-V41 HydrophobicContact CG1-CG2 3.99Å; V37-V41 WeakPolarHBondContact O-CB 3.49Å; V37-V41 VanDerWaalsContact O-CG2 3.25Å; V37-V41 WeakPolarHBondContact O-CG2 3.43Å; V37-V41 PolarHBondContact O-N 3.4Å; V37-Y51 HydrophobicContact CG1-CE1 4.17Å; V37-K53 HydrophobicContact CG2-CD 3.76Å; V37-K53 HydrophobicContact CG2-CG 4.3Å; V37-L56 HydrophobicContact CG1-CD1 4.41Å
38	K	96.1	Very high	93.7	Very high	26 Å²	26	57.7 Å²	57.7	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	-55.1	-46.8	177.5	-171.2	178.5	84.2	-171.1	0	111.2	E34 E35 V41 K42 W128 D131 V132	E34-K38 PolarHBondContact O-N 2.94Å; E35-K38 PolarHBondContact O-N 2.98Å; E35-K38 IonicContact OE1-NZ 3.82Å; E35-K38 PolarHBondContact OE1-NZ 3.2Å; E35-K38 VanDerWaalsContact OE2-CE 3.27Å; E35-K38 WeakPolarHBondContact OE2-CE 3.32Å; E35-K38 IonicContact OE2-NZ 3.44Å; E35-K38 PolarHBondContact OE2-NZ 2.95Å; K38-V41 PolarHBondContact O-N 3.06Å; K38-K42 WeakPolarHBondContact O-CB 3.36Å; K38-K42 PolarHBondContact O-N 3.21Å; K38-W128 VanDerWaalsContact CD-CD1 3.46Å; K38-W128 HydrophobicContact CD-CG 4.17Å; K38-W128 HydrophobicContact CG-CG 4.41Å; K38-D131 HydrophobicContact CD-CB 4.04Å; K38-D131 WeakPolarHBondContact CE-OD2 3.41Å; K38-D131 IonicContact NZ-OD2 3.35Å; K38-D131 PolarHBondContact NZ-OD2 2.84Å; K38-V132 HydrophobicContact CG-CG2 3.98Å
39	Q	97	Very high	94	Very high	107 Å²	107	60.9 Å²	60.9	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-65.7	-41.1	-179.7	-173.3	57.3	37.6	0	0	112.2	E35 V37 K42 E43	E35-Q39 WeakPolarHBondContact O-CB 3.24Å; E35-Q39 PolarHBondContact O-N 3.4Å; V37-Q39 VanDerWaalsContact C-N 3.29Å; V37-Q39 PolarHBondContact O-N 3.36Å; Q39-K42 PolarHBondContact O-N 3.17Å; Q39-E43 PolarHBondContact O-N 3.26Å
40	A	97.3	Very high	94.3	Very high	25 Å²	25	66 Å²	66	21%	0.207	34%	0.335	C	S	.	.	H	α-helix	trans	-67.5	-40.9	177.3	0	0	0	0	0	112.4	E36 V37 E43 A44 Y51	E36-A40 WeakPolarHBondContact O-CB 3.39Å; E36-A40 PolarHBondContact O-N 2.96Å; V37-A40 PolarHBondContact O-N 2.84Å; A40-E43 PolarHBondContact O-N 3.45Å; A40-A44 VanDerWaalsContact O-CB 3.23Å; A40-A44 WeakPolarHBondContact O-CB 3.35Å; A40-A44 PolarHBondContact O-N 2.89Å; A40-Y51 HydrophobicContact CB-CD2 4.12Å; A40-Y51 HydrophobicContact CB-CE1 4.33Å; A40-Y51 HydrophobicContact CB-CE2 3.45Å; A40-Y51 VanDerWaalsContact CB-CE2 3.45Å
41	V	97.3	Very high	94.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-43.2	175.2	174.1	0	0	0	0	110.6	V37 K38 E43 A44 W45 Y51 L56 L58 W128 V132	V37-V41 HydrophobicContact CG1-CG2 3.99Å; V37-V41 WeakPolarHBondContact O-CB 3.49Å; V37-V41 VanDerWaalsContact O-CG2 3.25Å; V37-V41 WeakPolarHBondContact O-CG2 3.43Å; V37-V41 PolarHBondContact O-N 3.4Å; K38-V41 PolarHBondContact O-N 3.06Å; V41-E43 PolarHBondContact O-N 2.69Å; V41-A44 PolarHBondContact O-N 2.76Å; V41-W45 HydrophobicContact CG1-CE3 4.49Å; V41-W45 VanDerWaalsContact O-CB 3.27Å; V41-W45 WeakPolarHBondContact O-CB 3.36Å; V41-W45 PolarHBondContact O-N 3.34Å; V41-Y51 HydrophobicContact CG2-CD1 3.63Å; V41-Y51 HydrophobicContact CG2-CE1 3.6Å; V41-L56 HydrophobicContact CG2-CD1 4.14Å; V41-L56 HydrophobicContact CG2-CD2 3.54Å; V41-L58 HydrophobicContact CG1-CD2 4.34Å; V41-W128 HydrophobicContact CG1-CH2 4.15Å; V41-W128 HydrophobicContact CG1-CZ2 4.36Å; V41-V132 HydrophobicContact CG1-CG1 3.85Å; V41-V132 HydrophobicContact CG1-CG2 4.23Å
42	K	97.2	Very high	95.4	Very high	75 Å²	75	69 Å²	69	33%	0.326	34%	0.344	S	S	.	.	H	α-helix	trans	-56.7	-50	174.6	177.2	174.5	-172.5	147.9	0	112.2	K38 Q39 W45 S46 D131	K38-K42 WeakPolarHBondContact O-CB 3.36Å; K38-K42 PolarHBondContact O-N 3.21Å; Q39-K42 PolarHBondContact O-N 3.17Å; K42-W45 PolarHBondContact O-N 2.96Å; K42-S46 PolarHBondContact O-N 3.03Å; K42-S46 VanDerWaalsContact O-N 3.08Å; K42-D131 VanDerWaalsContact CD-O 3.28Å; K42-D131 WeakPolarHBondContact CD-O 3.39Å; K42-D131 VanDerWaalsContact CE-O 3.26Å; K42-D131 WeakPolarHBondContact CE-O 3.49Å; K42-D131 PolarHBondContact NZ-O 3.46Å
43	E	97.8	Very high	95.8	Very high	114 Å²	114	72.1 Å²	72.1	53%	0.533	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-45.6	178.3	-177.3	173.3	-176.4	0	0	111.2	Q39 A40 V41 W45 S46 N47	Q39-E43 PolarHBondContact O-N 3.26Å; A40-E43 PolarHBondContact O-N 3.45Å; V41-E43 PolarHBondContact O-N 2.69Å; E43-W45 PolarHBondContact O-N 2.83Å; E43-S46 PolarHBondContact O-N 2.75Å; E43-N47 WeakPolarHBondContact CG-ND2 3.23Å; E43-N47 VanDerWaalsContact O-CB 3.31Å; E43-N47 WeakPolarHBondContact O-CB 3.31Å; E43-N47 VanDerWaalsContact O-CG 3.29Å; E43-N47 PolarHBondContact O-N 3.36Å; E43-N47 PolarHBondContact O-ND2 3.4Å
44	A	97.5	Very high	96.2	Very high	5 Å²	5	70.4 Å²	70.4	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-40.5	179.2	0	0	0	0	0	112.7	A40 V41 N47 R48 T49 Y51 L58	A40-A44 VanDerWaalsContact O-CB 3.23Å; A40-A44 WeakPolarHBondContact O-CB 3.35Å; A40-A44 PolarHBondContact O-N 2.89Å; V41-A44 PolarHBondContact O-N 2.76Å; A44-N47 PolarHBondContact O-N 2.97Å; A44-R48 WeakPolarHBondContact O-CA 3.41Å; A44-R48 PolarHBondContact O-N 3.06Å; A44-T49 WeakPolarHBondContact CA-OG1 3.29Å; A44-T49 PolarHBondContact O-N 2.78Å; A44-Y51 HydrophobicContact CB-CG 4.35Å; A44-L58 HydrophobicContact CB-CD2 3.78Å
45	W	96.4	Very high	96.4	Very high	9 Å²	9	69.3 Å²	69.3	3%	0.034	36%	0.364	C	S	.	.	H	α-helix	trans	-63.6	-44.4	176.9	-161.2	-67.2	0	0	0	111.8	V41 K42 E43 R48 L58 P64 C66 V132 L133 L211 E213	V41-W45 HydrophobicContact CG1-CE3 4.49Å; V41-W45 VanDerWaalsContact O-CB 3.27Å; V41-W45 WeakPolarHBondContact O-CB 3.36Å; V41-W45 PolarHBondContact O-N 3.34Å; K42-W45 PolarHBondContact O-N 2.96Å; E43-W45 PolarHBondContact O-N 2.83Å; W45-R48 PolarHBondContact O-N 3.04Å; W45-L58 HydrophobicContact CB-CD2 4.08Å; W45-L58 HydrophobicContact CD2-CD1 4.2Å; W45-L58 HydrophobicContact CE3-CD1 3.5Å; W45-L58 HydrophobicContact CE3-CD2 4.09Å; W45-L58 HydrophobicContact CE3-CG 4.44Å; W45-L58 HydrophobicContact CZ3-CD1 3.7Å; W45-P64 HydrophobicContact CD2-CB 4.32Å; W45-P64 HydrophobicContact CZ2-CB 3.92Å; W45-C66 HydrophobicContact CZ3-CB 3.94Å; W45-V132 HydrophobicContact CB-CG1 4.36Å; W45-V132 HydrophobicContact CD2-CG1 4.27Å; W45-V132 HydrophobicContact CE3-CG1 3.96Å; W45-V132 HydrophobicContact CG-CG1 4.44Å; W45-L133 HydrophobicContact CD2-CD2 4.03Å; W45-L133 VanDerWaalsContact CE2-CD2 3.43Å; W45-L133 HydrophobicContact CG-CD2 4.41Å; W45-L133 HydrophobicContact CH2-CD2 4.41Å; W45-L133 HydrophobicContact CZ2-CD2 3.68Å; W45-L211 HydrophobicContact CH2-CD2 4.28Å; W45-L211 HydrophobicContact CZ3-CD2 4.4Å; W45-E213 HydrophobicContact CZ2-CB 4.1Å
46	S	95	Very high	96.6	Very high	93 Å²	93	63.3 Å²	63.3	65%	0.65	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-40.4	177.3	-174.6	0	0	0	0	112	K42 E43 R48	K42-S46 PolarHBondContact O-N 3.03Å; K42-S46 VanDerWaalsContact O-N 3.08Å; E43-S46 PolarHBondContact O-N 2.75Å; S46-R48 PolarHBondContact O-N 2.86Å
47	N	96.5	Very high	96.7	Very high	95 Å²	95	58.9 Å²	58.9	51%	0.508	32%	0.316	S	S	.	.	H	α-helix	trans	-83.4	-2	-178.6	-67.6	-25	0	0	0	113	E43 A44 T49	E43-N47 WeakPolarHBondContact CG-ND2 3.23Å; E43-N47 VanDerWaalsContact O-CB 3.31Å; E43-N47 WeakPolarHBondContact O-CB 3.31Å; E43-N47 VanDerWaalsContact O-CG 3.29Å; E43-N47 PolarHBondContact O-N 3.36Å; E43-N47 PolarHBondContact O-ND2 3.4Å; A44-N47 PolarHBondContact O-N 2.97Å; N47-T49 HydrophobicContact CB-CG2 4.07Å; N47-T49 PolarHBondContact O-N 2.98Å
48	R	96	Very high	96.9	Very high	134 Å²	134	58.9 Å²	58.9	51%	0.506	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	41.7	-175.2	-56	-64	-160.1	-150.2	12.8	112.1	A44 W45 S46 C60 P64 E213	A44-R48 WeakPolarHBondContact O-CA 3.41Å; A44-R48 PolarHBondContact O-N 3.06Å; W45-R48 PolarHBondContact O-N 3.04Å; S46-R48 PolarHBondContact O-N 2.86Å; R48-C60 VanDerWaalsContact CA-SG 3.57Å; R48-C60 HydrophobicContact CB-CB 4.28Å; R48-C60 WeakPolarHBondContact O-CB 3.47Å; R48-P64 VanDerWaalsContact CD-CG 3.48Å; R48-E213 IonicContact NH1-OE2 3.19Å; R48-E213 IonicContact NH2-OE2 3.76Å
49	T	97.5	Very high	97	Very high	69 Å²	69	59.5 Å²	59.5	42%	0.423	32%	0.32	S	S	.	.			trans	-110.5	146.1	179.5	55.8	0	0	0	0	111.2	A44 N47	A44-T49 WeakPolarHBondContact CA-OG1 3.29Å; A44-T49 PolarHBondContact O-N 2.78Å; N47-T49 HydrophobicContact CB-CG2 4.07Å; N47-T49 PolarHBondContact O-N 2.98Å
50	H	97.9	Very high	96.9	Very high	110 Å²	110	55.4 Å²	55.4	51%	0.509	30%	0.303	S	S	.	.			trans	-61.8	141.1	172.4	170.1	-85.3	0	0	0	111.5	L58	H50-L58 VanDerWaalsContact CA-O 3.31Å; H50-L58 WeakPolarHBondContact CA-O 3.43Å; H50-L58 PolarHBondContact CD2-O 2.78Å; H50-L58 VanDerWaalsContact CD2-O 3.26Å
51	Y	98.1	Very high	96.8	Very high	45 Å²	45	59.5 Å²	59.5	18%	0.176	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.1	172.5	174.2	-94.5	0	0	0	110.6	V37 A40 V41 A44 K53 L56 L58	V37-Y51 HydrophobicContact CG1-CE1 4.17Å; A40-Y51 HydrophobicContact CB-CD2 4.12Å; A40-Y51 HydrophobicContact CB-CE1 4.33Å; A40-Y51 HydrophobicContact CB-CE2 3.45Å; A40-Y51 VanDerWaalsContact CB-CE2 3.45Å; V41-Y51 HydrophobicContact CG2-CD1 3.63Å; V41-Y51 HydrophobicContact CG2-CE1 3.6Å; A44-Y51 HydrophobicContact CB-CG 4.35Å; Y51-K53 HydrophobicContact CE1-CB 3.98Å; Y51-K53 WeakPolarHBondContact OH-CB 3.25Å; Y51-K53 WeakPolarHBondContact OH-CD 3.46Å; Y51-L56 HydrophobicContact CD1-CD2 4.06Å; Y51-L56 HydrophobicContact CE1-CD2 4.21Å; Y51-L58 PolarHBondContact N-O 2.63Å; Y51-L58 PolarHBondContact O-N 2.79Å
52	S	97.3	Very high	96.8	Very high	67 Å²	67	60.9 Å²	60.9	47%	0.469	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134.1	174.9	179.2	0	0	0	0	110.8	L56	S52-L56 WeakPolarHBondContact CA-O 3.27Å; S52-L56 PolarHBondContact OG-O 3.04Å
53	K	96.3	Very high	96.8	Very high	74 Å²	74	57.6 Å²	57.6	32%	0.322	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	128.1	172.4	179.5	164.7	162.5	-154.7	0	109.7	E34 V37 Y51 D55 L56	E34-K53 WeakPolarHBondContact OE2-CE 3.14Å; E34-K53 IonicContact OE2-NZ 2.73Å; E34-K53 PolarHBondContact OE2-NZ 3.3Å; V37-K53 HydrophobicContact CG2-CD 3.76Å; V37-K53 HydrophobicContact CG2-CG 4.3Å; Y51-K53 HydrophobicContact CE1-CB 3.98Å; Y51-K53 WeakPolarHBondContact OH-CB 3.25Å; Y51-K53 WeakPolarHBondContact OH-CD 3.46Å; K53-D55 PolarHBondContact O-N 3.34Å; K53-L56 PolarHBondContact N-O 3.3Å; K53-L56 PolarHBondContact O-N 3.36Å; K53-L56 VanDerWaalsContact O-N 3.11Å
54	G	94.2	Very high	96.8	Very high	69 Å²	69	52.7 Å²	52.7	71%	0.711	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	-124.5	-179.2	0	0	0	0	0	111.5
55	D	95.4	Very high	96.8	Very high	60 Å²	60	52.4 Å²	52.4	32%	0.321	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.1	178.7	-73.3	-50.8	0	0	0	113.8	K53 I68 K69 N70	K53-D55 PolarHBondContact O-N 3.34Å; D55-I68 WeakPolarHBondContact O-CA 3.5Å; D55-K69 HydrophobicContact CB-CB 4.04Å; D55-K69 VanDerWaalsContact CB-O 3.24Å; D55-K69 WeakPolarHBondContact CB-O 3.23Å; D55-K69 PolarHBondContact O-N 3.49Å; D55-N70 PolarHBondContact OD1-ND2 3.01Å; D55-N70 PolarHBondContact OD2-ND2 2.87Å
56	L	97.7	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.2	-178.9	-173.5	152.7	0	0	0	111.2	V32 V37 V41 Y51 S52 K53 I67 I68 W128	V32-L56 HydrophobicContact CG2-CD1 4.49Å; V37-L56 HydrophobicContact CG1-CD1 4.41Å; V41-L56 HydrophobicContact CG2-CD1 4.14Å; V41-L56 HydrophobicContact CG2-CD2 3.54Å; Y51-L56 HydrophobicContact CD1-CD2 4.06Å; Y51-L56 HydrophobicContact CE1-CD2 4.21Å; S52-L56 WeakPolarHBondContact CA-O 3.27Å; S52-L56 PolarHBondContact OG-O 3.04Å; K53-L56 PolarHBondContact N-O 3.3Å; K53-L56 PolarHBondContact O-N 3.36Å; K53-L56 VanDerWaalsContact O-N 3.11Å; L56-I67 WeakPolarHBondContact CA-O 3.45Å; L56-I68 HydrophobicContact CD1-CD1 4.17Å; L56-I68 HydrophobicContact CD1-CG1 4.18Å; L56-I68 HydrophobicContact CG-CG1 4.19Å; L56-W128 HydrophobicContact CD1-CH2 4.22Å; L56-W128 HydrophobicContact CD1-CZ2 4.19Å
57	E	98.1	Very high	97.1	Very high	60 Å²	60	48.5 Å²	48.5	28%	0.28	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.7	174	-175.3	-176	160	0	0	109.7	C66 I67	E57-C66 CarbonylContact O-C 3.5Å; E57-C66 VanDerWaalsContact O-CA 3.29Å; E57-C66 WeakPolarHBondContact O-CA 3.46Å; E57-I67 PolarHBondContact N-O 2.85Å; E57-I67 PolarHBondContact O-N 2.88Å
58	L	98.3	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121	170.3	171.6	64.9	0	0	0	108.4	V41 A44 W45 H50 Y51 C66	V41-L58 HydrophobicContact CG1-CD2 4.34Å; A44-L58 HydrophobicContact CB-CD2 3.78Å; W45-L58 HydrophobicContact CB-CD2 4.08Å; W45-L58 HydrophobicContact CD2-CD1 4.2Å; W45-L58 HydrophobicContact CE3-CD1 3.5Å; W45-L58 HydrophobicContact CE3-CD2 4.09Å; W45-L58 HydrophobicContact CE3-CG 4.44Å; W45-L58 HydrophobicContact CZ3-CD1 3.7Å; H50-L58 VanDerWaalsContact CA-O 3.31Å; H50-L58 WeakPolarHBondContact CA-O 3.43Å; H50-L58 PolarHBondContact CD2-O 2.78Å; H50-L58 VanDerWaalsContact CD2-O 3.26Å; Y51-L58 PolarHBondContact N-O 2.63Å; Y51-L58 PolarHBondContact O-N 2.79Å; L58-C66 HydrophobicContact CD1-CB 4.32Å
59	D	97.5	Very high	97.3	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.203	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	149	167.9	-171.2	-6.5	0	0	0	108.9	H61 P64 H65 K200	D59-H61 PolarHBondContact OD1-N 3.48Å; D59-P64 WeakPolarHBondContact O-CA 3.32Å; D59-H65 PolarHBondContact N-O 3.02Å; D59-H65 PolarHBondContact O-N 2.88Å; D59-H65 PolarHBondContact O-ND1 3.2Å; D59-K200 IonicContact OD2-NZ 2.69Å; D59-K200 PolarHBondContact OD2-NZ 3.43Å
60	C	96.1	Very high	97.2	Very high	21 Å²	21	43 Å²	43	14%	0.142	23%	0.234	C	C	.	.			trans	-112.1	0.4	-176.3	-66.9	0	0	0	0	113.5	R48 P62 F63 P64	R48-C60 VanDerWaalsContact CA-SG 3.57Å; R48-C60 HydrophobicContact CB-CB 4.28Å; R48-C60 WeakPolarHBondContact O-CB 3.47Å; C60-P62 CarbonylContact O-C 3.59Å; C60-F63 CarbonylContact C-O 3.52Å; C60-F63 CarbonylContact O-C 3.57Å; C60-F63 WeakPolarHBondContact O-CA 3.4Å; C60-F63 PolarHBondContact O-N 3.15Å; C60-P64 HydrophobicContact CB-CG 4.16Å
61	H	95.7	Very high	97.3	Very high	111 Å²	111	37.8 Å²	37.8	51%	0.514	21%	0.209	S	C	.	.	S	Bend	trans	-114.3	129.1	177.6	-175.2	73.7	0	0	0	111.8	D59 H65	D59-H61 PolarHBondContact OD1-N 3.48Å; H61-H65 PolarHBondContact O-CE1 2.99Å
62	P	97.2	Very high	97.2	Very high	30 Å²	30	35.7 Å²	35.7	20%	0.195	20%	0.201	C	C	.	.	S	Bend	cis	-75.8	-21.3	2.7	26.6	-29.3	0	0	0	114.2	C60 L186 Y187 V199	C60-P62 CarbonylContact O-C 3.59Å; P62-L186 HydrophobicContact CG-CB 3.71Å; P62-Y187 VanDerWaalsContact CB-O 3.22Å; P62-Y187 WeakPolarHBondContact CB-O 3.33Å; P62-Y187 WeakPolarHBondContact CG-O 3.47Å; P62-V199 HydrophobicContact CB-CG2 3.7Å; P62-V199 HydrophobicContact CG-CG2 3.62Å
63	F	96.9	Very high	97.1	Very high	6 Å²	6	36 Å²	36	3%	0.026	20%	0.203	C	C	.	.	S	Bend	trans	-144.8	164.7	172.2	47.6	-95.2	0	0	0	109.1	C60 H65 L186 F212 V217 S218 F219	C60-F63 CarbonylContact C-O 3.52Å; C60-F63 CarbonylContact O-C 3.57Å; C60-F63 WeakPolarHBondContact O-CA 3.4Å; C60-F63 PolarHBondContact O-N 3.15Å; F63-H65 PolarHBondContact O-N 2.92Å; F63-H65 PolarHBondContact O-ND1 3.3Å; F63-L186 HydrophobicContact CE1-CB 4.23Å; F63-L186 HydrophobicContact CE2-CD1 4.48Å; F63-L186 HydrophobicContact CE2-CD2 4.38Å; F63-L186 HydrophobicContact CZ-CB 4.1Å; F63-L186 HydrophobicContact CZ-CD1 4.37Å; F63-L186 HydrophobicContact CZ-CD2 3.89Å; F63-L186 HydrophobicContact CZ-CG 4.34Å; F63-F212 HydrophobicContact CD2-CB 4.27Å; F63-F212 HydrophobicContact CE2-CB 4.01Å; F63-F212 HydrophobicContact CE2-CD2 4.09Å; F63-F212 HydrophobicContact CE2-CG 4.04Å; F63-V217 VanDerWaalsContact CD1-O 3.23Å; F63-V217 WeakPolarHBondContact CD1-O 3.36Å; F63-S218 VanDerWaalsContact CE1-CA 3.48Å; F63-F219 WeakPolarHBondContact CE1-O 3.24Å
64	P	96.9	Very high	97.1	Very high	10 Å²	10	36.4 Å²	36.4	7%	0.065	21%	0.209	C	C	.	.			trans	-61.4	120.1	-179.5	-32	44.8	0	0	0	114	W45 R48 D59 C60 F212	W45-P64 HydrophobicContact CD2-CB 4.32Å; W45-P64 HydrophobicContact CZ2-CB 3.92Å; R48-P64 VanDerWaalsContact CD-CG 3.48Å; D59-P64 WeakPolarHBondContact O-CA 3.32Å; C60-P64 HydrophobicContact CB-CG 4.16Å; P64-F212 WeakPolarHBondContact O-CB 3.38Å
65	H	98.2	Very high	97.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.9	177.1	63.5	-77.6	0	0	0	109.7	D59 H61 F63 K200 L211 F212	D59-H65 PolarHBondContact N-O 3.02Å; D59-H65 PolarHBondContact O-N 2.88Å; D59-H65 PolarHBondContact O-ND1 3.2Å; H61-H65 PolarHBondContact O-CE1 2.99Å; F63-H65 PolarHBondContact O-N 2.92Å; F63-H65 PolarHBondContact O-ND1 3.3Å; H65-K200 VanDerWaalsContact NE2-CD 3.29Å; H65-K200 WeakPolarHBondContact NE2-CD 3.4Å; H65-K200 WeakPolarHBondContact NE2-CE 3.25Å; H65-K200 PolarHBondContact NE2-NZ 3.22Å; H65-L211 CarbonylContact C-O 3.54Å; H65-L211 WeakPolarHBondContact CA-O 3.32Å; H65-F212 HydrophobicContact CB-CB 3.73Å
66	C	98.3	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.4	-177.5	-173.3	0	0	0	0	109.7	W45 E57 L58 V210 L211	W45-C66 HydrophobicContact CZ3-CB 3.94Å; E57-C66 CarbonylContact O-C 3.5Å; E57-C66 VanDerWaalsContact O-CA 3.29Å; E57-C66 WeakPolarHBondContact O-CA 3.46Å; L58-C66 HydrophobicContact CD1-CB 4.32Å; C66-V210 CarbonylContact O-C 3.53Å; C66-V210 WeakPolarHBondContact O-CA 3.39Å; C66-L211 HydrophobicContact CB-CB 4.48Å; C66-L211 PolarHBondContact N-O 3.37Å; C66-L211 PolarHBondContact O-N 3.29Å
67	I	98.6	Very high	97.2	Very high	19 Å²	19	38.1 Å²	38.1	10%	0.097	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.7	177.6	-53.1	171.2	0	0	0	106.7	L56 E57 L202 T208 V210	L56-I67 WeakPolarHBondContact CA-O 3.45Å; E57-I67 PolarHBondContact N-O 2.85Å; E57-I67 PolarHBondContact O-N 2.88Å; I67-L202 HydrophobicContact CD1-CD1 4.08Å; I67-L202 HydrophobicContact CD1-CD2 3.72Å; I67-L202 HydrophobicContact CG1-CD1 4.37Å; I67-T208 HydrophobicContact CG2-CG2 3.73Å; I67-V210 HydrophobicContact CG1-CG2 4.34Å; I67-V210 HydrophobicContact CG2-CG2 4.45Å
68	I	98.4	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	101.6	-179.7	-47.9	177.7	0	0	0	107.9	C29 V32 D55 L56 F71 F125 T208 L209	C29-I68 HydrophobicContact CB-CG2 4.02Å; V32-I68 HydrophobicContact CG2-CD1 3.91Å; V32-I68 HydrophobicContact CG2-CG2 4.12Å; D55-I68 WeakPolarHBondContact O-CA 3.5Å; L56-I68 HydrophobicContact CD1-CD1 4.17Å; L56-I68 HydrophobicContact CD1-CG1 4.18Å; L56-I68 HydrophobicContact CG-CG1 4.19Å; I68-F71 HydrophobicContact CB-CD2 4.29Å; I68-F71 HydrophobicContact CG2-CD2 4Å; I68-F125 HydrophobicContact CD1-CE2 4.09Å; I68-F125 HydrophobicContact CD1-CZ 4.16Å; I68-T208 WeakPolarHBondContact O-CA 3.38Å; I68-L209 HydrophobicContact CB-CB 4.49Å; I68-L209 HydrophobicContact CD1-CD2 4.25Å; I68-L209 PolarHBondContact N-O 2.87Å; I68-L209 PolarHBondContact O-N 3.35Å
69	K	97.9	Very high	97.2	Very high	104 Å²	104	39.2 Å²	39.2	45%	0.452	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	159.1	175.1	-64.5	176.2	-175.8	168.2	0	110	D55 F71 T208	D55-K69 HydrophobicContact CB-CB 4.04Å; D55-K69 VanDerWaalsContact CB-O 3.24Å; D55-K69 WeakPolarHBondContact CB-O 3.23Å; D55-K69 PolarHBondContact O-N 3.49Å; K69-F71 PolarHBondContact O-N 2.93Å; K69-F71 VanDerWaalsContact O-N 3.09Å; K69-T208 HydrophobicContact CG-CG2 4.27Å
70	N	97.3	Very high	97.3	Very high	79 Å²	79	39 Å²	39	42%	0.422	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	42.1	179.9	-55.4	-56.7	0	0	0	112.1	D55 L72 N207	D55-N70 PolarHBondContact OD1-ND2 3.01Å; D55-N70 PolarHBondContact OD2-ND2 2.87Å; N70-L72 PolarHBondContact O-N 3.19Å; N70-N207 WeakPolarHBondContact CA-O 3.32Å; N70-N207 PolarHBondContact N-O 2.68Å
71	F	98.1	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.			trans	-59	-36.9	-168.8	177.6	-110.2	0	0	0	112.1	L28 C29 I68 K69 I117 L121 F125 L170 N207 L209	L28-F71 CarbonylContact C-O 3.45Å; L28-F71 WeakPolarHBondContact CA-O 3.32Å; L28-F71 HydrophobicContact CB-CE2 4.36Å; L28-F71 HydrophobicContact CB-CZ 4.47Å; L28-F71 HydrophobicContact CD1-CE2 4.19Å; L28-F71 HydrophobicContact CD1-CZ 3.82Å; L28-F71 HydrophobicContact CD2-CD1 4.31Å; L28-F71 HydrophobicContact CD2-CE1 3.64Å; L28-F71 HydrophobicContact CD2-CE2 4.33Å; L28-F71 HydrophobicContact CD2-CZ 3.65Å; L28-F71 HydrophobicContact CG-CZ 4.18Å; C29-F71 PolarHBondContact N-O 3.18Å; I68-F71 HydrophobicContact CB-CD2 4.29Å; I68-F71 HydrophobicContact CG2-CD2 4Å; K69-F71 PolarHBondContact O-N 2.93Å; K69-F71 VanDerWaalsContact O-N 3.09Å; F71-I117 HydrophobicContact CE1-CD1 4.42Å; F71-L121 HydrophobicContact CE1-CD2 3.87Å; F71-L121 HydrophobicContact CZ-CD2 3.89Å; F71-F125 HydrophobicContact CE2-CD2 4.01Å; F71-F125 AromaticContact CE2-CE2 3.82Å; F71-F125 HydrophobicContact CE2-CE2 3.82Å; F71-F125 HydrophobicContact CE2-CG 4.49Å; F71-F125 HydrophobicContact CE2-CZ 4.14Å; F71-F125 HydrophobicContact CZ-CD1 4.38Å; F71-F125 HydrophobicContact CZ-CD2 4.16Å; F71-F125 HydrophobicContact CZ-CE2 4.3Å; F71-F125 HydrophobicContact CZ-CG 4.2Å; F71-F125 HydrophobicContact CZ-CZ 4.47Å; F71-L170 HydrophobicContact CB-CD1 4.13Å; F71-L170 HydrophobicContact CD1-CD1 3.96Å; F71-L170 HydrophobicContact CD1-CD2 4.21Å; F71-L170 HydrophobicContact CG-CD1 4.42Å; F71-N207 PolarHBondContact N-O 3.37Å; F71-N207 PolarHBondContact N-OD1 3.44Å; F71-L209 HydrophobicContact CB-CB 3.93Å; F71-L209 HydrophobicContact CD1-CB 4.14Å; F71-L209 HydrophobicContact CD1-CD1 3.89Å; F71-L209 HydrophobicContact CD2-CB 3.89Å; F71-L209 HydrophobicContact CD2-CD1 4.12Å; F71-L209 HydrophobicContact CD2-CG 4.48Å; F71-L209 HydrophobicContact CE1-CD1 3.61Å; F71-L209 HydrophobicContact CE2-CB 4.46Å; F71-L209 HydrophobicContact CE2-CD1 3.88Å; F71-L209 HydrophobicContact CG-CB 3.71Å; F71-L209 HydrophobicContact CG-CD1 4.13Å; F71-L209 HydrophobicContact CZ-CD1 3.61Å
72	L	97.3	Very high	97.5	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-94.3	116.8	171.3	-51.2	177.3	0	0	0	109.1	V26 L28 N70 N74 F77 A78 L81 I117 L170 N207	V26-L72 HydrophobicContact CG2-CD2 3.81Å; L28-L72 HydrophobicContact CD2-CD2 4.07Å; N70-L72 PolarHBondContact O-N 3.19Å; L72-N74 VanDerWaalsContact C-N 3.27Å; L72-N74 PolarHBondContact O-N 3.18Å; L72-F77 HydrophobicContact CD1-CD1 4.12Å; L72-F77 HydrophobicContact CD1-CE1 4.29Å; L72-A78 HydrophobicContact CB-CB 4.36Å; L72-A78 HydrophobicContact CD1-CB 3.84Å; L72-L81 HydrophobicContact CD1-CD2 4.05Å; L72-I117 HydrophobicContact CD2-CD1 3.56Å; L72-L170 HydrophobicContact CD1-CD2 4.26Å; L72-L170 HydrophobicContact CG-CD2 4.5Å; L72-N207 VanDerWaalsContact CB-OD1 3.32Å; L72-N207 WeakPolarHBondContact CB-OD1 3.42Å; L72-N207 VanDerWaalsContact CG-OD1 3.32Å; L72-N207 WeakPolarHBondContact CG-OD1 3.23Å; L72-N207 PolarHBondContact N-OD1 3.12Å; L72-N207 PolarHBondContact O-ND2 3.31Å
73	S	94.9	Very high	97.6	Very high	73 Å²	73	39.7 Å²	39.7	51%	0.51	20%	0.199	S	C	.	.	S	Bend	trans	-69.2	-24.8	-175.4	-69	0	0	0	0	113.3	D27 L28	D27-S73 WeakPolarHBondContact O-CB 3.19Å; D27-S73 PolarHBondContact O-N 3.03Å; L28-S73 PolarHBondContact O-OG 2.96Å
74	N	95.7	Very high	97.6	Very high	82 Å²	82	40.7 Å²	40.7	44%	0.439	20%	0.204	S	C	.	.			trans	-100.8	107.5	178.2	-176	-21.9	0	0	0	111	L72 T76 F77 A78	L72-N74 VanDerWaalsContact C-N 3.27Å; L72-N74 PolarHBondContact O-N 3.18Å; N74-T76 VanDerWaalsContact C-N 3.32Å; N74-T76 PolarHBondContact O-N 3.49Å; N74-T76 WeakPolarHBondContact OD1-CA 3.35Å; N74-T76 WeakPolarHBondContact OD1-CB 3.4Å; N74-T76 PolarHBondContact OD1-N 3.14Å; N74-F77 HydrophobicContact CB-CB 3.91Å; N74-F77 WeakPolarHBondContact O-CB 3.24Å; N74-F77 PolarHBondContact O-N 3.05Å; N74-F77 VanDerWaalsContact O-N 3.1Å; N74-F77 PolarHBondContact OD1-N 2.93Å; N74-F77 VanDerWaalsContact OD1-N 3.17Å; N74-A78 PolarHBondContact O-N 3.45Å; N74-A78 VanDerWaalsContact O-N 3.12Å
75	Q	95.6	Very high	97.7	Very high	79 Å²	79	40.2 Å²	40.2	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-59.8	-38.8	179.1	179.8	59.8	24.2	0	0	113	F77 A78 E79 W206	Q75-F77 VanDerWaalsContact C-N 3.29Å; Q75-F77 PolarHBondContact O-N 3.41Å; Q75-A78 PolarHBondContact O-N 2.83Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.45Å; Q75-E79 PolarHBondContact NE2-OE1 3.27Å; Q75-E79 WeakPolarHBondContact O-CG 3.12Å; Q75-E79 PolarHBondContact O-N 2.83Å; Q75-W206 VanDerWaalsContact NE2-NE1 3.1Å
76	T	96.9	Very high	97.7	Very high	81 Å²	81	43.9 Å²	43.9	50%	0.497	22%	0.22	S	C	.	.	H	α-helix	trans	-64.4	-35.8	176.7	-56.8	0	0	0	0	111.6	N74 N80	N74-T76 VanDerWaalsContact C-N 3.32Å; N74-T76 PolarHBondContact O-N 3.49Å; N74-T76 WeakPolarHBondContact OD1-CA 3.35Å; N74-T76 WeakPolarHBondContact OD1-CB 3.4Å; N74-T76 PolarHBondContact OD1-N 3.14Å; T76-N80 WeakPolarHBondContact O-CB 3.35Å; T76-N80 PolarHBondContact O-N 3.41Å; T76-N80 PolarHBondContact O-ND2 3.38Å
77	F	97.9	Very high	97.6	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-45.5	173.1	179.9	-82.2	0	0	0	110.9	E24 V26 L72 N74 Q75 E79 N80 L81 H113 A116 I117	E24-F77 HydrophobicContact CB-CE2 4.49Å; V26-F77 HydrophobicContact CB-CD1 4.37Å; V26-F77 HydrophobicContact CB-CD2 4.38Å; V26-F77 HydrophobicContact CB-CE1 3.93Å; V26-F77 HydrophobicContact CB-CE2 3.93Å; V26-F77 HydrophobicContact CB-CZ 3.7Å; V26-F77 HydrophobicContact CG1-CZ 4.43Å; V26-F77 HydrophobicContact CG2-CD1 3.8Å; V26-F77 HydrophobicContact CG2-CE1 3.54Å; V26-F77 HydrophobicContact CG2-CE2 4.39Å; V26-F77 HydrophobicContact CG2-CG 4.36Å; V26-F77 HydrophobicContact CG2-CZ 3.87Å; L72-F77 HydrophobicContact CD1-CD1 4.12Å; L72-F77 HydrophobicContact CD1-CE1 4.29Å; N74-F77 HydrophobicContact CB-CB 3.91Å; N74-F77 WeakPolarHBondContact O-CB 3.24Å; N74-F77 PolarHBondContact O-N 3.05Å; N74-F77 VanDerWaalsContact O-N 3.1Å; N74-F77 PolarHBondContact OD1-N 2.93Å; N74-F77 VanDerWaalsContact OD1-N 3.17Å; Q75-F77 VanDerWaalsContact C-N 3.29Å; Q75-F77 PolarHBondContact O-N 3.41Å; F77-E79 PolarHBondContact O-N 3.45Å; F77-N80 PolarHBondContact O-N 2.92Å; F77-L81 HydrophobicContact CE1-CB 4.36Å; F77-L81 HydrophobicContact CE1-CD2 4.24Å; F77-L81 WeakPolarHBondContact O-CB 3.42Å; F77-L81 PolarHBondContact O-N 2.75Å; F77-H113 AromaticContact CD2-CD2 3.45Å; F77-H113 VanDerWaalsContact CD2-CD2 3.45Å; F77-H113 WeakPolarHBondContact CD2-CD2 3.28Å; F77-H113 HydrophobicContact CE2-CB 4.11Å; F77-H113 AromaticContact CE2-CD2 3.61Å; F77-H113 HydrophobicContact CZ-CB 4.07Å; F77-A116 HydrophobicContact CE2-CB 3.75Å; F77-A116 HydrophobicContact CZ-CB 3.8Å; F77-I117 HydrophobicContact CE1-CB 4.42Å; F77-I117 HydrophobicContact CZ-CB 4.43Å
78	A	98.1	Very high	97.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-42.2	178.5	0	0	0	0	0	112.4	L72 N74 Q75 L81 Q82 W206	L72-A78 HydrophobicContact CB-CB 4.36Å; L72-A78 HydrophobicContact CD1-CB 3.84Å; N74-A78 PolarHBondContact O-N 3.45Å; N74-A78 VanDerWaalsContact O-N 3.12Å; Q75-A78 PolarHBondContact O-N 2.83Å; A78-L81 PolarHBondContact O-N 3.35Å; A78-Q82 PolarHBondContact O-N 2.93Å; A78-W206 HydrophobicContact CB-CH2 4.49Å; A78-W206 HydrophobicContact CB-CZ2 3.74Å
79	E	98.3	Very high	97.5	Very high	83 Å²	83	56.2 Å²	56.2	39%	0.388	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-41.7	176.1	-71.6	166.7	-174.7	0	0	112.6	Q75 F77 Q82 R83 W206	Q75-E79 WeakPolarHBondContact CG-OE1 3.45Å; Q75-E79 PolarHBondContact NE2-OE1 3.27Å; Q75-E79 WeakPolarHBondContact O-CG 3.12Å; Q75-E79 PolarHBondContact O-N 2.83Å; F77-E79 PolarHBondContact O-N 3.45Å; E79-Q82 PolarHBondContact O-N 3.41Å; E79-R83 PolarHBondContact O-N 2.95Å; E79-W206 HydrophobicContact CG-CH2 4.49Å; E79-W206 HydrophobicContact CG-CZ2 4.11Å
80	N	98.4	Very high	97.5	Very high	33 Å²	33	53.2 Å²	53.2	18%	0.176	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-38.2	175.9	-71.3	-24.9	0	0	0	111.9	T76 F77 R83 E84 H113	T76-N80 WeakPolarHBondContact O-CB 3.35Å; T76-N80 PolarHBondContact O-N 3.41Å; T76-N80 PolarHBondContact O-ND2 3.38Å; F77-N80 PolarHBondContact O-N 2.92Å; N80-R83 WeakPolarHBondContact O-CB 3.45Å; N80-R83 PolarHBondContact O-N 3.46Å; N80-R83 PolarHBondContact OD1-NH1 3.08Å; N80-R83 PolarHBondContact OD1-NH2 2.92Å; N80-E84 PolarHBondContact O-N 3.3Å; N80-H113 WeakPolarHBondContact CB-CD2 3.35Å; N80-H113 VanDerWaalsContact CB-CE1 3.47Å; N80-H113 WeakPolarHBondContact CB-CE1 3.38Å; N80-H113 WeakPolarHBondContact CB-NE2 3.3Å; N80-H113 PolarHBondContact ND2-NE2 3.27Å; N80-H113 VanDerWaalsContact ND2-NE2 3.14Å
81	L	98.6	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-48.4	173.4	175.6	61.7	0	0	0	110.5	L72 F77 A78 R83 E84 L85 H113 I114 I117 L172 L235	L72-L81 HydrophobicContact CD1-CD2 4.05Å; F77-L81 HydrophobicContact CE1-CB 4.36Å; F77-L81 HydrophobicContact CE1-CD2 4.24Å; F77-L81 WeakPolarHBondContact O-CB 3.42Å; F77-L81 PolarHBondContact O-N 2.75Å; A78-L81 PolarHBondContact O-N 3.35Å; L81-R83 VanDerWaalsContact C-N 3.26Å; L81-R83 PolarHBondContact O-N 2.81Å; L81-E84 PolarHBondContact O-N 3.38Å; L81-L85 HydrophobicContact CD1-CD1 4.01Å; L81-L85 HydrophobicContact CD1-CG 4.08Å; L81-L85 HydrophobicContact CG-CD1 3.9Å; L81-L85 HydrophobicContact CG-CG 4.39Å; L81-L85 VanDerWaalsContact O-CG 3.24Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.49Å; L81-H113 HydrophobicContact CB-CB 4.01Å; L81-H113 HydrophobicContact CD1-CB 4.11Å; L81-I114 HydrophobicContact CD1-CG1 4.04Å; L81-I117 HydrophobicContact CD1-CG2 3.8Å; L81-I117 HydrophobicContact CD2-CB 4.12Å; L81-I117 HydrophobicContact CD2-CG1 4.13Å; L81-I117 HydrophobicContact CD2-CG2 4.07Å; L81-L172 HydrophobicContact CD2-CD1 4.03Å; L81-L172 HydrophobicContact CG-CD1 4.07Å; L81-L235 HydrophobicContact CD1-CD1 4.5Å; L81-L235 HydrophobicContact CD2-CD1 4.08Å
82	Q	98.5	Very high	97.5	Very high	47 Å²	47	61.2 Å²	61.2	22%	0.22	31%	0.306	C	S	.	.	H	α-helix	trans	-55.9	-43.6	175.7	-170	-165.6	38.6	0	0	111.2	A78 E79 L85 L86 L172 W206 L233	A78-Q82 PolarHBondContact O-N 2.93Å; E79-Q82 PolarHBondContact O-N 3.41Å; Q82-L85 PolarHBondContact O-N 3.21Å; Q82-L86 HydrophobicContact CG-CD1 4.08Å; Q82-L86 HydrophobicContact CG-CG 4.43Å; Q82-L86 WeakPolarHBondContact O-CB 3.49Å; Q82-L86 VanDerWaalsContact O-CG 3.3Å; Q82-L86 WeakPolarHBondContact O-CG 3.33Å; Q82-L86 PolarHBondContact O-N 3.04Å; Q82-L172 HydrophobicContact CB-CB 4.48Å; Q82-L172 HydrophobicContact CB-CD1 4.45Å; Q82-L172 HydrophobicContact CG-CB 4.26Å; Q82-L172 PolarHBondContact NE2-O 3.01Å; Q82-W206 HydrophobicContact CB-CH2 4.01Å; Q82-W206 HydrophobicContact CB-CZ3 4.29Å; Q82-W206 HydrophobicContact CG-CH2 4.4Å; Q82-W206 HydrophobicContact CG-CZ3 4.21Å; Q82-L233 HydrophobicContact CG-CD2 3.72Å
83	R	98.3	Very high	97.4	Very high	129 Å²	129	64.5 Å²	64.5	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-49.4	177.6	-164.5	-174.7	-46.1	120.5	14.6	112.3	E79 N80 L81 L85 L86 E87	E79-R83 PolarHBondContact O-N 2.95Å; N80-R83 WeakPolarHBondContact O-CB 3.45Å; N80-R83 PolarHBondContact O-N 3.46Å; N80-R83 PolarHBondContact OD1-NH1 3.08Å; N80-R83 PolarHBondContact OD1-NH2 2.92Å; L81-R83 VanDerWaalsContact C-N 3.26Å; L81-R83 PolarHBondContact O-N 2.81Å; R83-L85 VanDerWaalsContact C-N 3.29Å; R83-L85 PolarHBondContact O-N 2.79Å; R83-L86 PolarHBondContact O-N 3.34Å; R83-E87 WeakPolarHBondContact O-CG 3.48Å; R83-E87 PolarHBondContact O-N 3.5Å
84	E	98.3	Very high	97.5	Very high	27 Å²	27	64.8 Å²	64.8	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-59.4	-40.4	176.6	-73.6	-176	-175.4	0	0	111.8	N80 L81 E87 E111 P112 H113 I114	N80-E84 PolarHBondContact O-N 3.3Å; L81-E84 PolarHBondContact O-N 3.38Å; E84-E87 PolarHBondContact O-N 3Å; E84-E111 HydrophobicContact CG-CB 4.42Å; E84-E111 VanDerWaalsContact OE2-CB 3.31Å; E84-E111 WeakPolarHBondContact OE2-CB 3.4Å; E84-P112 WeakPolarHBondContact OE1-CD 3.21Å; E84-P112 VanDerWaalsContact OE1-CG 3.25Å; E84-P112 WeakPolarHBondContact OE1-CG 3.31Å; E84-H113 IonicContact OE1-CE1 3.18Å; E84-H113 IonicContact OE1-CG 2.88Å; E84-H113 PolarHBondContact OE1-N 3.49Å; E84-H113 IonicContact OE1-ND1 2.68Å; E84-H113 PolarHBondContact OE1-ND1 2.88Å; E84-H113 WeakPolarHBondContact OE2-CA 3.46Å; E84-H113 VanDerWaalsContact OE2-CB 3.3Å; E84-H113 WeakPolarHBondContact OE2-CB 3.42Å; E84-H113 PolarHBondContact OE2-N 2.92Å; E84-H113 IonicContact OE2-ND1 2.69Å; E84-I114 HydrophobicContact CB-CD1 4.15Å; E84-I114 HydrophobicContact CB-CG1 4.15Å; E84-I114 PolarHBondContact OE2-N 3.38Å
85	L	98.4	Very high	97.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-69	-37.2	179.1	-68.2	171.9	0	0	0	112.8	L81 Q82 R83 E87 L88 F90 L106 I114 C145 L172 L233 L235	L81-L85 HydrophobicContact CD1-CD1 4.01Å; L81-L85 HydrophobicContact CD1-CG 4.08Å; L81-L85 HydrophobicContact CG-CD1 3.9Å; L81-L85 HydrophobicContact CG-CG 4.39Å; L81-L85 VanDerWaalsContact O-CG 3.24Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.49Å; Q82-L85 PolarHBondContact O-N 3.21Å; R83-L85 VanDerWaalsContact C-N 3.29Å; R83-L85 PolarHBondContact O-N 2.79Å; L85-E87 PolarHBondContact O-N 3.5Å; L85-L88 HydrophobicContact CD2-CD1 3.9Å; L85-L88 WeakPolarHBondContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CG 3.28Å; L85-L88 PolarHBondContact O-N 2.74Å; L85-F90 WeakPolarHBondContact O-CE2 3.29Å; L85-F90 WeakPolarHBondContact O-CZ 3.36Å; L85-L106 HydrophobicContact CD2-CD1 4.01Å; L85-I114 HydrophobicContact CD2-CD1 3.85Å; L85-I114 HydrophobicContact CD2-CG1 3.96Å; L85-I114 HydrophobicContact CG-CG1 4.5Å; L85-C145 HydrophobicContact CD2-CB 4.12Å; L85-L172 HydrophobicContact CD1-CD1 3.57Å; L85-L233 HydrophobicContact CB-CD2 4.26Å; L85-L235 HydrophobicContact CD1-CD1 3.94Å; L85-L235 HydrophobicContact CD1-CD2 3.96Å; L85-L235 HydrophobicContact CD1-CG 3.72Å; L85-L235 HydrophobicContact CD2-CD2 3.7Å; L85-L235 HydrophobicContact CD2-CG 4.38Å
86	L	97.3	Very high	97.6	Very high	78 Å²	78	60.4 Å²	60.4	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-68.1	-26.8	177.8	-74.5	173.4	0	0	0	112.5	Q82 R83 L88 K147 L233	Q82-L86 HydrophobicContact CG-CD1 4.08Å; Q82-L86 HydrophobicContact CG-CG 4.43Å; Q82-L86 WeakPolarHBondContact O-CB 3.49Å; Q82-L86 VanDerWaalsContact O-CG 3.3Å; Q82-L86 WeakPolarHBondContact O-CG 3.33Å; Q82-L86 PolarHBondContact O-N 3.04Å; R83-L86 PolarHBondContact O-N 3.34Å; L86-L88 VanDerWaalsContact C-N 3.29Å; L86-K147 PolarHBondContact O-NZ 2.88Å; L86-L233 HydrophobicContact CD2-CD1 4.15Å; L86-L233 HydrophobicContact CD2-CD2 3.98Å; L86-L233 HydrophobicContact CG-CD2 4.04Å
87	E	97.3	Very high	97.6	Very high	146 Å²	146	58.2 Å²	58.2	68%	0.682	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.5	176.3	-70.9	174.8	-172	0	0	113.9	R83 E84 L85	R83-E87 WeakPolarHBondContact O-CG 3.48Å; R83-E87 PolarHBondContact O-N 3.5Å; E84-E87 PolarHBondContact O-N 3Å; L85-E87 PolarHBondContact O-N 3.5Å
88	L	97.6	Very high	97.6	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.073	30%	0.296	C	S	.	.	S	Bend	trans	-69	155.7	175.7	-63.5	175.1	0	0	0	111.9	L85 L86 F90 L106 I114 C145	L85-L88 HydrophobicContact CD2-CD1 3.9Å; L85-L88 WeakPolarHBondContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CG 3.28Å; L85-L88 PolarHBondContact O-N 2.74Å; L86-L88 VanDerWaalsContact C-N 3.29Å; L88-F90 HydrophobicContact CB-CD2 4.47Å; L88-F90 HydrophobicContact CB-CE2 3.86Å; L88-F90 HydrophobicContact CB-CZ 4.39Å; L88-F90 WeakPolarHBondContact O-CD2 3.47Å; L88-F90 WeakPolarHBondContact O-CE2 3.21Å; L88-L106 HydrophobicContact CD1-CD2 3.56Å; L88-I114 HydrophobicContact CD1-CD1 4.2Å; L88-I114 HydrophobicContact CD2-CD1 4.2Å; L88-I114 HydrophobicContact CG-CD1 4.45Å; L88-C145 HydrophobicContact CD1-CB 4.32Å
89	N	97.1	Very high	97.7	Very high	118 Å²	118	63.8 Å²	63.8	63%	0.631	31%	0.31	S	S	*	.			trans	-73.8	137.4	164.6	-64	-28.9	0	0	0	109.2	S103	N89-S103 WeakPolarHBondContact O-CA 3.29Å
90	F	98	Very high	97.7	Very high	40 Å²	40	60.6 Å²	60.6	18%	0.175	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.6	175.4	-72.4	-98.7	0	0	0	109.5	L85 L88 K101 Q102 C145 K147 L233	L85-F90 WeakPolarHBondContact O-CE2 3.29Å; L85-F90 WeakPolarHBondContact O-CZ 3.36Å; L88-F90 HydrophobicContact CB-CD2 4.47Å; L88-F90 HydrophobicContact CB-CE2 3.86Å; L88-F90 HydrophobicContact CB-CZ 4.39Å; L88-F90 WeakPolarHBondContact O-CD2 3.47Å; L88-F90 WeakPolarHBondContact O-CE2 3.21Å; F90-K101 HydrophobicContact CB-CB 4.09Å; F90-K101 HydrophobicContact CD1-CB 4.29Å; F90-Q102 WeakPolarHBondContact CA-O 3.46Å; F90-C145 HydrophobicContact CE1-CB 4.15Å; F90-C145 HydrophobicContact CZ-CB 4.19Å; F90-K147 HydrophobicContact CD1-CB 4.24Å; F90-K147 HydrophobicContact CD1-CD 3.8Å; F90-K147 HydrophobicContact CD1-CG 3.96Å; F90-K147 HydrophobicContact CD2-CD 3.85Å; F90-K147 VanDerWaalsContact CD2-NZ 3.32Å; F90-K147 HydrophobicContact CE1-CB 4.22Å; F90-K147 HydrophobicContact CE1-CD 3.69Å; F90-K147 HydrophobicContact CE1-CG 3.57Å; F90-K147 HydrophobicContact CE2-CD 3.75Å; F90-K147 HydrophobicContact CE2-CG 4.45Å; F90-K147 HydrophobicContact CG-CD 3.89Å; F90-K147 HydrophobicContact CZ-CD 3.67Å; F90-K147 HydrophobicContact CZ-CG 3.86Å; F90-L233 HydrophobicContact CZ-CD1 4.34Å
91	N	97.6	Very high	97.7	Very high	86 Å²	86	61.6 Å²	61.6	46%	0.46	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138	175.9	-52.3	-64.6	0	0	0	108.3	K101 Q102 D104	N91-K101 WeakPolarHBondContact O-CA 3.47Å; N91-Q102 PolarHBondContact N-O 3.22Å; N91-Q102 PolarHBondContact O-N 2.88Å; N91-D104 PolarHBondContact ND2-OD1 2.81Å
92	E	97.2	Very high	97.7	Very high	161 Å²	161	63.6 Å²	63.6	75%	0.752	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.8	171.8	-68.4	-177	176.3	0	0	109.5	K101	E92-K101 HydrophobicContact CG-CG 4.1Å
93	K	96.4	Very high	97.6	Very high	72 Å²	72	61.6 Å²	61.6	31%	0.313	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121	175.2	-65.2	-162.7	65.9	152.5	0	107.9	Y98 K99 F100 Q102	K93-Y98 HydrophobicContact CB-CD2 4.21Å; K93-Y98 HydrophobicContact CB-CE2 3.83Å; K93-K99 CarbonylContact O-C 3.55Å; K93-K99 VanDerWaalsContact O-CA 3.28Å; K93-K99 WeakPolarHBondContact O-CA 3.45Å; K93-F100 HydrophobicContact CB-CE1 4.45Å; K93-F100 HydrophobicContact CD-CZ 4.37Å; K93-F100 PolarHBondContact N-O 2.92Å; K93-F100 PolarHBondContact O-N 2.66Å; K93-F100 VanDerWaalsContact O-O 3.13Å; K93-Q102 HydrophobicContact CD-CB 3.6Å; K93-Q102 HydrophobicContact CD-CG 4.36Å; K93-Q102 HydrophobicContact CG-CB 4.15Å
94	S	96	Very high	97.5	Very high	78 Å²	78	58.9 Å²	58.9	55%	0.545	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	127.9	178.4	179	0	0	0	0	109.5	Y98 K502	S94-Y98 VanDerWaalsContact CA-O 3.32Å; S94-Y98 WeakPolarHBondContact CA-O 3.43Å; S94-K502 PolarHBondContact OG-NZ 2.86Å
95	N	95.9	Very high	97.3	Very high	50 Å²	50	61.8 Å²	61.8	27%	0.267	31%	0.309	S	S	.	.	S	Bend	trans	-144.8	-163.3	168.1	66	-5.6	0	0	0	108.4	L97 Y98 K502	N95-L97 VanDerWaalsContact C-N 3.33Å; N95-L97 PolarHBondContact O-N 2.83Å; N95-L97 PolarHBondContact OD1-N 2.6Å; N95-Y98 HydrophobicContact CB-CE2 4.32Å; N95-Y98 VanDerWaalsContact CG-CZ 3.49Å; N95-Y98 PolarHBondContact N-O 2.8Å; N95-Y98 WeakPolarHBondContact ND2-CE1 3.27Å; N95-Y98 VanDerWaalsContact ND2-CZ 3.27Å; N95-Y98 PolarHBondContact ND2-OH 2.77Å; N95-Y98 VanDerWaalsContact O-O 3.11Å; N95-Y98 WeakPolarHBondContact OD1-CD1 3.42Å; N95-Y98 VanDerWaalsContact OD1-CD2 3.25Å; N95-Y98 WeakPolarHBondContact OD1-CD2 3.19Å; N95-Y98 WeakPolarHBondContact OD1-CE1 3.38Å; N95-Y98 VanDerWaalsContact OD1-CE2 3.31Å; N95-Y98 WeakPolarHBondContact OD1-CE2 3.32Å; N95-Y98 VanDerWaalsContact OD1-CG 3.24Å; N95-Y98 PolarHBondContact OD1-N 3.15Å; N95-K502 PolarHBondContact O-NZ 2.89Å
96	D	97	Very high	97.2	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.102	31%	0.31	C	S	.	.	S	Bend	trans	-57.3	-43.8	173.3	65.4	-45.2	0	0	0	113	L435 L436 F500	D96-L435 VanDerWaalsContact C-CD2 3.5Å; D96-L435 HydrophobicContact CB-CD2 4.21Å; D96-L435 VanDerWaalsContact O-CD2 3.26Å; D96-L435 WeakPolarHBondContact O-CD2 3.4Å; D96-L436 HydrophobicContact CB-CG 4.44Å; D96-L436 PolarHBondContact OD2-N 2.84Å; D96-F500 HydrophobicContact CB-CB 4Å; D96-F500 HydrophobicContact CB-CD1 3.68Å; D96-F500 HydrophobicContact CB-CD2 3.43Å; D96-F500 VanDerWaalsContact CB-CD2 3.43Å; D96-F500 HydrophobicContact CB-CE1 3.94Å; D96-F500 HydrophobicContact CB-CE2 3.73Å; D96-F500 HydrophobicContact CB-CG 3.41Å; D96-F500 VanDerWaalsContact CB-CG 3.41Å; D96-F500 HydrophobicContact CB-CZ 3.97Å
97	L	98.1	Very high	97.1	Very high	36 Å²	36	62.8 Å²	62.8	19%	0.188	31%	0.311	C	S	.	.	S	Bend	trans	-76.2	-34.1	-173.2	-177	66.5	0	0	0	114.1	N95 L154 L155 H157 L435	N95-L97 VanDerWaalsContact C-N 3.33Å; N95-L97 PolarHBondContact O-N 2.83Å; N95-L97 PolarHBondContact OD1-N 2.6Å; L97-L154 HydrophobicContact CD2-CD1 4.11Å; L97-L154 HydrophobicContact CG-CD1 3.96Å; L97-L155 HydrophobicContact CD1-CB 4.07Å; L97-L155 WeakPolarHBondContact O-CB 3.44Å; L97-L155 WeakPolarHBondContact O-CG 3.29Å; L97-L155 PolarHBondContact O-N 3.2Å; L97-H157 HydrophobicContact CD1-CB 4.16Å; L97-H157 HydrophobicContact CD2-CB 4.2Å; L97-L435 HydrophobicContact CB-CD2 4.38Å; L97-L435 HydrophobicContact CD1-CD1 3.9Å; L97-L435 HydrophobicContact CD1-CD2 4.32Å
98	Y	98.4	Very high	97	Very high	54 Å²	54	64.3 Å²	64.3	21%	0.212	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.9	-170.3	54.8	-114.7	0	0	0	114.5	K93 S94 N95 F100 V153 L154 K502	K93-Y98 HydrophobicContact CB-CD2 4.21Å; K93-Y98 HydrophobicContact CB-CE2 3.83Å; S94-Y98 VanDerWaalsContact CA-O 3.32Å; S94-Y98 WeakPolarHBondContact CA-O 3.43Å; N95-Y98 HydrophobicContact CB-CE2 4.32Å; N95-Y98 VanDerWaalsContact CG-CZ 3.49Å; N95-Y98 PolarHBondContact N-O 2.8Å; N95-Y98 WeakPolarHBondContact ND2-CE1 3.27Å; N95-Y98 VanDerWaalsContact ND2-CZ 3.27Å; N95-Y98 PolarHBondContact ND2-OH 2.77Å; N95-Y98 VanDerWaalsContact O-O 3.11Å; N95-Y98 WeakPolarHBondContact OD1-CD1 3.42Å; N95-Y98 VanDerWaalsContact OD1-CD2 3.25Å; N95-Y98 WeakPolarHBondContact OD1-CD2 3.19Å; N95-Y98 WeakPolarHBondContact OD1-CE1 3.38Å; N95-Y98 VanDerWaalsContact OD1-CE2 3.31Å; N95-Y98 WeakPolarHBondContact OD1-CE2 3.32Å; N95-Y98 VanDerWaalsContact OD1-CG 3.24Å; N95-Y98 PolarHBondContact OD1-N 3.15Å; Y98-F100 HydrophobicContact CD1-CE1 4.19Å; Y98-F100 HydrophobicContact CD2-CD1 4.04Å; Y98-F100 AromaticContact CD2-CE1 3.7Å; Y98-F100 HydrophobicContact CD2-CE1 3.7Å; Y98-F100 HydrophobicContact CE2-CE1 4.34Å; Y98-F100 HydrophobicContact CG-CD1 4.08Å; Y98-F100 AromaticContact CG-CE1 3.65Å; Y98-F100 HydrophobicContact CG-CE1 3.65Å; Y98-V153 WeakPolarHBondContact CA-O 3.25Å; Y98-L154 HydrophobicContact CD1-CD1 3.9Å; Y98-L154 HydrophobicContact CG-CD1 4.3Å; Y98-K502 PolarHBondContact O-NZ 2.86Å; Y98-K502 VanDerWaalsContact O-NZ 3.09Å
99	K	98.5	Very high	96.9	Very high	68 Å²	68	66.4 Å²	66.4	30%	0.296	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	114	164.3	-178.7	-171.3	169.6	-168.2	0	107.9	K93 T151 D152 V153	K93-K99 CarbonylContact O-C 3.55Å; K93-K99 VanDerWaalsContact O-CA 3.28Å; K93-K99 WeakPolarHBondContact O-CA 3.45Å; K99-T151 PolarHBondContact NZ-OG1 3.16Å; K99-D152 CarbonylContact O-C 3.58Å; K99-D152 WeakPolarHBondContact O-CA 3.41Å; K99-D152 WeakPolarHBondContact O-CB 3.48Å; K99-V153 PolarHBondContact N-O 3.33Å; K99-V153 PolarHBondContact O-N 3.44Å
100	F	98.6	Very high	96.8	Very high	16 Å²	16	69.6 Å²	69.6	7%	0.07	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-177.7	175.8	67.3	-80.3	0	0	0	110.7	K93 Y98 Q102 A146 Y148 D152	K93-F100 HydrophobicContact CB-CE1 4.45Å; K93-F100 HydrophobicContact CD-CZ 4.37Å; K93-F100 PolarHBondContact N-O 2.92Å; K93-F100 PolarHBondContact O-N 2.66Å; K93-F100 VanDerWaalsContact O-O 3.13Å; Y98-F100 HydrophobicContact CD1-CE1 4.19Å; Y98-F100 HydrophobicContact CD2-CD1 4.04Å; Y98-F100 AromaticContact CD2-CE1 3.7Å; Y98-F100 HydrophobicContact CD2-CE1 3.7Å; Y98-F100 HydrophobicContact CE2-CE1 4.34Å; Y98-F100 HydrophobicContact CG-CD1 4.08Å; Y98-F100 AromaticContact CG-CE1 3.65Å; Y98-F100 HydrophobicContact CG-CE1 3.65Å; F100-Q102 HydrophobicContact CD2-CB 4.39Å; F100-Q102 HydrophobicContact CE2-CB 3.75Å; F100-Q102 HydrophobicContact CE2-CG 4.11Å; F100-A146 HydrophobicContact CD2-CB 4.04Å; F100-A146 HydrophobicContact CE2-CB 4.03Å; F100-Y148 HydrophobicContact CB-CD1 3.72Å; F100-Y148 HydrophobicContact CB-CD2 4.29Å; F100-Y148 HydrophobicContact CB-CE1 3.58Å; F100-Y148 HydrophobicContact CB-CE2 4.16Å; F100-Y148 HydrophobicContact CB-CG 4.05Å; F100-Y148 HydrophobicContact CD1-CE1 4.15Å; F100-Y148 HydrophobicContact CD2-CE2 4.08Å; F100-Y148 AromaticContact CG-CE1 3.91Å; F100-Y148 HydrophobicContact CG-CE1 3.91Å; F100-Y148 HydrophobicContact CG-CE2 4.14Å; F100-Y148 AromaticContact CG-CZ 3.68Å; F100-D152 HydrophobicContact CB-CB 4.29Å
101	K	98.6	Very high	96.8	Very high	55 Å²	55	70.5 Å²	70.5	24%	0.239	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.4	175.8	-73.4	172.7	-171.6	168.3	0	110.9	F90 N91 E92 A146 K147 E149	F90-K101 HydrophobicContact CB-CB 4.09Å; F90-K101 HydrophobicContact CD1-CB 4.29Å; N91-K101 WeakPolarHBondContact O-CA 3.47Å; E92-K101 HydrophobicContact CG-CG 4.1Å; K101-A146 WeakPolarHBondContact O-CA 3.3Å; K101-K147 HydrophobicContact CB-CB 4.04Å; K101-K147 PolarHBondContact N-O 3.33Å; K101-K147 PolarHBondContact O-N 3.03Å; K101-E149 IonicContact NZ-OE2 3.74Å; K101-E149 PolarHBondContact NZ-OE2 3.22Å
102	Q	98.1	Very high	96.8	Very high	41 Å²	41	69.5 Å²	69.5	19%	0.192	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.2	179.3	-161.1	174.2	44.1	0	0	111.3	F90 N91 K93 F100 S144 C145	F90-Q102 WeakPolarHBondContact CA-O 3.46Å; N91-Q102 PolarHBondContact N-O 3.22Å; N91-Q102 PolarHBondContact O-N 2.88Å; K93-Q102 HydrophobicContact CD-CB 3.6Å; K93-Q102 HydrophobicContact CD-CG 4.36Å; K93-Q102 HydrophobicContact CG-CB 4.15Å; F100-Q102 HydrophobicContact CD2-CB 4.39Å; F100-Q102 HydrophobicContact CE2-CB 3.75Å; F100-Q102 HydrophobicContact CE2-CG 4.11Å; Q102-S144 PolarHBondContact NE2-OG 2.64Å; Q102-C145 WeakPolarHBondContact CA-O 3.39Å
103	S	97.9	Very high	96.9	Very high	6 Å²	6	62.6 Å²	62.6	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	167.2	169.1	73.2	0	0	0	0	111.5	N89 C145	N89-S103 WeakPolarHBondContact O-CA 3.29Å; S103-C145 PolarHBondContact N-O 2.92Å; S103-C145 WeakPolarHBondContact OG-CB 3.43Å; S103-C145 PolarHBondContact OG-N 2.96Å; S103-C145 VanDerWaalsContact OG-N 3.08Å
104	D	94.6	Very high	97	Very high	72 Å²	72	59.3 Å²	59.3	39%	0.385	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-56.9	159.1	159.4	-51.2	-43	0	0	0	110.8	N91 L106 R109	N91-D104 PolarHBondContact ND2-OD1 2.81Å; D104-L106 WeakPolarHBondContact O-CD2 3.16Å; D104-L106 PolarHBondContact O-N 3.46Å; D104-R109 IonicContact OD2-NH2 2.66Å; D104-R109 PolarHBondContact OD2-NH2 3.15Å; D104-R109 VanDerWaalsContact OD2-NH2 3.08Å
105	D	93.8	Very high	97	Very high	87 Å²	87	56.8 Å²	56.8	47%	0.465	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-52.7	131	172.6	170.3	30.1	0	0	0	111.6	K107	D105-K107 VanDerWaalsContact C-N 3.31Å; D105-K107 PolarHBondContact O-N 2.86Å; D105-K107 WeakPolarHBondContact OD1-CB 3.45Å; D105-K107 PolarHBondContact OD1-N 3.43Å; D105-K107 WeakPolarHBondContact OD2-CB 3.22Å
106	L	97.1	Very high	97.1	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-86.7	0.2	-176.4	-51.1	-179.6	0	0	0	113.1	L85 L88 D104 K108 R109 I114 R118 I143 C145 L235	L85-L106 HydrophobicContact CD2-CD1 4.01Å; L88-L106 HydrophobicContact CD1-CD2 3.56Å; D104-L106 WeakPolarHBondContact O-CD2 3.16Å; D104-L106 PolarHBondContact O-N 3.46Å; L106-K108 VanDerWaalsContact C-N 3.27Å; L106-K108 PolarHBondContact O-N 2.95Å; L106-K108 VanDerWaalsContact O-N 3.17Å; L106-R109 HydrophobicContact CB-CG 4.32Å; L106-R109 HydrophobicContact CD2-CG 3.93Å; L106-R109 PolarHBondContact O-N 2.84Å; L106-I114 HydrophobicContact CB-CG2 4.21Å; L106-I114 HydrophobicContact CD1-CG2 4.43Å; L106-R118 PolarHBondContact O-NH1 3.12Å; L106-I143 HydrophobicContact CB-CG2 4.17Å; L106-I143 HydrophobicContact CD1-CG1 4.4Å; L106-I143 PolarHBondContact N-O 2.95Å; L106-I143 VanDerWaalsContact N-O 3.08Å; L106-C145 HydrophobicContact CD1-CB 4.25Å; L106-L235 HydrophobicContact CD1-CD2 3.33Å
107	K	95.4	Very high	97.2	Very high	97 Å²	97	54 Å²	54	42%	0.422	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-50.6	-41.1	-179.4	-176.5	169	-172.6	165.4	0	114.5	D105 R118 V141	D105-K107 VanDerWaalsContact C-N 3.31Å; D105-K107 PolarHBondContact O-N 2.86Å; D105-K107 WeakPolarHBondContact OD1-CB 3.45Å; D105-K107 PolarHBondContact OD1-N 3.43Å; D105-K107 WeakPolarHBondContact OD2-CB 3.22Å; K107-R118 PolarHBondContact O-NH1 3.04Å; K107-V141 HydrophobicContact CB-CG1 4.09Å; K107-V141 HydrophobicContact CD-CB 4.49Å; K107-V141 HydrophobicContact CG-CB 4.07Å; K107-V141 HydrophobicContact CG-CG1 4.12Å
108	K	94.6	Very high	97.1	Very high	178 Å²	178	54.6 Å²	54.6	77%	0.774	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-105.8	2	-174.4	-63.2	179.5	-174.8	169.4	0	114.2	L106	L106-K108 VanDerWaalsContact C-N 3.27Å; L106-K108 PolarHBondContact O-N 2.95Å; L106-K108 VanDerWaalsContact O-N 3.17Å
109	R	95.8	Very high	97	Very high	58 Å²	58	55.2 Å²	55.2	22%	0.219	27%	0.273	C	S	.	.			trans	-63.6	144	178.9	-72.5	-72	180	172.1	-1.9	111.5	D104 L106 E111 I114 R118	D104-R109 IonicContact OD2-NH2 2.66Å; D104-R109 PolarHBondContact OD2-NH2 3.15Å; D104-R109 VanDerWaalsContact OD2-NH2 3.08Å; L106-R109 HydrophobicContact CB-CG 4.32Å; L106-R109 HydrophobicContact CD2-CG 3.93Å; L106-R109 PolarHBondContact O-N 2.84Å; R109-E111 VanDerWaalsContact CB-OE2 3.27Å; R109-E111 WeakPolarHBondContact CB-OE2 3.46Å; R109-E111 WeakPolarHBondContact CD-OE1 3.2Å; R109-E111 WeakPolarHBondContact CD-OE2 3.38Å; R109-E111 IonicContact NH1-OE1 3.96Å; R109-E111 PolarHBondContact NH1-OE1 2.83Å; R109-E111 VanDerWaalsContact NH1-OE1 3.12Å; R109-I114 HydrophobicContact CB-CG2 3.8Å; R109-R118 PolarHBondContact O-NH1 3.3Å; R109-R118 PolarHBondContact O-NH2 3.24Å
110	K	96.2	Very high	96.9	Very high	186 Å²	186	52.2 Å²	52.2	81%	0.809	26%	0.261	S	S	*	.			trans	-120.2	-7.2	-169.5	-66.5	-175	-179	175.8	0	113.7
111	E	97.4	Very high	96.9	Very high	58 Å²	58	51.4 Å²	51.4	27%	0.271	26%	0.258	S	S	.	.			trans	-51.9	130.4	171	-59	85.2	159.6	0	0	108.2	E84 R109 H113 I114 A115	E84-E111 HydrophobicContact CG-CB 4.42Å; E84-E111 VanDerWaalsContact OE2-CB 3.31Å; E84-E111 WeakPolarHBondContact OE2-CB 3.4Å; R109-E111 VanDerWaalsContact CB-OE2 3.27Å; R109-E111 WeakPolarHBondContact CB-OE2 3.46Å; R109-E111 WeakPolarHBondContact CD-OE1 3.2Å; R109-E111 WeakPolarHBondContact CD-OE2 3.38Å; R109-E111 IonicContact NH1-OE1 3.96Å; R109-E111 PolarHBondContact NH1-OE1 2.83Å; R109-E111 VanDerWaalsContact NH1-OE1 3.12Å; E111-H113 PolarHBondContact O-N 2.94Å; E111-I114 HydrophobicContact CB-CB 4.27Å; E111-I114 HydrophobicContact CB-CD1 4.05Å; E111-I114 HydrophobicContact CB-CG1 4.27Å; E111-I114 HydrophobicContact CG-CD1 4.39Å; E111-I114 PolarHBondContact O-N 2.96Å; E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.3Å; E111-A115 PolarHBondContact O-N 2.86Å
112	P	97.6	Very high	96.8	Very high	66 Å²	66	49.4 Å²	49.4	43%	0.429	25%	0.249	S	C	.	.	H	α-helix	trans	-64.2	-37.8	-161.3	20.9	-31.7	0	0	0	113.9	E24 E84 A116	E24-P112 HydrophobicContact CB-CB 4.37Å; E24-P112 HydrophobicContact CG-CB 3.83Å; E84-P112 WeakPolarHBondContact OE1-CD 3.21Å; E84-P112 VanDerWaalsContact OE1-CG 3.25Å; E84-P112 WeakPolarHBondContact OE1-CG 3.31Å; P112-A116 VanDerWaalsContact O-CB 3.28Å; P112-A116 WeakPolarHBondContact O-CB 3.24Å; P112-A116 PolarHBondContact O-N 2.75Å
113	H	98.4	Very high	96.7	Very high	16 Å²	16	48.7 Å²	48.7	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-75.7	-39.7	179.3	-58	75.1	0	0	0	110.8	F77 N80 L81 E84 E111 A115 A116 I117	F77-H113 AromaticContact CD2-CD2 3.45Å; F77-H113 VanDerWaalsContact CD2-CD2 3.45Å; F77-H113 WeakPolarHBondContact CD2-CD2 3.28Å; F77-H113 HydrophobicContact CE2-CB 4.11Å; F77-H113 AromaticContact CE2-CD2 3.61Å; F77-H113 HydrophobicContact CZ-CB 4.07Å; N80-H113 WeakPolarHBondContact CB-CD2 3.35Å; N80-H113 VanDerWaalsContact CB-CE1 3.47Å; N80-H113 WeakPolarHBondContact CB-CE1 3.38Å; N80-H113 WeakPolarHBondContact CB-NE2 3.3Å; N80-H113 PolarHBondContact ND2-NE2 3.27Å; N80-H113 VanDerWaalsContact ND2-NE2 3.14Å; L81-H113 HydrophobicContact CB-CB 4.01Å; L81-H113 HydrophobicContact CD1-CB 4.11Å; E84-H113 IonicContact OE1-CE1 3.18Å; E84-H113 IonicContact OE1-CG 2.88Å; E84-H113 PolarHBondContact OE1-N 3.49Å; E84-H113 IonicContact OE1-ND1 2.68Å; E84-H113 PolarHBondContact OE1-ND1 2.88Å; E84-H113 WeakPolarHBondContact OE2-CA 3.46Å; E84-H113 VanDerWaalsContact OE2-CB 3.3Å; E84-H113 WeakPolarHBondContact OE2-CB 3.42Å; E84-H113 PolarHBondContact OE2-N 2.92Å; E84-H113 IonicContact OE2-ND1 2.69Å; E111-H113 PolarHBondContact O-N 2.94Å; H113-A115 VanDerWaalsContact C-N 3.35Å; H113-A115 PolarHBondContact O-N 3.25Å; H113-A116 PolarHBondContact O-N 3.45Å; H113-I117 WeakPolarHBondContact O-CG2 3.3Å; H113-I117 PolarHBondContact O-N 3.45Å
114	I	98.3	Very high	96.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-44.3	172.7	-62.2	178.5	0	0	0	111.1	L81 E84 L85 L88 L106 R109 E111 I117 R118	L81-I114 HydrophobicContact CD1-CG1 4.04Å; E84-I114 HydrophobicContact CB-CD1 4.15Å; E84-I114 HydrophobicContact CB-CG1 4.15Å; E84-I114 PolarHBondContact OE2-N 3.38Å; L85-I114 HydrophobicContact CD2-CD1 3.85Å; L85-I114 HydrophobicContact CD2-CG1 3.96Å; L85-I114 HydrophobicContact CG-CG1 4.5Å; L88-I114 HydrophobicContact CD1-CD1 4.2Å; L88-I114 HydrophobicContact CD2-CD1 4.2Å; L88-I114 HydrophobicContact CG-CD1 4.45Å; L106-I114 HydrophobicContact CB-CG2 4.21Å; L106-I114 HydrophobicContact CD1-CG2 4.43Å; R109-I114 HydrophobicContact CB-CG2 3.8Å; E111-I114 HydrophobicContact CB-CB 4.27Å; E111-I114 HydrophobicContact CB-CD1 4.05Å; E111-I114 HydrophobicContact CB-CG1 4.27Å; E111-I114 HydrophobicContact CG-CD1 4.39Å; E111-I114 PolarHBondContact O-N 2.96Å; I114-I117 VanDerWaalsContact O-CG2 3.3Å; I114-I117 WeakPolarHBondContact O-CG2 3.39Å; I114-R118 WeakPolarHBondContact O-CB 3.31Å; I114-R118 PolarHBondContact O-N 2.92Å; I114-R118 VanDerWaalsContact O-N 3.09Å
115	A	97.7	Very high	96.6	Very high	26 Å²	26	49.3 Å²	49.3	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-40.3	178.4	0	0	0	0	0	112.2	E111 H113 A119	E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.3Å; E111-A115 PolarHBondContact O-N 2.86Å; H113-A115 VanDerWaalsContact C-N 3.35Å; H113-A115 PolarHBondContact O-N 3.25Å; A115-A119 WeakPolarHBondContact O-CB 3.15Å; A115-A119 PolarHBondContact O-N 2.95Å; A115-A119 VanDerWaalsContact O-N 3.08Å
116	A	97.6	Very high	96.8	Very high	10 Å²	10	47.6 Å²	47.6	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-46.6	178.3	0	0	0	0	0	112.3	E24 V26 F77 P112 H113 R118 A119 A120	E24-A116 HydrophobicContact CB-CB 4.15Å; E24-A116 WeakPolarHBondContact O-CB 3.48Å; V26-A116 HydrophobicContact CG1-CB 4.4Å; V26-A116 WeakPolarHBondContact CG1-O 3.45Å; F77-A116 HydrophobicContact CE2-CB 3.75Å; F77-A116 HydrophobicContact CZ-CB 3.8Å; P112-A116 VanDerWaalsContact O-CB 3.28Å; P112-A116 WeakPolarHBondContact O-CB 3.24Å; P112-A116 PolarHBondContact O-N 2.75Å; H113-A116 PolarHBondContact O-N 3.45Å; A116-R118 VanDerWaalsContact C-N 3.34Å; A116-R118 PolarHBondContact O-N 2.93Å; A116-A119 PolarHBondContact O-N 3.24Å; A116-A120 PolarHBondContact O-N 3.25Å
117	I	97.8	Very high	96.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-38.8	178.5	-170.9	54.7	0	0	0	111.8	F71 L72 F77 L81 H113 I114 A119 A120 L121 L170 L235	F71-I117 HydrophobicContact CE1-CD1 4.42Å; L72-I117 HydrophobicContact CD2-CD1 3.56Å; F77-I117 HydrophobicContact CE1-CB 4.42Å; F77-I117 HydrophobicContact CZ-CB 4.43Å; L81-I117 HydrophobicContact CD1-CG2 3.8Å; L81-I117 HydrophobicContact CD2-CB 4.12Å; L81-I117 HydrophobicContact CD2-CG1 4.13Å; L81-I117 HydrophobicContact CD2-CG2 4.07Å; H113-I117 WeakPolarHBondContact O-CG2 3.3Å; H113-I117 PolarHBondContact O-N 3.45Å; I114-I117 VanDerWaalsContact O-CG2 3.3Å; I114-I117 WeakPolarHBondContact O-CG2 3.39Å; I117-A119 PolarHBondContact O-N 3.33Å; I117-A120 PolarHBondContact O-N 3.26Å; I117-L121 HydrophobicContact CD1-CD1 4.27Å; I117-L121 HydrophobicContact CD1-CG 4.1Å; I117-L121 HydrophobicContact CG1-CD1 3.93Å; I117-L121 HydrophobicContact CG1-CG 4.26Å; I117-L121 WeakPolarHBondContact O-CB 3.25Å; I117-L121 WeakPolarHBondContact O-CG 3.37Å; I117-L121 PolarHBondContact O-N 3.48Å; I117-L170 HydrophobicContact CD1-CD2 4.46Å; I117-L235 HydrophobicContact CG1-CD1 4.39Å; I117-L235 HydrophobicContact CG2-CD1 4.13Å
118	R	97.2	Very high	96.8	Very high	47 Å²	47	46.6 Å²	46.6	18%	0.177	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-46.8	173.5	179.3	-176.6	59.1	-127.7	1.1	111.4	L106 K107 R109 I114 A116 A120 L121 F122 V141	L106-R118 PolarHBondContact O-NH1 3.12Å; K107-R118 PolarHBondContact O-NH1 3.04Å; R109-R118 PolarHBondContact O-NH1 3.3Å; R109-R118 PolarHBondContact O-NH2 3.24Å; I114-R118 WeakPolarHBondContact O-CB 3.31Å; I114-R118 PolarHBondContact O-N 2.92Å; I114-R118 VanDerWaalsContact O-N 3.09Å; A116-R118 VanDerWaalsContact C-N 3.34Å; A116-R118 PolarHBondContact O-N 2.93Å; R118-A120 VanDerWaalsContact C-N 3.26Å; R118-A120 PolarHBondContact O-N 2.97Å; R118-L121 PolarHBondContact O-N 3.32Å; R118-F122 HydrophobicContact CG-CD2 4.08Å; R118-F122 WeakPolarHBondContact O-CD2 3.4Å; R118-F122 PolarHBondContact O-N 3.36Å; R118-V141 HydrophobicContact CG-CG1 3.83Å; R118-V141 HydrophobicContact CG-CG2 4.27Å
119	A	96.5	Very high	96.9	Very high	67 Å²	67	38.1 Å²	38.1	55%	0.554	20%	0.202	S	C	*	.	H	α-helix	trans	-62.7	-34.8	178.4	0	0	0	0	0	112.3	A115 A116 I117 G123	A115-A119 WeakPolarHBondContact O-CB 3.15Å; A115-A119 PolarHBondContact O-N 2.95Å; A115-A119 VanDerWaalsContact O-N 3.08Å; A116-A119 PolarHBondContact O-N 3.24Å; I117-A119 PolarHBondContact O-N 3.33Å; A119-G123 VanDerWaalsContact O-CA 3.29Å; A119-G123 WeakPolarHBondContact O-CA 3.22Å; A119-G123 PolarHBondContact O-N 3.28Å
120	A	96.2	Very high	97	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	20%	0.196	C	C	.	.	I	π-helix	trans	-73.7	-46.6	177.9	0	0	0	0	0	113.2	V26 L28 A116 I117 R118 R124 F125	V26-A120 HydrophobicContact CG1-CB 3.26Å; L28-A120 HydrophobicContact CD2-CB 4.19Å; A116-A120 PolarHBondContact O-N 3.25Å; I117-A120 PolarHBondContact O-N 3.26Å; R118-A120 VanDerWaalsContact C-N 3.26Å; R118-A120 PolarHBondContact O-N 2.97Å; A120-R124 HydrophobicContact CB-CG 4.22Å; A120-R124 WeakPolarHBondContact O-CG 3.41Å; A120-R124 PolarHBondContact O-N 3.01Å; A120-F125 WeakPolarHBondContact O-CB 3.26Å; A120-F125 PolarHBondContact O-N 3.23Å
121	L	97.4	Very high	97	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-61.8	-55.4	178.7	-74.2	171.9	0	0	0	111.3	F71 I117 R118 G123 F125 R126 I143 F168 L209 F239	F71-L121 HydrophobicContact CE1-CD2 3.87Å; F71-L121 HydrophobicContact CZ-CD2 3.89Å; I117-L121 HydrophobicContact CD1-CD1 4.27Å; I117-L121 HydrophobicContact CD1-CG 4.1Å; I117-L121 HydrophobicContact CG1-CD1 3.93Å; I117-L121 HydrophobicContact CG1-CG 4.26Å; I117-L121 WeakPolarHBondContact O-CB 3.25Å; I117-L121 WeakPolarHBondContact O-CG 3.37Å; I117-L121 PolarHBondContact O-N 3.48Å; R118-L121 PolarHBondContact O-N 3.32Å; L121-G123 VanDerWaalsContact C-N 3.31Å; L121-G123 PolarHBondContact O-N 2.94Å; L121-F125 HydrophobicContact CD2-CD1 3.88Å; L121-F125 HydrophobicContact CD2-CE1 4.44Å; L121-R126 WeakPolarHBondContact O-CB 3.29Å; L121-R126 PolarHBondContact O-N 3.23Å; L121-I143 HydrophobicContact CD1-CD1 3.79Å; L121-F168 HydrophobicContact CD1-CE2 3.77Å; L121-F168 HydrophobicContact CD1-CZ 4.03Å; L121-L209 HydrophobicContact CD2-CD1 4.05Å; L121-F239 HydrophobicContact CB-CZ 4.43Å; L121-F239 WeakPolarHBondContact O-CE1 3.25Å
122	F	97.4	Very high	97	Very high	13 Å²	13	27.9 Å²	27.9	6%	0.057	17%	0.165	C	C	.	.	I	π-helix	trans	-86.6	-1.4	-174.7	-62.7	-83.4	0	0	0	114	R118 R126 T140 V141 D142 I143 F168 F239	R118-F122 HydrophobicContact CG-CD2 4.08Å; R118-F122 WeakPolarHBondContact O-CD2 3.4Å; R118-F122 PolarHBondContact O-N 3.36Å; F122-R126 PolarHBondContact O-NE 2.73Å; F122-T140 WeakPolarHBondContact CD1-O 3.24Å; F122-T140 WeakPolarHBondContact CE1-O 3.46Å; F122-V141 HydrophobicContact CB-CG2 4.02Å; F122-V141 HydrophobicContact CD1-CG2 4.38Å; F122-V141 HydrophobicContact CD2-CB 4.38Å; F122-V141 HydrophobicContact CD2-CG1 4.01Å; F122-V141 HydrophobicContact CD2-CG2 4.09Å; F122-V141 HydrophobicContact CE2-CG1 3.95Å; F122-V141 HydrophobicContact CG-CB 4.38Å; F122-V141 HydrophobicContact CG-CG1 4.5Å; F122-V141 HydrophobicContact CG-CG2 3.89Å; F122-V141 HydrophobicContact CZ-CG1 4.37Å; F122-D142 WeakPolarHBondContact CZ-O 3.34Å; F122-I143 HydrophobicContact CE2-CB 3.86Å; F122-I143 HydrophobicContact CE2-CD1 4.36Å; F122-I143 HydrophobicContact CE2-CG2 3.72Å; F122-I143 HydrophobicContact CZ-CB 4.02Å; F122-I143 HydrophobicContact CZ-CG2 4.21Å; F122-F168 HydrophobicContact CE2-CZ 4.45Å; F122-F168 AromaticContact CZ-CE1 3.94Å; F122-F168 HydrophobicContact CZ-CE1 3.94Å; F122-F168 HydrophobicContact CZ-CZ 4.12Å; F122-F239 HydrophobicContact CD1-CD1 4.05Å; F122-F239 AromaticContact CD1-CE1 3.92Å; F122-F239 HydrophobicContact CD1-CE1 3.92Å; F122-F239 HydrophobicContact CE1-CD1 4.06Å; F122-F239 HydrophobicContact CE1-CE1 4Å; F122-F239 HydrophobicContact CG-CE1 4.47Å
123	G	95.5	Very high	96.9	Very high	26 Å²	26	26.1 Å²	26.1	27%	0.268	15%	0.152	S	C	.	.	I	π-helix	trans	-103.9	-98.4	172.2	0	0	0	0	0	111.5	A119 L121 F125 R126 S127	A119-G123 VanDerWaalsContact O-CA 3.29Å; A119-G123 WeakPolarHBondContact O-CA 3.22Å; A119-G123 PolarHBondContact O-N 3.28Å; L121-G123 VanDerWaalsContact C-N 3.31Å; L121-G123 PolarHBondContact O-N 2.94Å; G123-F125 PolarHBondContact O-N 3.17Å; G123-R126 PolarHBondContact O-N 3.28Å; G123-S127 PolarHBondContact O-N 2.98Å; G123-S127 VanDerWaalsContact O-N 3.16Å; G123-S127 PolarHBondContact O-OG 3.03Å
124	R	93.5	Very high	96.8	Very high	90 Å²	90	28.3 Å²	28.3	34%	0.34	18%	0.178	S	C	.	.	I	π-helix	trans	-58.6	-45.5	-174.8	48.3	177.8	-86.5	164.2	5.5	113.4	L28 E33 A120 S127 W128	L28-R124 HydrophobicContact CD1-CG 4.3Å; L28-R124 VanDerWaalsContact CD1-NE 3.26Å; L28-R124 VanDerWaalsContact CG-NH2 3.29Å; E33-R124 IonicContact OE1-CZ 3.95Å; E33-R124 IonicContact OE1-NH1 2.77Å; E33-R124 PolarHBondContact OE1-NH1 3.06Å; E33-R124 IonicContact OE1-NH2 3.06Å; E33-R124 PolarHBondContact OE1-NH2 3.01Å; A120-R124 HydrophobicContact CB-CG 4.22Å; A120-R124 WeakPolarHBondContact O-CG 3.41Å; A120-R124 PolarHBondContact O-N 3.01Å; R124-S127 PolarHBondContact O-N 3.04Å; R124-W128 PolarHBondContact O-N 2.99Å; R124-W128 VanDerWaalsContact O-N 3.12Å
125	F	97.1	Very high	96.6	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	19%	0.186	C	C	.	.	I	π-helix	trans	-72.6	-39.7	-176.4	-172.3	-114.6	0	0	0	112.1	L28 V32 I68 F71 A120 L121 G123 S127 W128 L129 L209 F239	L28-F125 HydrophobicContact CD1-CB 3.83Å; L28-F125 HydrophobicContact CD1-CD2 4.18Å; L28-F125 HydrophobicContact CD1-CG 4.3Å; V32-F125 HydrophobicContact CG1-CD2 3.9Å; V32-F125 HydrophobicContact CG1-CE2 4.02Å; I68-F125 HydrophobicContact CD1-CE2 4.09Å; I68-F125 HydrophobicContact CD1-CZ 4.16Å; F71-F125 HydrophobicContact CE2-CD2 4.01Å; F71-F125 AromaticContact CE2-CE2 3.82Å; F71-F125 HydrophobicContact CE2-CE2 3.82Å; F71-F125 HydrophobicContact CE2-CG 4.49Å; F71-F125 HydrophobicContact CE2-CZ 4.14Å; F71-F125 HydrophobicContact CZ-CD1 4.38Å; F71-F125 HydrophobicContact CZ-CD2 4.16Å; F71-F125 HydrophobicContact CZ-CE2 4.3Å; F71-F125 HydrophobicContact CZ-CG 4.2Å; F71-F125 HydrophobicContact CZ-CZ 4.47Å; A120-F125 WeakPolarHBondContact O-CB 3.26Å; A120-F125 PolarHBondContact O-N 3.23Å; L121-F125 HydrophobicContact CD2-CD1 3.88Å; L121-F125 HydrophobicContact CD2-CE1 4.44Å; G123-F125 PolarHBondContact O-N 3.17Å; F125-S127 VanDerWaalsContact C-N 3.33Å; F125-S127 PolarHBondContact O-N 2.98Å; F125-W128 HydrophobicContact CD2-CE3 4.21Å; F125-W128 AromaticContact CE2-CE3 3.8Å; F125-W128 HydrophobicContact CE2-CE3 3.8Å; F125-W128 AromaticContact CE2-CZ3 3.99Å; F125-W128 HydrophobicContact CE2-CZ3 3.99Å; F125-W128 HydrophobicContact CZ-CE3 4.43Å; F125-W128 HydrophobicContact CZ-CZ3 4.36Å; F125-W128 WeakPolarHBondContact O-CB 3.46Å; F125-W128 PolarHBondContact O-N 3.02Å; F125-L129 WeakPolarHBondContact O-CB 3.23Å; F125-L129 PolarHBondContact O-N 3.35Å; F125-L209 HydrophobicContact CE1-CD1 4.23Å; F125-L209 HydrophobicContact CE1-CD2 4.24Å; F125-L209 HydrophobicContact CZ-CD1 4.47Å; F125-L209 HydrophobicContact CZ-CD2 3.95Å; F125-F239 HydrophobicContact CD1-CE2 4.07Å; F125-F239 AromaticContact CD1-CZ 3.7Å; F125-F239 HydrophobicContact CD1-CZ 3.7Å; F125-F239 HydrophobicContact CE1-CE2 4.02Å; F125-F239 HydrophobicContact CE1-CZ 4.12Å
126	R	97.8	Very high	96.6	Very high	51 Å²	51	36.4 Å²	36.4	19%	0.192	21%	0.213	C	C	.	.	H	α-helix	trans	-55.8	-45.6	171.4	-178.8	-173.8	58.5	82.3	9.1	111.9	L121 F122 G123 L129 G130 L137 E138 F239	L121-R126 WeakPolarHBondContact O-CB 3.29Å; L121-R126 PolarHBondContact O-N 3.23Å; F122-R126 PolarHBondContact O-NE 2.73Å; G123-R126 PolarHBondContact O-N 3.28Å; R126-L129 PolarHBondContact O-N 3.47Å; R126-G130 PolarHBondContact O-N 2.85Å; R126-L137 HydrophobicContact CG-CB 3.75Å; R126-L137 HydrophobicContact CG-CD1 4.16Å; R126-L137 PolarHBondContact NH1-O 3.09Å; R126-E138 WeakPolarHBondContact CD-O 3.08Å; R126-F239 HydrophobicContact CB-CD1 3.97Å; R126-F239 HydrophobicContact CB-CE1 3.92Å; R126-F239 HydrophobicContact CG-CD1 3.97Å; R126-F239 HydrophobicContact CG-CE1 4.44Å
127	S	96.2	Very high	96.6	Very high	62 Å²	62	36.2 Å²	36.2	43%	0.434	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-45.4	177.1	-63.9	0	0	0	0	111.8	G123 R124 F125 L129 G130 D131	G123-S127 PolarHBondContact O-N 2.98Å; G123-S127 VanDerWaalsContact O-N 3.16Å; G123-S127 PolarHBondContact O-OG 3.03Å; R124-S127 PolarHBondContact O-N 3.04Å; F125-S127 VanDerWaalsContact C-N 3.33Å; F125-S127 PolarHBondContact O-N 2.98Å; S127-L129 VanDerWaalsContact C-N 3.29Å; S127-L129 PolarHBondContact O-N 3.29Å; S127-G130 PolarHBondContact O-N 3.41Å; S127-D131 PolarHBondContact O-N 3.45Å; S127-D131 VanDerWaalsContact O-N 3.08Å
128	W	96.8	Very high	96.6	Very high	16 Å²	16	40.3 Å²	40.3	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-43.8	174.7	177.6	96.7	0	0	0	111.7	V32 K38 V41 L56 R124 F125 D131 V132	V32-W128 HydrophobicContact CG1-CD2 3.73Å; V32-W128 HydrophobicContact CG1-CE3 4.29Å; V32-W128 HydrophobicContact CG1-CG 3.8Å; V32-W128 HydrophobicContact CG1-CZ2 4.36Å; V32-W128 PolarHBondContact O-NE1 3.22Å; K38-W128 VanDerWaalsContact CD-CD1 3.46Å; K38-W128 HydrophobicContact CD-CG 4.17Å; K38-W128 HydrophobicContact CG-CG 4.41Å; V41-W128 HydrophobicContact CG1-CH2 4.15Å; V41-W128 HydrophobicContact CG1-CZ2 4.36Å; L56-W128 HydrophobicContact CD1-CH2 4.22Å; L56-W128 HydrophobicContact CD1-CZ2 4.19Å; R124-W128 PolarHBondContact O-N 2.99Å; R124-W128 VanDerWaalsContact O-N 3.12Å; F125-W128 HydrophobicContact CD2-CE3 4.21Å; F125-W128 AromaticContact CE2-CE3 3.8Å; F125-W128 HydrophobicContact CE2-CE3 3.8Å; F125-W128 AromaticContact CE2-CZ3 3.99Å; F125-W128 HydrophobicContact CE2-CZ3 3.99Å; F125-W128 HydrophobicContact CZ-CE3 4.43Å; F125-W128 HydrophobicContact CZ-CZ3 4.36Å; F125-W128 WeakPolarHBondContact O-CB 3.46Å; F125-W128 PolarHBondContact O-N 3.02Å; W128-D131 WeakPolarHBondContact O-CB 3.39Å; W128-D131 PolarHBondContact O-N 2.87Å; W128-V132 HydrophobicContact CD2-CG2 4.08Å; W128-V132 HydrophobicContact CE3-CG2 4.17Å; W128-V132 HydrophobicContact CH2-CG2 3.89Å; W128-V132 HydrophobicContact CZ2-CG2 3.81Å; W128-V132 HydrophobicContact CZ3-CG2 4.07Å; W128-V132 WeakPolarHBondContact O-CG2 3.39Å; W128-V132 PolarHBondContact O-N 3.31Å; W128-V132 VanDerWaalsContact O-N 3.09Å
129	L	97.6	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-41.3	-179.7	-178.5	57.3	0	0	0	112.3	F125 R126 S127 D131 V132 L133 L137 A166 L211 F239	F125-L129 WeakPolarHBondContact O-CB 3.23Å; F125-L129 PolarHBondContact O-N 3.35Å; R126-L129 PolarHBondContact O-N 3.47Å; S127-L129 VanDerWaalsContact C-N 3.29Å; S127-L129 PolarHBondContact O-N 3.29Å; L129-D131 VanDerWaalsContact C-N 3.27Å; L129-D131 PolarHBondContact O-N 3.37Å; L129-V132 PolarHBondContact O-N 3.3Å; L129-L133 HydrophobicContact CD1-CD1 3.83Å; L129-L133 HydrophobicContact CD1-CD2 4.37Å; L129-L133 HydrophobicContact CD1-CG 3.78Å; L129-L133 HydrophobicContact CD2-CD1 4.4Å; L129-L133 HydrophobicContact CG-CD1 3.85Å; L129-L133 HydrophobicContact CG-CG 4.2Å; L129-L133 WeakPolarHBondContact O-CB 3.46Å; L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 2.94Å; L129-L137 HydrophobicContact CB-CD1 3.94Å; L129-L137 HydrophobicContact CD2-CD1 3.83Å; L129-L137 HydrophobicContact CG-CD1 3.74Å; L129-A166 HydrophobicContact CD2-CB 3.81Å; L129-L211 HydrophobicContact CD1-CD2 3.46Å; L129-L211 VanDerWaalsContact CD1-CD2 3.46Å; L129-L211 HydrophobicContact CD1-CG 4.48Å; L129-L211 HydrophobicContact CD2-CD1 3.71Å; L129-L211 HydrophobicContact CD2-CD2 4.17Å; L129-L211 HydrophobicContact CG-CD2 4.42Å; L129-F239 HydrophobicContact CD2-CB 4.36Å; L129-F239 HydrophobicContact CD2-CD2 3.42Å; L129-F239 VanDerWaalsContact CD2-CD2 3.42Å; L129-F239 HydrophobicContact CD2-CE2 3.92Å; L129-F239 HydrophobicContact CD2-CG 3.96Å
130	G	97.3	Very high	96.6	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-40.7	174.6	0	0	0	0	0	112	R126 S127 G134 V135	R126-G130 PolarHBondContact O-N 2.85Å; S127-G130 PolarHBondContact O-N 3.41Å; G130-G134 WeakPolarHBondContact O-CA 3.11Å; G130-G134 PolarHBondContact O-N 2.88Å; G130-V135 CarbonylContact C-O 3.52Å; G130-V135 WeakPolarHBondContact CA-O 3.18Å; G130-V135 PolarHBondContact O-N 3.46Å; G130-V135 VanDerWaalsContact O-N 3.09Å
131	D	96.9	Very high	96.6	Very high	73 Å²	73	42.9 Å²	42.9	39%	0.39	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-43	174.9	-73.8	-16.7	0	0	0	112.5	K38 K42 S127 W128 L129 G134	K38-D131 HydrophobicContact CD-CB 4.04Å; K38-D131 WeakPolarHBondContact CE-OD2 3.41Å; K38-D131 IonicContact NZ-OD2 3.35Å; K38-D131 PolarHBondContact NZ-OD2 2.84Å; K42-D131 VanDerWaalsContact CD-O 3.28Å; K42-D131 WeakPolarHBondContact CD-O 3.39Å; K42-D131 VanDerWaalsContact CE-O 3.26Å; K42-D131 WeakPolarHBondContact CE-O 3.49Å; K42-D131 PolarHBondContact NZ-O 3.46Å; S127-D131 PolarHBondContact O-N 3.45Å; S127-D131 VanDerWaalsContact O-N 3.08Å; W128-D131 WeakPolarHBondContact O-CB 3.39Å; W128-D131 PolarHBondContact O-N 2.87Å; L129-D131 VanDerWaalsContact C-N 3.27Å; L129-D131 PolarHBondContact O-N 3.37Å; D131-G134 PolarHBondContact O-N 3.19Å
132	V	96.8	Very high	96.7	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-47	178.9	165.9	0	0	0	0	111.4	K38 V41 W45 W128 L129 G134	K38-V132 HydrophobicContact CG-CG2 3.98Å; V41-V132 HydrophobicContact CG1-CG1 3.85Å; V41-V132 HydrophobicContact CG1-CG2 4.23Å; W45-V132 HydrophobicContact CB-CG1 4.36Å; W45-V132 HydrophobicContact CD2-CG1 4.27Å; W45-V132 HydrophobicContact CE3-CG1 3.96Å; W45-V132 HydrophobicContact CG-CG1 4.44Å; W128-V132 HydrophobicContact CD2-CG2 4.08Å; W128-V132 HydrophobicContact CE3-CG2 4.17Å; W128-V132 HydrophobicContact CH2-CG2 3.89Å; W128-V132 HydrophobicContact CZ2-CG2 3.81Å; W128-V132 HydrophobicContact CZ3-CG2 4.07Å; W128-V132 WeakPolarHBondContact O-CG2 3.39Å; W128-V132 PolarHBondContact O-N 3.31Å; W128-V132 VanDerWaalsContact O-N 3.09Å; L129-V132 PolarHBondContact O-N 3.3Å; V132-G134 VanDerWaalsContact C-N 3.27Å; V132-G134 PolarHBondContact O-N 2.98Å
133	L	95.5	Very high	96.7	Very high	29 Å²	29	44.2 Å²	44.2	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-76.4	-16.5	179.8	-64.3	-178.8	0	0	0	112.7	W45 L129 V135 A166	W45-L133 HydrophobicContact CD2-CD2 4.03Å; W45-L133 VanDerWaalsContact CE2-CD2 3.43Å; W45-L133 HydrophobicContact CG-CD2 4.41Å; W45-L133 HydrophobicContact CH2-CD2 4.41Å; W45-L133 HydrophobicContact CZ2-CD2 3.68Å; L129-L133 HydrophobicContact CD1-CD1 3.83Å; L129-L133 HydrophobicContact CD1-CD2 4.37Å; L129-L133 HydrophobicContact CD1-CG 3.78Å; L129-L133 HydrophobicContact CD2-CD1 4.4Å; L129-L133 HydrophobicContact CG-CD1 3.85Å; L129-L133 HydrophobicContact CG-CG 4.2Å; L129-L133 WeakPolarHBondContact O-CB 3.46Å; L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 2.94Å; L133-V135 VanDerWaalsContact C-N 3.27Å; L133-V135 HydrophobicContact CB-CG1 3.73Å; L133-V135 HydrophobicContact CD1-CG1 4.26Å; L133-V135 PolarHBondContact O-N 3.22Å; L133-A166 HydrophobicContact CD1-CB 4.35Å
134	G	95.6	Very high	96.8	Very high	61 Å²	61	43.5 Å²	43.5	63%	0.629	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	27.8	-174.3	0	0	0	0	0	113.1	G130 D131 V132	G130-G134 WeakPolarHBondContact O-CA 3.11Å; G130-G134 PolarHBondContact O-N 2.88Å; D131-G134 PolarHBondContact O-N 3.19Å; V132-G134 VanDerWaalsContact C-N 3.27Å; V132-G134 PolarHBondContact O-N 2.98Å
135	V	95.4	Very high	97.1	Very high	29 Å²	29	39.2 Å²	39.2	18%	0.176	23%	0.228	C	C	.	.	S	Bend	trans	-131	145.2	-179.1	71.4	0	0	0	0	110.3	G130 L133 L137 P242	G130-V135 CarbonylContact C-O 3.52Å; G130-V135 WeakPolarHBondContact CA-O 3.18Å; G130-V135 PolarHBondContact O-N 3.46Å; G130-V135 VanDerWaalsContact O-N 3.09Å; L133-V135 VanDerWaalsContact C-N 3.27Å; L133-V135 HydrophobicContact CB-CG1 3.73Å; L133-V135 HydrophobicContact CD1-CG1 4.26Å; L133-V135 PolarHBondContact O-N 3.22Å; V135-L137 HydrophobicContact CG1-CD2 3.9Å; V135-L137 HydrophobicContact CG1-CG 4.28Å; V135-L137 PolarHBondContact O-N 3.39Å; V135-P242 HydrophobicContact CG2-CG 3.96Å
136	E	96.3	Very high	97.1	Very high	169 Å²	169	39.2 Å²	39.2	79%	0.79	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-76.8	116	171.4	-171.9	172.3	-177	0	0	109.8	P242	E136-P242 WeakPolarHBondContact O-CD 3.36Å
137	L	98	Very high	97.2	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-91.4	139.1	175.3	-63.6	174.5	0	0	0	110.4	R126 L129 V135 R165 F239 H240	R126-L137 HydrophobicContact CG-CB 3.75Å; R126-L137 HydrophobicContact CG-CD1 4.16Å; R126-L137 PolarHBondContact NH1-O 3.09Å; L129-L137 HydrophobicContact CB-CD1 3.94Å; L129-L137 HydrophobicContact CD2-CD1 3.83Å; L129-L137 HydrophobicContact CG-CD1 3.74Å; V135-L137 HydrophobicContact CG1-CD2 3.9Å; V135-L137 HydrophobicContact CG1-CG 4.28Å; V135-L137 PolarHBondContact O-N 3.39Å; L137-R165 HydrophobicContact CD2-CB 4.09Å; L137-F239 HydrophobicContact CD1-CB 4.01Å; L137-F239 HydrophobicContact CD1-CG 4.45Å; L137-F239 HydrophobicContact CD2-CB 4.39Å; L137-H240 CarbonylContact C-O 3.58Å; L137-H240 VanDerWaalsContact CA-O 3.28Å; L137-H240 WeakPolarHBondContact CA-O 3.44Å; L137-H240 WeakPolarHBondContact CD2-O 3.37Å
138	E	97.7	Very high	97.3	Very high	88 Å²	88	35.6 Å²	35.6	41%	0.411	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-69.6	149.5	178.8	-65.4	-177.2	-172.7	0	0	112.4	R126 T140 H240	R126-E138 WeakPolarHBondContact CD-O 3.08Å; E138-T140 PolarHBondContact O-N 3.08Å; E138-T140 VanDerWaalsContact O-N 3.08Å; E138-T140 PolarHBondContact OE2-OG1 3.34Å; E138-T140 VanDerWaalsContact OE2-OG1 3.11Å; E138-H240 HydrophobicContact CB-CB 4.04Å; E138-H240 HydrophobicContact CG-CB 4.45Å; E138-H240 PolarHBondContact N-O 2.65Å
139	P	96.6	Very high	97.4	Very high	97 Å²	97	38.3 Å²	38.3	63%	0.63	22%	0.219	S	C	*	.			trans	-73.5	6.2	175.4	34	-37.3	0	0	0	113.6	V141	P139-V141 PolarHBondContact O-N 3.09Å
140	T	96.9	Very high	97.4	Very high	47 Å²	47	40.7 Å²	40.7	29%	0.288	23%	0.228	S	C	.	.			trans	-56.5	122.1	179.3	-59.9	0	0	0	0	110	F122 E138	F122-T140 WeakPolarHBondContact CD1-O 3.24Å; F122-T140 WeakPolarHBondContact CE1-O 3.46Å; E138-T140 PolarHBondContact O-N 3.08Å; E138-T140 VanDerWaalsContact O-N 3.08Å; E138-T140 PolarHBondContact OE2-OG1 3.34Å; E138-T140 VanDerWaalsContact OE2-OG1 3.11Å
141	V	97.4	Very high	97.5	Very high	28 Å²	28	40.4 Å²	40.4	17%	0.17	23%	0.225	C	C	.	.			trans	-88.5	118	174	175.2	0	0	0	0	108.5	K107 R118 F122 P139 I143	K107-V141 HydrophobicContact CB-CG1 4.09Å; K107-V141 HydrophobicContact CD-CB 4.49Å; K107-V141 HydrophobicContact CG-CB 4.07Å; K107-V141 HydrophobicContact CG-CG1 4.12Å; R118-V141 HydrophobicContact CG-CG1 3.83Å; R118-V141 HydrophobicContact CG-CG2 4.27Å; F122-V141 HydrophobicContact CB-CG2 4.02Å; F122-V141 HydrophobicContact CD1-CG2 4.38Å; F122-V141 HydrophobicContact CD2-CB 4.38Å; F122-V141 HydrophobicContact CD2-CG1 4.01Å; F122-V141 HydrophobicContact CD2-CG2 4.09Å; F122-V141 HydrophobicContact CE2-CG1 3.95Å; F122-V141 HydrophobicContact CG-CB 4.38Å; F122-V141 HydrophobicContact CG-CG1 4.5Å; F122-V141 HydrophobicContact CG-CG2 3.89Å; F122-V141 HydrophobicContact CZ-CG1 4.37Å; P139-V141 PolarHBondContact O-N 3.09Å; V141-I143 HydrophobicContact CG1-CG2 3.7Å
142	D	97.6	Very high	97.6	Very high	39 Å²	39	37.4 Å²	37.4	21%	0.209	21%	0.209	C	C	.	.			trans	-137.9	96.5	177.5	-176.6	-0.7	0	0	0	108.6	F122 G237 W238 H240	F122-D142 WeakPolarHBondContact CZ-O 3.34Å; D142-G237 VanDerWaalsContact O-CA 3.3Å; D142-G237 WeakPolarHBondContact O-CA 3.39Å; D142-W238 PolarHBondContact O-N 3.17Å; D142-H240 WeakPolarHBondContact CB-NE2 3.45Å; D142-H240 IonicContact OD2-CD2 2.7Å; D142-H240 IonicContact OD2-CE1 2.84Å; D142-H240 IonicContact OD2-NE2 2.73Å; D142-H240 PolarHBondContact OD2-NE2 2.91Å
143	I	98.3	Very high	97.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	132	-173.3	-178.3	173.1	0	0	0	110.7	L106 L121 F122 V141 F168 L235 S236	L106-I143 HydrophobicContact CB-CG2 4.17Å; L106-I143 HydrophobicContact CD1-CG1 4.4Å; L106-I143 PolarHBondContact N-O 2.95Å; L106-I143 VanDerWaalsContact N-O 3.08Å; L121-I143 HydrophobicContact CD1-CD1 3.79Å; F122-I143 HydrophobicContact CE2-CB 3.86Å; F122-I143 HydrophobicContact CE2-CD1 4.36Å; F122-I143 HydrophobicContact CE2-CG2 3.72Å; F122-I143 HydrophobicContact CZ-CB 4.02Å; F122-I143 HydrophobicContact CZ-CG2 4.21Å; V141-I143 HydrophobicContact CG1-CG2 3.7Å; I143-F168 HydrophobicContact CB-CZ 4.22Å; I143-F168 HydrophobicContact CD1-CE2 4.21Å; I143-F168 HydrophobicContact CD1-CZ 3.97Å; I143-F168 HydrophobicContact CG1-CE2 4.46Å; I143-F168 HydrophobicContact CG1-CZ 4.01Å; I143-L235 HydrophobicContact CD1-CB 4.39Å; I143-L235 HydrophobicContact CD1-CD1 4.32Å; I143-L235 HydrophobicContact CD1-CD2 4.21Å; I143-L235 HydrophobicContact CG1-CD2 4.28Å; I143-S236 WeakPolarHBondContact CA-O 3.44Å
144	S	97.9	Very high	97.8	Very high	11 Å²	11	37.2 Å²	37.2	8%	0.077	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	164.8	175.7	67.6	0	0	0	0	110.9	Q102 L235 S236	Q102-S144 PolarHBondContact NE2-OG 2.64Å; S144-L235 WeakPolarHBondContact O-CA 3.38Å; S144-S236 PolarHBondContact N-O 3.48Å; S144-S236 PolarHBondContact O-N 2.98Å
145	C	98.7	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.7	169.2	-168.1	0	0	0	0	109	L85 L88 F90 Q102 S103 L106 L233 S234 L235	L85-C145 HydrophobicContact CD2-CB 4.12Å; L88-C145 HydrophobicContact CD1-CB 4.32Å; F90-C145 HydrophobicContact CE1-CB 4.15Å; F90-C145 HydrophobicContact CZ-CB 4.19Å; Q102-C145 WeakPolarHBondContact CA-O 3.39Å; S103-C145 PolarHBondContact N-O 2.92Å; S103-C145 WeakPolarHBondContact OG-CB 3.43Å; S103-C145 PolarHBondContact OG-N 2.96Å; S103-C145 VanDerWaalsContact OG-N 3.08Å; L106-C145 HydrophobicContact CD1-CB 4.25Å; C145-L233 VanDerWaalsContact SG-CD1 3.57Å; C145-S234 WeakPolarHBondContact CA-O 3.27Å; C145-L235 HydrophobicContact CB-CD2 4.09Å
146	A	98.6	Very high	98.1	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.6	176.7	0	0	0	0	0	110.8	F100 K101 Y148 S234	F100-A146 HydrophobicContact CD2-CB 4.04Å; F100-A146 HydrophobicContact CE2-CB 4.03Å; K101-A146 WeakPolarHBondContact O-CA 3.3Å; A146-Y148 HydrophobicContact CB-CD2 4.37Å; A146-Y148 HydrophobicContact CB-CE2 3.81Å; A146-S234 PolarHBondContact N-O 3.38Å; A146-S234 PolarHBondContact O-N 3.08Å
147	K	98.6	Very high	98.2	Very high	29 Å²	29	26.5 Å²	26.5	13%	0.126	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.7	171.4	-77.5	178	176	169.7	0	108.3	L86 F90 K101 L233	L86-K147 PolarHBondContact O-NZ 2.88Å; F90-K147 HydrophobicContact CD1-CB 4.24Å; F90-K147 HydrophobicContact CD1-CD 3.8Å; F90-K147 HydrophobicContact CD1-CG 3.96Å; F90-K147 HydrophobicContact CD2-CD 3.85Å; F90-K147 VanDerWaalsContact CD2-NZ 3.32Å; F90-K147 HydrophobicContact CE1-CB 4.22Å; F90-K147 HydrophobicContact CE1-CD 3.69Å; F90-K147 HydrophobicContact CE1-CG 3.57Å; F90-K147 HydrophobicContact CE2-CD 3.75Å; F90-K147 HydrophobicContact CE2-CG 4.45Å; F90-K147 HydrophobicContact CG-CD 3.89Å; F90-K147 HydrophobicContact CZ-CD 3.67Å; F90-K147 HydrophobicContact CZ-CG 3.86Å; K101-K147 HydrophobicContact CB-CB 4.04Å; K101-K147 PolarHBondContact N-O 3.33Å; K101-K147 PolarHBondContact O-N 3.03Å; K147-L233 HydrophobicContact CD-CD1 4.3Å; K147-L233 HydrophobicContact CG-CD1 3.48Å; K147-L233 VanDerWaalsContact CG-CD1 3.48Å
148	Y	98.8	Very high	98.2	Very high	8 Å²	8	27.3 Å²	27.3	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.5	168.5	-63.1	-112	0	0	0	108.1	F100 A146 D152 L154 V222 R232	F100-Y148 HydrophobicContact CB-CD1 3.72Å; F100-Y148 HydrophobicContact CB-CD2 4.29Å; F100-Y148 HydrophobicContact CB-CE1 3.58Å; F100-Y148 HydrophobicContact CB-CE2 4.16Å; F100-Y148 HydrophobicContact CB-CG 4.05Å; F100-Y148 HydrophobicContact CD1-CE1 4.15Å; F100-Y148 HydrophobicContact CD2-CE2 4.08Å; F100-Y148 AromaticContact CG-CE1 3.91Å; F100-Y148 HydrophobicContact CG-CE1 3.91Å; F100-Y148 HydrophobicContact CG-CE2 4.14Å; F100-Y148 AromaticContact CG-CZ 3.68Å; A146-Y148 HydrophobicContact CB-CD2 4.37Å; A146-Y148 HydrophobicContact CB-CE2 3.81Å; Y148-D152 WeakPolarHBondContact CA-OD2 3.41Å; Y148-D152 HydrophobicContact CD1-CB 3.81Å; Y148-D152 HydrophobicContact CG-CB 4.23Å; Y148-L154 HydrophobicContact CE1-CB 4.04Å; Y148-L154 WeakPolarHBondContact OH-CB 3.25Å; Y148-V222 HydrophobicContact CD1-CG1 4.17Å; Y148-V222 HydrophobicContact CE1-CB 4.22Å; Y148-V222 HydrophobicContact CE1-CG1 4.08Å; Y148-R232 PolarHBondContact N-O 3.39Å; Y148-R232 PolarHBondContact O-N 3.08Å
149	E	98.5	Very high	98.1	Very high	72 Å²	72	23.9 Å²	23.9	34%	0.336	13%	0.129	S	C	.	.			trans	-114.7	-177.7	175.2	-65.2	174.8	161.2	0	0	109.3	K101 T151 D152 V225	K101-E149 IonicContact NZ-OE2 3.74Å; K101-E149 PolarHBondContact NZ-OE2 3.22Å; E149-T151 PolarHBondContact O-N 3.41Å; E149-D152 PolarHBondContact N-OD2 3.28Å; E149-D152 VanDerWaalsContact O-CB 3.23Å; E149-D152 WeakPolarHBondContact O-CB 3.27Å; E149-D152 PolarHBondContact O-N 2.85Å; E149-V225 WeakPolarHBondContact O-CB 3.44Å
150	Y	98.6	Very high	97.9	Very high	50 Å²	50	23.2 Å²	23.2	20%	0.196	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	130.2	-179.1	-174.6	-127.7	0	0	0	112.5	D152 V225 L226 Q228 H506 K507	Y150-D152 VanDerWaalsContact C-N 3.28Å; Y150-D152 PolarHBondContact O-N 3.12Å; Y150-V225 WeakPolarHBondContact CA-O 3.45Å; Y150-L226 WeakPolarHBondContact CD2-O 3.39Å; Y150-Q228 HydrophobicContact CD1-CG 4.07Å; Y150-Q228 HydrophobicContact CD2-CG 3.92Å; Y150-Q228 HydrophobicContact CE1-CG 4.19Å; Y150-Q228 HydrophobicContact CE2-CG 4.04Å; Y150-Q228 HydrophobicContact CG-CG 3.95Å; Y150-H506 HydrophobicContact CE2-CB 4.34Å; Y150-H506 AromaticContact CE2-ND1 3.83Å; Y150-H506 AromaticContact CZ-ND1 3.84Å; Y150-H506 PolarHBondContact OH-ND1 3.25Å; Y150-K507 HydrophobicContact CE1-CG 3.76Å
151	T	98.4	Very high	97.6	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.025	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-6	-174.3	76.3	0	0	0	0	117.3	K99 E149 E224 V225 N505 K507	K99-T151 PolarHBondContact NZ-OG1 3.16Å; E149-T151 PolarHBondContact O-N 3.41Å; T151-E224 WeakPolarHBondContact CA-OE1 3.13Å; T151-V225 PolarHBondContact N-O 2.9Å; T151-N505 HydrophobicContact CG2-CB 4.16Å; T151-N505 WeakPolarHBondContact CG2-OD1 3.35Å; T151-K507 HydrophobicContact CG2-CD 3.99Å; T151-K507 HydrophobicContact CG2-CG 3.73Å
152	D	98.8	Very high	97.3	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	16%	0.159	C	C	.	.			trans	-74.6	142.2	176.9	-69.3	-17.4	0	0	0	110.9	K99 F100 Y148 E149 Y150 E224 V225	K99-D152 CarbonylContact O-C 3.58Å; K99-D152 WeakPolarHBondContact O-CA 3.41Å; K99-D152 WeakPolarHBondContact O-CB 3.48Å; F100-D152 HydrophobicContact CB-CB 4.29Å; Y148-D152 WeakPolarHBondContact CA-OD2 3.41Å; Y148-D152 HydrophobicContact CD1-CB 3.81Å; Y148-D152 HydrophobicContact CG-CB 4.23Å; E149-D152 PolarHBondContact N-OD2 3.28Å; E149-D152 VanDerWaalsContact O-CB 3.23Å; E149-D152 WeakPolarHBondContact O-CB 3.27Å; E149-D152 PolarHBondContact O-N 2.85Å; Y150-D152 VanDerWaalsContact C-N 3.28Å; Y150-D152 PolarHBondContact O-N 3.12Å; D152-E224 WeakPolarHBondContact O-CA 3.47Å; D152-V225 PolarHBondContact O-N 2.91Å
153	V	98.8	Very high	97.1	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.03	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	154	-171.6	68.1	0	0	0	0	110.6	Y98 K99 L155 V222 E224	Y98-V153 WeakPolarHBondContact CA-O 3.25Å; K99-V153 PolarHBondContact N-O 3.33Å; K99-V153 PolarHBondContact O-N 3.44Å; V153-L155 HydrophobicContact CG2-CD2 3.75Å; V153-L155 HydrophobicContact CG2-CG 4.29Å; V153-V222 WeakPolarHBondContact CG2-O 3.23Å; V153-E224 HydrophobicContact CB-CB 4.43Å; V153-E224 HydrophobicContact CG2-CB 4.44Å
154	L	98.9	Very high	97	Very high	23 Å²	23	33.4 Å²	33.4	12%	0.12	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	108	165.3	164.5	62	0	0	0	107.4	L97 Y98 Y148 H157 Q221 V222	L97-L154 HydrophobicContact CD2-CD1 4.11Å; L97-L154 HydrophobicContact CG-CD1 3.96Å; Y98-L154 HydrophobicContact CD1-CD1 3.9Å; Y98-L154 HydrophobicContact CG-CD1 4.3Å; Y148-L154 HydrophobicContact CE1-CB 4.04Å; Y148-L154 WeakPolarHBondContact OH-CB 3.25Å; L154-H157 VanDerWaalsContact CD2-CE1 3.45Å; L154-H157 WeakPolarHBondContact CD2-CE1 3.11Å; L154-H157 VanDerWaalsContact CG-CE1 3.45Å; L154-H157 WeakPolarHBondContact CG-CE1 3.33Å; L154-Q221 CarbonylContact O-C 3.58Å; L154-Q221 WeakPolarHBondContact O-CA 3.34Å; L154-Q221 WeakPolarHBondContact O-CB 3.47Å; L154-V222 HydrophobicContact CB-CB 4.04Å; L154-V222 HydrophobicContact CB-CG2 4.23Å; L154-V222 HydrophobicContact CD2-CG2 4.24Å; L154-V222 PolarHBondContact N-O 3.39Å; L154-V222 VanDerWaalsContact N-O 3.11Å; L154-V222 PolarHBondContact O-N 2.86Å
155	L	98.9	Very high	97	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-179.7	-170.3	-62.1	172.3	0	0	0	112.7	L97 V153 H157 Y433 L435 H503	L97-L155 HydrophobicContact CD1-CB 4.07Å; L97-L155 WeakPolarHBondContact O-CB 3.44Å; L97-L155 WeakPolarHBondContact O-CG 3.29Å; L97-L155 PolarHBondContact O-N 3.2Å; V153-L155 HydrophobicContact CG2-CD2 3.75Å; V153-L155 HydrophobicContact CG2-CG 4.29Å; L155-H157 PolarHBondContact O-N 2.91Å; L155-H157 PolarHBondContact O-ND1 3.13Å; L155-Y433 HydrophobicContact CD1-CD1 3.98Å; L155-Y433 HydrophobicContact CD1-CD2 3.73Å; L155-Y433 HydrophobicContact CD1-CE1 4.29Å; L155-Y433 HydrophobicContact CD1-CE2 4.06Å; L155-Y433 HydrophobicContact CD1-CG 3.68Å; L155-Y433 HydrophobicContact CD2-CD1 3.96Å; L155-Y433 HydrophobicContact CD2-CE1 3.77Å; L155-L435 HydrophobicContact CB-CD1 4.29Å; L155-L435 HydrophobicContact CD1-CD2 3.75Å; L155-H503 HydrophobicContact CD1-CB 4.23Å
156	C	98.6	Very high	96.9	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	116.7	-172.8	-177.3	0	0	0	0	113.2	Y187 H220 P326	C156-Y187 HydrophobicContact CB-CE2 3.84Å; C156-H220 WeakPolarHBondContact CA-O 3.44Å; C156-P326 HydrophobicContact CB-CB 4.01Å
157	H	98.1	Very high	96.9	Very high	27 Å²	27	33.9 Å²	33.9	13%	0.125	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	170.1	176.5	63.7	-63.3	0	0	0	110.3	L97 L154 L155 D159 F219 H220	L97-H157 HydrophobicContact CD1-CB 4.16Å; L97-H157 HydrophobicContact CD2-CB 4.2Å; L154-H157 VanDerWaalsContact CD2-CE1 3.45Å; L154-H157 WeakPolarHBondContact CD2-CE1 3.11Å; L154-H157 VanDerWaalsContact CG-CE1 3.45Å; L154-H157 WeakPolarHBondContact CG-CE1 3.33Å; L155-H157 PolarHBondContact O-N 2.91Å; L155-H157 PolarHBondContact O-ND1 3.13Å; H157-D159 IonicContact CD2-OD1 3.38Å; H157-D159 PolarHBondContact CD2-OD1 2.84Å; H157-D159 IonicContact NE2-OD1 3.61Å; H157-D159 PolarHBondContact NE2-OD1 2.93Å; H157-F219 CarbonylContact O-C 3.4Å; H157-F219 VanDerWaalsContact O-CA 3.29Å; H157-F219 WeakPolarHBondContact O-CA 3.3Å; H157-H220 AromaticContact CD2-CE1 3.98Å; H157-H220 AromaticContact CE1-CD2 3.79Å; H157-H220 AromaticContact CE1-CE1 3.89Å; H157-H220 AromaticContact CE1-NE2 3.43Å; H157-H220 PolarHBondContact CE1-NE2 2.81Å; H157-H220 PolarHBondContact N-O 2.78Å; H157-H220 PolarHBondContact ND1-O 2.85Å; H157-H220 AromaticContact NE2-CE1 3.55Å; H157-H220 AromaticContact NE2-NE2 3.26Å; H157-H220 PolarHBondContact NE2-NE2 3.22Å; H157-H220 PolarHBondContact O-N 3.11Å; H157-H220 PolarHBondContact O-ND1 3.34Å
158	D	96.7	Very high	96.9	Very high	23 Å²	23	32.5 Å²	32.5	12%	0.123	16%	0.157	C	C	.	.			trans	-117.4	5.7	-175.7	74.1	-21.5	0	0	0	114.5	E160 S218 F219 R246	D158-E160 PolarHBondContact O-N 3.42Å; D158-E160 WeakPolarHBondContact OD1-CB 3.41Å; D158-E160 PolarHBondContact OD1-N 3.5Å; D158-S218 PolarHBondContact O-OG 2.89Å; D158-F219 HydrophobicContact CB-CD1 3.85Å; D158-F219 HydrophobicContact CB-CE1 3.8Å; D158-F219 HydrophobicContact CB-CG 4.25Å; D158-F219 HydrophobicContact CB-CZ 4.14Å; D158-R246 IonicContact OD2-CZ 3.95Å; D158-R246 IonicContact OD2-NH1 2.74Å; D158-R246 PolarHBondContact OD2-NH1 2.84Å; D158-R246 IonicContact OD2-NH2 3.42Å
159	D	95.9	Very high	96.9	Very high	17 Å²	17	33 Å²	33	9%	0.091	16%	0.16	C	C	.	.			trans	61.5	20.1	-174.9	-91.8	-14.8	0	0	0	115.5	H157 L161 R164 A167 V214 H220 W238	H157-D159 IonicContact CD2-OD1 3.38Å; H157-D159 PolarHBondContact CD2-OD1 2.84Å; H157-D159 IonicContact NE2-OD1 3.61Å; H157-D159 PolarHBondContact NE2-OD1 2.93Å; D159-L161 PolarHBondContact O-N 3.28Å; D159-R164 WeakPolarHBondContact O-CD 3.35Å; D159-R164 IonicContact OD1-NH1 3.47Å; D159-A167 WeakPolarHBondContact OD2-CB 3.49Å; D159-V214 HydrophobicContact CB-CG1 4.2Å; D159-V214 HydrophobicContact CB-CG2 4.12Å; D159-V214 WeakPolarHBondContact O-CG1 3.43Å; D159-H220 IonicContact OD2-CE1 3.83Å; D159-H220 IonicContact OD2-NE2 3.88Å; D159-W238 WeakPolarHBondContact OD1-CZ2 3.27Å; D159-W238 PolarHBondContact OD2-NE1 2.79Å
160	E	92.2	Very high	97	Very high	82 Å²	82	29.6 Å²	29.6	38%	0.383	14%	0.144	S	C	.	.			trans	-56.7	111.8	176.2	-177.3	167.1	-175.8	0	0	112.6	D158 R246	D158-E160 PolarHBondContact O-N 3.42Å; D158-E160 WeakPolarHBondContact OD1-CB 3.41Å; D158-E160 PolarHBondContact OD1-N 3.5Å; E160-R246 VanDerWaalsContact CB-CZ 3.46Å; E160-R246 VanDerWaalsContact CB-NH2 3.34Å; E160-R246 VanDerWaalsContact CD-NE 3.33Å; E160-R246 WeakPolarHBondContact OE1-CD 3.45Å; E160-R246 IonicContact OE1-CZ 3.08Å; E160-R246 IonicContact OE1-NE 2.81Å; E160-R246 PolarHBondContact OE1-NE 2.95Å; E160-R246 IonicContact OE1-NH1 3.12Å; E160-R246 IonicContact OE2-CZ 2.7Å; E160-R246 IonicContact OE2-NE 3.53Å; E160-R246 IonicContact OE2-NH1 2.88Å; E160-R246 PolarHBondContact OE2-NH1 3.41Å
161	L	91.5	Very high	97	Very high	101 Å²	101	27.3 Å²	27.3	53%	0.529	14%	0.135	S	C	.	.			trans	-153.7	144.7	162.3	-159.2	78.4	0	0	0	108	D159 G163 R164	D159-L161 PolarHBondContact O-N 3.28Å; L161-G163 PolarHBondContact O-N 3.22Å; L161-R164 HydrophobicContact CB-CG 4Å; L161-R164 PolarHBondContact O-N 3.39Å; L161-R164 VanDerWaalsContact O-N 3.16Å
162	E	90.4	Very high	97	Very high	172 Å²	172	27.1 Å²	27.1	80%	0.804	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	136	177.7	-170	174.9	-172.6	0	0	111.1	R164	E162-R164 VanDerWaalsContact C-N 3.29Å; E162-R164 PolarHBondContact O-N 3.36Å
163	G	93.6	Very high	97	Very high	12 Å²	12	26.6 Å²	26.6	12%	0.124	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-25	-178.6	0	0	0	0	0	114.8	L161 R165 H240 G241 S243	L161-G163 PolarHBondContact O-N 3.22Å; G163-R165 PolarHBondContact O-N 2.7Å; G163-H240 CarbonylContact O-C 3.59Å; G163-H240 WeakPolarHBondContact O-CA 3.46Å; G163-G241 PolarHBondContact O-N 2.77Å; G163-G241 VanDerWaalsContact O-O 3.11Å; G163-S243 PolarHBondContact N-OG 3.12Å
164	R	97	Very high	96.9	Very high	46 Å²	46	28.7 Å²	28.7	17%	0.174	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.1	178.1	-67.7	-177	177.1	173.9	-0.8	110.9	D159 L161 E162 V214 W238	D159-R164 WeakPolarHBondContact O-CD 3.35Å; D159-R164 IonicContact OD1-NH1 3.47Å; L161-R164 HydrophobicContact CB-CG 4Å; L161-R164 PolarHBondContact O-N 3.39Å; L161-R164 VanDerWaalsContact O-N 3.16Å; E162-R164 VanDerWaalsContact C-N 3.29Å; E162-R164 PolarHBondContact O-N 3.36Å; R164-V214 HydrophobicContact CB-CG1 4.41Å; R164-V214 HydrophobicContact CB-CG2 4.3Å; R164-W238 HydrophobicContact CB-CB 4.36Å; R164-W238 HydrophobicContact CB-CG 4.27Å; R164-W238 HydrophobicContact CG-CB 3.92Å; R164-W238 HydrophobicContact CG-CD2 4.29Å; R164-W238 HydrophobicContact CG-CG 3.77Å; R164-W238 VanDerWaalsContact CZ-CE2 3.47Å; R164-W238 VanDerWaalsContact CZ-CZ2 3.45Å; R164-W238 VanDerWaalsContact NE-CD2 3.34Å; R164-W238 VanDerWaalsContact NH1-CZ2 3.26Å; R164-W238 VanDerWaalsContact NH2-CH2 3.29Å
165	R	97	Very high	96.9	Very high	19 Å²	19	33.2 Å²	33.2	7%	0.072	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-32.8	178.8	-85.6	-55.2	-61.5	-93.6	3.7	116.5	L137 G163 E213 V214 F239 P242 L244	L137-R165 HydrophobicContact CD2-CB 4.09Å; G163-R165 PolarHBondContact O-N 2.7Å; R165-E213 IonicContact CZ-OE1 3.08Å; R165-E213 IonicContact NE-OE1 3.37Å; R165-E213 IonicContact NH2-OE1 3.09Å; R165-E213 PolarHBondContact NH2-OE1 3.39Å; R165-V214 PolarHBondContact O-N 2.9Å; R165-F239 PolarHBondContact N-O 3.25Å; R165-P242 WeakPolarHBondContact CD-O 3.38Å; R165-P242 WeakPolarHBondContact CG-O 3.46Å; R165-P242 PolarHBondContact NH1-O 2.97Å; R165-L244 VanDerWaalsContact CZ-CD2 3.4Å
166	A	97.8	Very high	96.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	129.3	171.8	0	0	0	0	0	110.2	L129 L133 L211 F212 W238 F239	L129-A166 HydrophobicContact CD2-CB 3.81Å; L133-A166 HydrophobicContact CD1-CB 4.35Å; A166-L211 HydrophobicContact CB-CD1 4.05Å; A166-F212 CarbonylContact C-O 3.6Å; A166-F212 VanDerWaalsContact CA-O 3.25Å; A166-F212 WeakPolarHBondContact CA-O 3.29Å; A166-W238 CarbonylContact O-C 3.57Å; A166-W238 VanDerWaalsContact O-CA 3.29Å; A166-W238 WeakPolarHBondContact O-CA 3.46Å; A166-F239 HydrophobicContact CB-CB 4.43Å; A166-F239 HydrophobicContact CB-CD2 4.36Å; A166-F239 PolarHBondContact N-O 3.23Å; A166-F239 PolarHBondContact O-N 3.47Å
167	A	98.4	Very high	96.9	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	142.7	173.4	0	0	0	0	0	109.3	D159 L211 F212 V214	D159-A167 WeakPolarHBondContact OD2-CB 3.49Å; A167-L211 WeakPolarHBondContact O-CA 3.45Å; A167-L211 WeakPolarHBondContact O-CD1 3Å; A167-F212 HydrophobicContact CB-CD2 4.06Å; A167-F212 HydrophobicContact CB-CE1 4.26Å; A167-F212 HydrophobicContact CB-CE2 3.52Å; A167-F212 HydrophobicContact CB-CZ 3.62Å; A167-F212 PolarHBondContact N-O 3.26Å; A167-F212 PolarHBondContact O-N 2.85Å; A167-V214 HydrophobicContact CB-CG2 4.15Å
168	F	98.8	Very high	96.8	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.7	172.6	74.2	-89.1	0	0	0	111.5	L121 F122 I143 L209 V210 L211 S236 G237 F239	L121-F168 HydrophobicContact CD1-CE2 3.77Å; L121-F168 HydrophobicContact CD1-CZ 4.03Å; F122-F168 HydrophobicContact CE2-CZ 4.45Å; F122-F168 AromaticContact CZ-CE1 3.94Å; F122-F168 HydrophobicContact CZ-CE1 3.94Å; F122-F168 HydrophobicContact CZ-CZ 4.12Å; I143-F168 HydrophobicContact CB-CZ 4.22Å; I143-F168 HydrophobicContact CD1-CE2 4.21Å; I143-F168 HydrophobicContact CD1-CZ 3.97Å; I143-F168 HydrophobicContact CG1-CE2 4.46Å; I143-F168 HydrophobicContact CG1-CZ 4.01Å; F168-L209 HydrophobicContact CD2-CD1 4.49Å; F168-V210 CarbonylContact C-O 3.51Å; F168-V210 VanDerWaalsContact CA-O 3.27Å; F168-V210 WeakPolarHBondContact CA-O 3.45Å; F168-L211 HydrophobicContact CB-CD1 4.03Å; F168-S236 VanDerWaalsContact O-CA 3.25Å; F168-S236 WeakPolarHBondContact O-CA 3.29Å; F168-S236 WeakPolarHBondContact O-CB 3.43Å; F168-G237 VanDerWaalsContact CD1-O 3.25Å; F168-G237 WeakPolarHBondContact CD1-O 3.46Å; F168-G237 PolarHBondContact N-O 2.75Å; F168-G237 PolarHBondContact O-N 3.37Å; F168-G237 VanDerWaalsContact O-N 3.13Å; F168-F239 HydrophobicContact CB-CE2 4.19Å; F168-F239 AromaticContact CD1-CD2 3.94Å; F168-F239 HydrophobicContact CD1-CD2 3.94Å; F168-F239 AromaticContact CD1-CE2 3.45Å; F168-F239 HydrophobicContact CD1-CE2 3.45Å; F168-F239 VanDerWaalsContact CD1-CE2 3.45Å; F168-F239 AromaticContact CD1-CZ 3.92Å; F168-F239 HydrophobicContact CD1-CZ 3.92Å; F168-F239 HydrophobicContact CE1-CE2 4.13Å; F168-F239 HydrophobicContact CE1-CZ 4.18Å; F168-F239 HydrophobicContact CG-CE2 4.01Å
169	I	98.9	Very high	96.9	Very high	18 Å²	18	45.5 Å²	45.5	9%	0.092	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	118.8	176	-54.7	153.3	0	0	0	108	Y171 L184 L209 V210 F212 L235	I169-Y171 HydrophobicContact CB-CE1 4.42Å; I169-Y171 HydrophobicContact CG2-CD1 3.87Å; I169-Y171 HydrophobicContact CG2-CE1 3.29Å; I169-Y171 HydrophobicContact CG2-CE2 4.21Å; I169-Y171 VanDerWaalsContact CG2-CZ 3.5Å; I169-L184 HydrophobicContact CD1-CD1 4.26Å; I169-L184 HydrophobicContact CD1-CD2 3.85Å; I169-L209 CarbonylContact O-C 3.47Å; I169-L209 VanDerWaalsContact O-CA 3.29Å; I169-L209 WeakPolarHBondContact O-CA 3.33Å; I169-V210 PolarHBondContact N-O 2.97Å; I169-V210 PolarHBondContact O-N 2.64Å; I169-F212 HydrophobicContact CD1-CE1 4.29Å; I169-L235 CarbonylContact C-O 3.58Å; I169-L235 WeakPolarHBondContact CA-O 3.44Å
170	L	98.9	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	113.2	172	173.9	62.3	0	0	0	109.5	F71 L72 I117 L209 S234 L235	F71-L170 HydrophobicContact CB-CD1 4.13Å; F71-L170 HydrophobicContact CD1-CD1 3.96Å; F71-L170 HydrophobicContact CD1-CD2 4.21Å; F71-L170 HydrophobicContact CG-CD1 4.42Å; L72-L170 HydrophobicContact CD1-CD2 4.26Å; L72-L170 HydrophobicContact CG-CD2 4.5Å; I117-L170 HydrophobicContact CD1-CD2 4.46Å; L170-L209 HydrophobicContact CB-CD1 4.49Å; L170-L209 HydrophobicContact CD1-CB 4.2Å; L170-S234 VanDerWaalsContact O-CA 3.3Å; L170-S234 WeakPolarHBondContact O-CA 3.33Å; L170-L235 HydrophobicContact CB-CB 4.31Å; L170-L235 HydrophobicContact CD2-CD1 4.48Å; L170-L235 PolarHBondContact N-O 3.32Å; L170-L235 PolarHBondContact O-N 2.98Å
171	Y	98.9	Very high	97.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.8	-178.5	-61.5	-62	0	0	0	112.1	I169 L184 P204 C205 N207 T208 V210	I169-Y171 HydrophobicContact CB-CE1 4.42Å; I169-Y171 HydrophobicContact CG2-CD1 3.87Å; I169-Y171 HydrophobicContact CG2-CE1 3.29Å; I169-Y171 HydrophobicContact CG2-CE2 4.21Å; I169-Y171 VanDerWaalsContact CG2-CZ 3.5Å; Y171-L184 WeakPolarHBondContact OH-CB 3.47Å; Y171-P204 HydrophobicContact CD1-CB 3.56Å; Y171-P204 HydrophobicContact CD2-CB 4.1Å; Y171-P204 HydrophobicContact CE1-CB 3.8Å; Y171-P204 HydrophobicContact CE2-CB 4.29Å; Y171-P204 HydrophobicContact CG-CB 3.73Å; Y171-C205 VanDerWaalsContact CB-O 3.23Å; Y171-C205 WeakPolarHBondContact CB-O 3.45Å; Y171-N207 WeakPolarHBondContact O-CA 3.25Å; Y171-N207 PolarHBondContact O-N 3.4Å; Y171-T208 WeakPolarHBondContact CD2-O 3.23Å; Y171-T208 PolarHBondContact N-O 2.73Å; Y171-V210 HydrophobicContact CE2-CB 4.46Å; Y171-V210 HydrophobicContact CE2-CG2 3.78Å
172	L	98.8	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.			trans	-125.9	50	174.5	-65.1	173	0	0	0	109.5	L81 Q82 L85 W206 L233	L81-L172 HydrophobicContact CD2-CD1 4.03Å; L81-L172 HydrophobicContact CG-CD1 4.07Å; Q82-L172 HydrophobicContact CB-CB 4.48Å; Q82-L172 HydrophobicContact CB-CD1 4.45Å; Q82-L172 HydrophobicContact CG-CB 4.26Å; Q82-L172 PolarHBondContact NE2-O 3.01Å; L85-L172 HydrophobicContact CD1-CD1 3.57Å; L172-W206 HydrophobicContact CB-CE3 4.39Å; L172-W206 HydrophobicContact CB-CZ3 3.91Å; L172-W206 HydrophobicContact CD2-CE3 4.39Å; L172-W206 HydrophobicContact CD2-CH2 4.04Å; L172-W206 HydrophobicContact CD2-CZ2 4.45Å; L172-W206 HydrophobicContact CD2-CZ3 3.98Å; L172-L233 CarbonylContact C-O 3.45Å; L172-L233 HydrophobicContact CB-CD2 4.24Å; L172-L233 PolarHBondContact N-O 2.97Å
173	V	98.6	Very high	98.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.174	C	C	.	.			trans	-89.1	152	-174.6	-61.1	0	0	0	0	112.4	W176 P204 W206 R232	V173-W176 HydrophobicContact CB-CE3 3.93Å; V173-W176 HydrophobicContact CG1-CE3 4.38Å; V173-W176 HydrophobicContact CG2-CB 4.2Å; V173-P204 HydrophobicContact CG1-CB 4.22Å; V173-P204 HydrophobicContact CG2-CB 4.25Å; V173-W206 VanDerWaalsContact O-CE3 3.31Å; V173-R232 HydrophobicContact CG1-CB 4.39Å; V173-R232 HydrophobicContact CG1-CG 3.96Å
174	P	98.1	Very high	98.3	Very high	49 Å²	49	28.6 Å²	28.6	32%	0.318	17%	0.168	S	C	.	.	S	Bend	trans	-62.8	177.9	164.1	31.4	-36.6	0	0	0	110.9	W176 K230 C231	P174-W176 HydrophobicContact CG-CE3 4.01Å; P174-W176 HydrophobicContact CG-CZ3 4.01Å; P174-W176 PolarHBondContact O-N 2.76Å; P174-K230 HydrophobicContact CG-CB 4.26Å; P174-K230 HydrophobicContact CG-CG 4.45Å; P174-C231 WeakPolarHBondContact CD-O 3.47Å
175	P	98.1	Very high	98.4	Very high	117 Å²	117	26.8 Å²	26.8	76%	0.76	16%	0.162	S	C	*	.	S	Bend	trans	-49.4	117.3	171.8	-28.8	36.4	0	0	0	112.1	K230	P175-K230 PolarHBondContact O-NZ 3.04Å
176	W	98.5	Very high	98.5	Very high	31 Å²	31	26 Å²	26	12%	0.117	16%	0.158	C	C	.	.			trans	-122.4	144	-171.7	-146.7	-86.8	0	0	0	110.6	V173 P174 D180 G181 P204 V225 K230 R232	V173-W176 HydrophobicContact CB-CE3 3.93Å; V173-W176 HydrophobicContact CG1-CE3 4.38Å; V173-W176 HydrophobicContact CG2-CB 4.2Å; P174-W176 HydrophobicContact CG-CE3 4.01Å; P174-W176 HydrophobicContact CG-CZ3 4.01Å; P174-W176 PolarHBondContact O-N 2.76Å; W176-D180 WeakPolarHBondContact CA-OD2 3.46Å; W176-D180 HydrophobicContact CD2-CB 4.2Å; W176-D180 HydrophobicContact CG-CB 4.33Å; W176-D180 HydrophobicContact CZ2-CB 4.01Å; W176-G181 PolarHBondContact NE1-O 3.02Å; W176-P204 HydrophobicContact CB-CG 4.48Å; W176-P204 WeakPolarHBondContact CB-O 3.37Å; W176-P204 HydrophobicContact CD2-CG 4.26Å; W176-P204 HydrophobicContact CG-CG 3.84Å; W176-V225 HydrophobicContact CH2-CG1 4.3Å; W176-V225 HydrophobicContact CZ2-CG1 4.12Å; W176-V225 HydrophobicContact CZ2-CG2 4.42Å; W176-K230 HydrophobicContact CE3-CB 4.29Å; W176-K230 HydrophobicContact CE3-CD 4.19Å; W176-K230 HydrophobicContact CH2-CB 3.74Å; W176-K230 HydrophobicContact CZ3-CB 3.47Å; W176-K230 VanDerWaalsContact CZ3-CB 3.47Å; W176-K230 HydrophobicContact CZ3-CD 4.18Å; W176-K230 HydrophobicContact CZ3-CG 4.45Å; W176-R232 HydrophobicContact CH2-CB 3.58Å; W176-R232 HydrophobicContact CZ2-CB 3.86Å; W176-R232 HydrophobicContact CZ3-CB 4.08Å
177	Q	97.9	Very high	98.5	Very high	109 Å²	109	26.5 Å²	26.5	51%	0.509	16%	0.16	S	C	.	.			trans	-135.7	164.4	179	53.9	179.5	2.4	0	0	110.1	S179 D180	Q177-S179 WeakPolarHBondContact CG-OG 3.49Å; Q177-S179 PolarHBondContact NE2-OG 3.49Å; Q177-S179 PolarHBondContact O-N 3.04Å; Q177-S179 VanDerWaalsContact O-N 3.15Å; Q177-D180 HydrophobicContact CG-CB 4.49Å; Q177-D180 VanDerWaalsContact CG-CG 3.44Å; Q177-D180 WeakPolarHBondContact CG-OD1 3.34Å; Q177-D180 VanDerWaalsContact CG-OD2 3.24Å; Q177-D180 WeakPolarHBondContact CG-OD2 3.3Å; Q177-D180 PolarHBondContact N-OD2 2.89Å; Q177-D180 PolarHBondContact NE2-OD1 3.47Å; Q177-D180 WeakPolarHBondContact O-CB 3.49Å; Q177-D180 PolarHBondContact O-N 3.01Å
178	S	97.9	Very high	98.5	Very high	96 Å²	96	27.1 Å²	27.1	67%	0.671	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-56.9	-33.1	-177.6	-51.3	0	0	0	0	113.6	D180 G181 V203	S178-D180 PolarHBondContact O-N 3.22Å; S178-G181 PolarHBondContact O-N 3.06Å; S178-V203 WeakPolarHBondContact OG-CG2 3.38Å
179	S	97.6	Very high	98.5	Very high	79 Å²	79	29.5 Å²	29.5	55%	0.552	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-72.5	-12.7	179.3	60.9	0	0	0	0	114.1	Q177 G181	Q177-S179 WeakPolarHBondContact CG-OG 3.49Å; Q177-S179 PolarHBondContact NE2-OG 3.49Å; Q177-S179 PolarHBondContact O-N 3.04Å; Q177-S179 VanDerWaalsContact O-N 3.15Å; S179-G181 PolarHBondContact O-N 3.38Å
180	D	98.4	Very high	98.3	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.048	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-79	-7.9	175.8	-58.7	-25.9	0	0	0	111.7	W176 Q177 S178 L226 S227 K230	W176-D180 WeakPolarHBondContact CA-OD2 3.46Å; W176-D180 HydrophobicContact CD2-CB 4.2Å; W176-D180 HydrophobicContact CG-CB 4.33Å; W176-D180 HydrophobicContact CZ2-CB 4.01Å; Q177-D180 HydrophobicContact CG-CB 4.49Å; Q177-D180 VanDerWaalsContact CG-CG 3.44Å; Q177-D180 WeakPolarHBondContact CG-OD1 3.34Å; Q177-D180 VanDerWaalsContact CG-OD2 3.24Å; Q177-D180 WeakPolarHBondContact CG-OD2 3.3Å; Q177-D180 PolarHBondContact N-OD2 2.89Å; Q177-D180 PolarHBondContact NE2-OD1 3.47Å; Q177-D180 WeakPolarHBondContact O-CB 3.49Å; Q177-D180 PolarHBondContact O-N 3.01Å; S178-D180 PolarHBondContact O-N 3.22Å; D180-L226 PolarHBondContact O-N 3.01Å; D180-S227 PolarHBondContact O-N 3.4Å; D180-S227 VanDerWaalsContact O-N 3.15Å; D180-K230 VanDerWaalsContact CG-NZ 3.26Å; D180-K230 IonicContact OD1-NZ 2.63Å; D180-K230 PolarHBondContact OD1-NZ 2.97Å; D180-K230 IonicContact OD2-NZ 3.04Å; D180-K230 PolarHBondContact OD2-NZ 2.94Å
181	G	98.6	Very high	98	Very high	7 Å²	7	36.4 Å²	36.4	7%	0.072	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	70.6	-156.7	-173.2	0	0	0	0	0	112.6	W176 S178 S179 S183 E224	W176-G181 PolarHBondContact NE1-O 3.02Å; S178-G181 PolarHBondContact O-N 3.06Å; S179-G181 PolarHBondContact O-N 3.38Å; G181-S183 PolarHBondContact O-N 3.26Å; G181-E224 CarbonylContact C-O 3.58Å; G181-E224 WeakPolarHBondContact CA-O 3.35Å
182	G	98.7	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.241	C	C	.	.			trans	67.1	18.1	175	0	0	0	0	0	115.2	S223 E224 R232	G182-S223 WeakPolarHBondContact CA-O 3.42Å; G182-S223 PolarHBondContact N-O 3.02Å; G182-S223 PolarHBondContact N-OG 3.01Å; G182-E224 PolarHBondContact N-O 2.96Å; G182-R232 WeakPolarHBondContact O-CD 3.4Å; G182-R232 PolarHBondContact O-NE 3.24Å; G182-R232 PolarHBondContact O-NH2 3Å
183	S	98.9	Very high	97.5	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.091	26%	0.263	C	S	.	.			trans	-65.8	148.7	174.8	55.1	0	0	0	0	111.2	G181 D185 S201 L202 V222 S223	G181-S183 PolarHBondContact O-N 3.26Å; S183-D185 WeakPolarHBondContact CB-OD1 3.36Å; S183-D185 PolarHBondContact OG-OD1 3.02Å; S183-S201 WeakPolarHBondContact CB-OG 3.48Å; S183-S201 PolarHBondContact OG-OG 3.31Å; S183-L202 WeakPolarHBondContact CA-O 3.28Å; S183-V222 CarbonylContact O-C 3.5Å; S183-V222 VanDerWaalsContact O-CA 3.3Å; S183-V222 WeakPolarHBondContact O-CA 3.28Å; S183-S223 PolarHBondContact N-OG 3.46Å; S183-S223 PolarHBondContact O-N 2.67Å; S183-S223 WeakPolarHBondContact OG-CB 3.49Å; S183-S223 PolarHBondContact OG-OG 2.91Å
184	L	98.9	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	106.2	163.3	170.5	65.9	0	0	0	107.8	I169 Y171 L186 L202 V210 F212 H220 Q221	I169-L184 HydrophobicContact CD1-CD1 4.26Å; I169-L184 HydrophobicContact CD1-CD2 3.85Å; Y171-L184 WeakPolarHBondContact OH-CB 3.47Å; L184-L186 HydrophobicContact CD1-CD2 4.18Å; L184-L186 HydrophobicContact CD2-CD2 4.32Å; L184-L186 HydrophobicContact CG-CD2 3.9Å; L184-L202 HydrophobicContact CB-CB 4.25Å; L184-L202 HydrophobicContact CD2-CD1 4.18Å; L184-L202 PolarHBondContact N-O 3.15Å; L184-L202 PolarHBondContact O-N 2.88Å; L184-V210 HydrophobicContact CD2-CB 4.33Å; L184-V210 HydrophobicContact CD2-CG1 3.8Å; L184-F212 HydrophobicContact CD2-CE1 4.28Å; L184-H220 HydrophobicContact CD1-CB 4.08Å; L184-Q221 WeakPolarHBondContact CA-O 3.2Å
185	D	98.9	Very high	97.4	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.4	-179.9	-56.5	-30.5	0	0	0	110.1	S183 I198 K200 S201 H220 Q221 S223	S183-D185 WeakPolarHBondContact CB-OD1 3.36Å; S183-D185 PolarHBondContact OG-OD1 3.02Å; D185-I198 HydrophobicContact CB-CD1 3.91Å; D185-I198 HydrophobicContact CB-CG1 4.03Å; D185-I198 HydrophobicContact CB-CG2 3.75Å; D185-K200 CarbonylContact C-O 3.37Å; D185-K200 WeakPolarHBondContact CA-O 3.34Å; D185-S201 VanDerWaalsContact OD1-CB 3.27Å; D185-S201 WeakPolarHBondContact OD1-CB 3.29Å; D185-S201 PolarHBondContact OD1-OG 2.91Å; D185-H220 CarbonylContact O-C 3.55Å; D185-H220 WeakPolarHBondContact O-CA 3.31Å; D185-H220 VanDerWaalsContact O-CB 3.24Å; D185-H220 WeakPolarHBondContact O-CB 3.2Å; D185-Q221 HydrophobicContact CB-CG 3.69Å; D185-Q221 PolarHBondContact N-O 2.83Å; D185-Q221 PolarHBondContact O-N 3.02Å; D185-Q221 PolarHBondContact OD2-NE2 2.82Å; D185-S223 WeakPolarHBondContact OD2-CB 3.48Å
186	L	98.9	Very high	97.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.4	-179.2	-45.1	-177.3	0	0	0	109.6	P62 F63 L184 V199 K200 L202 H220	P62-L186 HydrophobicContact CG-CB 3.71Å; F63-L186 HydrophobicContact CE1-CB 4.23Å; F63-L186 HydrophobicContact CE2-CD1 4.48Å; F63-L186 HydrophobicContact CE2-CD2 4.38Å; F63-L186 HydrophobicContact CZ-CB 4.1Å; F63-L186 HydrophobicContact CZ-CD1 4.37Å; F63-L186 HydrophobicContact CZ-CD2 3.89Å; F63-L186 HydrophobicContact CZ-CG 4.34Å; L184-L186 HydrophobicContact CD1-CD2 4.18Å; L184-L186 HydrophobicContact CD2-CD2 4.32Å; L184-L186 HydrophobicContact CG-CD2 3.9Å; L186-V199 PolarHBondContact O-N 3.09Å; L186-K200 HydrophobicContact CB-CB 4.22Å; L186-K200 HydrophobicContact CD1-CB 4.28Å; L186-K200 HydrophobicContact CD1-CD 4.26Å; L186-K200 HydrophobicContact CG-CB 4.35Å; L186-K200 PolarHBondContact N-O 2.92Å; L186-K200 PolarHBondContact O-N 2.91Å; L186-L202 HydrophobicContact CD1-CD1 4.43Å; L186-H220 HydrophobicContact CD2-CB 3.85Å
187	Y	98.8	Very high	97.2	Very high	12 Å²	12	44.6 Å²	44.6	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	143.1	-175.7	-73.9	-95	0	0	0	112.5	P62 C156 P195 S197 I198 F219 Q221 P326	P62-Y187 VanDerWaalsContact CB-O 3.22Å; P62-Y187 WeakPolarHBondContact CB-O 3.33Å; P62-Y187 WeakPolarHBondContact CG-O 3.47Å; C156-Y187 HydrophobicContact CB-CE2 3.84Å; Y187-P195 HydrophobicContact CD1-CB 4.13Å; Y187-P195 HydrophobicContact CG-CB 4.11Å; Y187-S197 CarbonylContact C-O 3.55Å; Y187-S197 VanDerWaalsContact CA-O 3.29Å; Y187-S197 WeakPolarHBondContact CA-O 3.38Å; Y187-I198 HydrophobicContact CD1-CG1 4.03Å; Y187-I198 HydrophobicContact CD2-CG1 4.48Å; Y187-I198 HydrophobicContact CE1-CD1 4.37Å; Y187-I198 HydrophobicContact CE1-CG1 3.53Å; Y187-I198 HydrophobicContact CE2-CG1 4.05Å; Y187-I198 HydrophobicContact CG-CG1 4.48Å; Y187-F219 HydrophobicContact CD2-CB 4.45Å; Y187-F219 HydrophobicContact CG-CB 4.46Å; Y187-F219 PolarHBondContact N-O 2.88Å; Y187-Q221 HydrophobicContact CE2-CB 4.2Å; Y187-Q221 HydrophobicContact CE2-CG 3.82Å; Y187-Q221 VanDerWaalsContact OH-CD 3.26Å; Y187-Q221 PolarHBondContact OH-OE1 3.08Å; Y187-P326 HydrophobicContact CD1-CG 4.28Å; Y187-P326 HydrophobicContact CE1-CB 3.76Å; Y187-P326 HydrophobicContact CE1-CG 3.74Å
188	S	98.1	Very high	97.3	Very high	16 Å²	16	43 Å²	43	11%	0.112	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	160.7	157.4	61.3	0	0	0	0	110.5	P195 E196 S197	S188-P195 WeakPolarHBondContact O-CA 3.41Å; S188-E196 PolarHBondContact O-N 2.88Å; S188-S197 PolarHBondContact N-O 3.09Å; S188-S197 PolarHBondContact OG-N 3.08Å; S188-S197 PolarHBondContact OG-O 2.7Å; S188-S197 PolarHBondContact OG-OG 3.48Å
189	T	97.3	Very high	97.3	Very high	50 Å²	50	41.3 Å²	41.3	31%	0.307	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.8	173.1	54	0	0	0	0	112.2	Q194 V217 F219	T189-Q194 CarbonylContact C-O 3.44Å; T189-Q194 WeakPolarHBondContact CA-O 3.29Å; T189-V217 HydrophobicContact CG2-CB 3.85Å; T189-V217 HydrophobicContact CG2-CG1 4.05Å; T189-F219 HydrophobicContact CG2-CD2 3.73Å; T189-F219 HydrophobicContact CG2-CE2 4.24Å
190	D	95.3	Very high	97.3	Very high	55 Å²	55	39.3 Å²	39.3	29%	0.294	22%	0.218	S	C	.	.			trans	-81.8	-177.2	174.2	81.5	-13.1	0	0	0	112.1	N192 F193 Q194	D190-N192 PolarHBondContact O-N 2.83Å; D190-N192 VanDerWaalsContact O-N 3.14Å; D190-N192 VanDerWaalsContact OD1-C 3.27Å; D190-N192 VanDerWaalsContact OD1-CA 3.27Å; D190-N192 WeakPolarHBondContact OD1-CA 3.4Å; D190-N192 WeakPolarHBondContact OD1-CB 3.43Å; D190-N192 PolarHBondContact OD1-N 3.33Å; D190-N192 PolarHBondContact OD2-ND2 3.38Å; D190-N192 VanDerWaalsContact OD2-ND2 3.11Å; D190-F193 PolarHBondContact O-N 3.48Å; D190-F193 VanDerWaalsContact O-N 3.14Å; D190-F193 PolarHBondContact OD1-N 3.4Å; D190-F193 VanDerWaalsContact OD1-N 3.11Å; D190-Q194 PolarHBondContact N-O 3.29Å; D190-Q194 PolarHBondContact OD1-N 3.43Å
191	S	93.6	Very high	97.4	Very high	108 Å²	108	42 Å²	42	76%	0.755	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.9	177.4	57.4	0	0	0	0	114.6
192	N	92.9	Very high	97.4	Very high	66 Å²	66	42.7 Å²	42.7	35%	0.353	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	11.7	178.2	-54.8	-60	0	0	0	112.3	D190 Q194 F250	D190-N192 PolarHBondContact O-N 2.83Å; D190-N192 VanDerWaalsContact O-N 3.14Å; D190-N192 VanDerWaalsContact OD1-C 3.27Å; D190-N192 VanDerWaalsContact OD1-CA 3.27Å; D190-N192 WeakPolarHBondContact OD1-CA 3.4Å; D190-N192 WeakPolarHBondContact OD1-CB 3.43Å; D190-N192 PolarHBondContact OD1-N 3.33Å; D190-N192 PolarHBondContact OD2-ND2 3.38Å; D190-N192 VanDerWaalsContact OD2-ND2 3.11Å; N192-Q194 HydrophobicContact CB-CG 4.3Å; N192-Q194 PolarHBondContact O-N 2.9Å; N192-F250 HydrophobicContact CB-CD2 3.68Å; N192-F250 HydrophobicContact CB-CE2 3.86Å; N192-F250 HydrophobicContact CB-CG 4.12Å; N192-F250 HydrophobicContact CB-CZ 4.44Å
193	F	94.3	Very high	97.4	Very high	102 Å²	102	45.3 Å²	45.3	45%	0.447	26%	0.255	S	S	.	.	S	Bend	trans	59.7	31.5	-176.3	-52.4	-93.6	0	0	0	112.7	D190 V217 F219 P247	D190-F193 PolarHBondContact O-N 3.48Å; D190-F193 VanDerWaalsContact O-N 3.14Å; D190-F193 PolarHBondContact OD1-N 3.4Å; D190-F193 VanDerWaalsContact OD1-N 3.11Å; F193-V217 HydrophobicContact CD1-CG1 3.65Å; F193-V217 HydrophobicContact CE1-CG1 4.4Å; F193-F219 WeakPolarHBondContact O-CE2 3.31Å; F193-P247 HydrophobicContact CD2-CG 4.32Å; F193-P247 HydrophobicContact CG-CG 4.34Å
194	Q	96.3	Very high	97.4	Very high	23 Å²	23	44.7 Å²	44.7	11%	0.107	25%	0.251	C	S	.	.			trans	-101.9	145.8	171.9	-60.6	-60.5	-84.2	0	0	109.9	T189 D190 N192 F250 P325	T189-Q194 CarbonylContact C-O 3.44Å; T189-Q194 WeakPolarHBondContact CA-O 3.29Å; D190-Q194 PolarHBondContact N-O 3.29Å; D190-Q194 PolarHBondContact OD1-N 3.43Å; N192-Q194 HydrophobicContact CB-CG 4.3Å; N192-Q194 PolarHBondContact O-N 2.9Å; Q194-F250 HydrophobicContact CG-CB 4.42Å; Q194-F250 HydrophobicContact CG-CD1 3.95Å; Q194-F250 HydrophobicContact CG-CG 4.32Å; Q194-P325 HydrophobicContact CB-CB 4.29Å; Q194-P325 HydrophobicContact CB-CG 4.36Å
195	P	97.6	Very high	97.3	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.4	176.8	25.9	-30.9	0	0	0	110.8	Y187 S188 F219 P325 P326 N327	Y187-P195 HydrophobicContact CD1-CB 4.13Å; Y187-P195 HydrophobicContact CG-CB 4.11Å; S188-P195 WeakPolarHBondContact O-CA 3.41Å; P195-F219 HydrophobicContact CB-CB 3.88Å; P195-F219 HydrophobicContact CB-CD1 4.18Å; P195-F219 HydrophobicContact CB-CD2 4.11Å; P195-F219 HydrophobicContact CB-CG 3.79Å; P195-F219 HydrophobicContact CG-CB 4.47Å; P195-F219 HydrophobicContact CG-CD1 3.82Å; P195-F219 HydrophobicContact CG-CD2 4.28Å; P195-F219 HydrophobicContact CG-CE1 4.09Å; P195-F219 HydrophobicContact CG-CG 3.93Å; P195-F219 HydrophobicContact CG-CZ 4.44Å; P195-P325 HydrophobicContact CG-CB 4.45Å; P195-P325 WeakPolarHBondContact O-CB 3.44Å; P195-P326 WeakPolarHBondContact O-CD 3.26Å; P195-N327 VanDerWaalsContact CD-OD1 3.24Å; P195-N327 WeakPolarHBondContact CD-OD1 3.26Å; P195-N327 HydrophobicContact CG-CB 3.73Å; P195-N327 WeakPolarHBondContact CG-OD1 3.34Å
196	E	96.1	Very high	97.3	Very high	126 Å²	126	50.4 Å²	50.4	59%	0.589	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	-64.5	-177.7	-176.7	-176.2	-123.9	0	0	111.6	S188	S188-E196 PolarHBondContact O-N 2.88Å
197	S	97.1	Very high	97.3	Very high	52 Å²	52	50.4 Å²	50.4	36%	0.364	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.4	-175.8	67.5	0	0	0	0	112.2	Y187 S188 V199	Y187-S197 CarbonylContact C-O 3.55Å; Y187-S197 VanDerWaalsContact CA-O 3.29Å; Y187-S197 WeakPolarHBondContact CA-O 3.38Å; S188-S197 PolarHBondContact N-O 3.09Å; S188-S197 PolarHBondContact OG-N 3.08Å; S188-S197 PolarHBondContact OG-O 2.7Å; S188-S197 PolarHBondContact OG-OG 3.48Å; S197-V199 PolarHBondContact O-N 3.31Å
198	I	98.6	Very high	97.3	Very high	75 Å²	75	50.3 Å²	50.3	39%	0.385	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	119.3	172.2	-62.2	167.8	0	0	0	108.2	D185 Y187	D185-I198 HydrophobicContact CB-CD1 3.91Å; D185-I198 HydrophobicContact CB-CG1 4.03Å; D185-I198 HydrophobicContact CB-CG2 3.75Å; Y187-I198 HydrophobicContact CD1-CG1 4.03Å; Y187-I198 HydrophobicContact CD2-CG1 4.48Å; Y187-I198 HydrophobicContact CE1-CD1 4.37Å; Y187-I198 HydrophobicContact CE1-CG1 3.53Å; Y187-I198 HydrophobicContact CE2-CG1 4.05Å; Y187-I198 HydrophobicContact CG-CG1 4.48Å
199	V	98.5	Very high	97.3	Very high	61 Å²	61	49.5 Å²	49.5	37%	0.37	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-15.8	178.5	-63.9	0	0	0	0	113	P62 L186 S197	P62-V199 HydrophobicContact CB-CG2 3.7Å; P62-V199 HydrophobicContact CG-CG2 3.62Å; L186-V199 PolarHBondContact O-N 3.09Å; S197-V199 PolarHBondContact O-N 3.31Å
200	K	98.6	Very high	97.4	Very high	37 Å²	37	47.3 Å²	47.3	16%	0.161	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	137.9	173.8	-160.8	171.6	-167.6	175.9	0	110.3	D59 H65 D185 L186 L202	D59-K200 IonicContact OD2-NZ 2.69Å; D59-K200 PolarHBondContact OD2-NZ 3.43Å; H65-K200 VanDerWaalsContact NE2-CD 3.29Å; H65-K200 WeakPolarHBondContact NE2-CD 3.4Å; H65-K200 WeakPolarHBondContact NE2-CE 3.25Å; H65-K200 PolarHBondContact NE2-NZ 3.22Å; D185-K200 CarbonylContact C-O 3.37Å; D185-K200 WeakPolarHBondContact CA-O 3.34Å; L186-K200 HydrophobicContact CB-CB 4.22Å; L186-K200 HydrophobicContact CD1-CB 4.28Å; L186-K200 HydrophobicContact CD1-CD 4.26Å; L186-K200 HydrophobicContact CG-CB 4.35Å; L186-K200 PolarHBondContact N-O 2.92Å; L186-K200 PolarHBondContact O-N 2.91Å; K200-L202 HydrophobicContact CD-CD2 4.09Å; K200-L202 HydrophobicContact CG-CD2 4.08Å
201	S	98.6	Very high	97.5	Very high	65 Å²	65	44.7 Å²	44.7	46%	0.455	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.1	176.8	-174.5	0	0	0	0	109.3	S183 D185	S183-S201 WeakPolarHBondContact CB-OG 3.48Å; S183-S201 PolarHBondContact OG-OG 3.31Å; D185-S201 VanDerWaalsContact OD1-CB 3.27Å; D185-S201 WeakPolarHBondContact OD1-CB 3.29Å; D185-S201 PolarHBondContact OD1-OG 2.91Å
202	L	98.8	Very high	97.8	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.11	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.2	-176	-57.8	-179.6	0	0	0	109.4	I67 S183 L184 L186 K200 V210	I67-L202 HydrophobicContact CD1-CD1 4.08Å; I67-L202 HydrophobicContact CD1-CD2 3.72Å; I67-L202 HydrophobicContact CG1-CD1 4.37Å; S183-L202 WeakPolarHBondContact CA-O 3.28Å; L184-L202 HydrophobicContact CB-CB 4.25Å; L184-L202 HydrophobicContact CD2-CD1 4.18Å; L184-L202 PolarHBondContact N-O 3.15Å; L184-L202 PolarHBondContact O-N 2.88Å; L186-L202 HydrophobicContact CD1-CD1 4.43Å; K200-L202 HydrophobicContact CD-CD2 4.09Å; K200-L202 HydrophobicContact CG-CD2 4.08Å; L202-V210 HydrophobicContact CD1-CG1 4.08Å; L202-V210 HydrophobicContact CD1-CG2 4.35Å
203	V	98.8	Very high	97.9	Very high	55 Å²	55	37.4 Å²	37.4	33%	0.333	20%	0.202	S	C	.	.			trans	-71.2	125.5	174.8	-176.9	0	0	0	0	108.8	S178 C205	S178-V203 WeakPolarHBondContact OG-CG2 3.38Å; V203-C205 PolarHBondContact O-N 2.97Å
204	P	98.6	Very high	98	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.182	C	C	.	.			trans	-63.7	139.1	179.9	28	-35.3	0	0	0	110	Y171 V173 W176	Y171-P204 HydrophobicContact CD1-CB 3.56Å; Y171-P204 HydrophobicContact CD2-CB 4.1Å; Y171-P204 HydrophobicContact CE1-CB 3.8Å; Y171-P204 HydrophobicContact CE2-CB 4.29Å; Y171-P204 HydrophobicContact CG-CB 3.73Å; V173-P204 HydrophobicContact CG1-CB 4.22Å; V173-P204 HydrophobicContact CG2-CB 4.25Å; W176-P204 HydrophobicContact CB-CG 4.48Å; W176-P204 WeakPolarHBondContact CB-O 3.37Å; W176-P204 HydrophobicContact CD2-CG 4.26Å; W176-P204 HydrophobicContact CG-CG 3.84Å
205	C	98.4	Very high	98	Very high	72 Å²	72	32.4 Å²	32.4	49%	0.486	18%	0.182	S	C	.	.			trans	-133.6	146.4	-180	-169.7	0	0	0	0	109.7	Y171 V203 N207 T208	Y171-C205 VanDerWaalsContact CB-O 3.23Å; Y171-C205 WeakPolarHBondContact CB-O 3.45Å; V203-C205 PolarHBondContact O-N 2.97Å; C205-N207 PolarHBondContact O-N 2.66Å; C205-T208 WeakPolarHBondContact O-CB 3.22Å; C205-T208 PolarHBondContact O-N 3.38Å; C205-T208 PolarHBondContact O-OG1 2.84Å
206	W	98.7	Very high	97.8	Very high	56 Å²	56	33.3 Å²	33.3	21%	0.212	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	134.6	178.3	175.2	-101.1	0	0	0	112	Q75 A78 E79 Q82 L172 V173 T208	Q75-W206 VanDerWaalsContact NE2-NE1 3.1Å; A78-W206 HydrophobicContact CB-CH2 4.49Å; A78-W206 HydrophobicContact CB-CZ2 3.74Å; E79-W206 HydrophobicContact CG-CH2 4.49Å; E79-W206 HydrophobicContact CG-CZ2 4.11Å; Q82-W206 HydrophobicContact CB-CH2 4.01Å; Q82-W206 HydrophobicContact CB-CZ3 4.29Å; Q82-W206 HydrophobicContact CG-CH2 4.4Å; Q82-W206 HydrophobicContact CG-CZ3 4.21Å; L172-W206 HydrophobicContact CB-CE3 4.39Å; L172-W206 HydrophobicContact CB-CZ3 3.91Å; L172-W206 HydrophobicContact CD2-CE3 4.39Å; L172-W206 HydrophobicContact CD2-CH2 4.04Å; L172-W206 HydrophobicContact CD2-CZ2 4.45Å; L172-W206 HydrophobicContact CD2-CZ3 3.98Å; V173-W206 VanDerWaalsContact O-CE3 3.31Å; W206-T208 PolarHBondContact O-N 3.47Å; W206-T208 PolarHBondContact O-OG1 2.7Å
207	N	98.6	Very high	97.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.011	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	38	174.7	-168.5	21.5	0	0	0	113.5	N70 F71 L72 Y171 C205	N70-N207 WeakPolarHBondContact CA-O 3.32Å; N70-N207 PolarHBondContact N-O 2.68Å; F71-N207 PolarHBondContact N-O 3.37Å; F71-N207 PolarHBondContact N-OD1 3.44Å; L72-N207 VanDerWaalsContact CB-OD1 3.32Å; L72-N207 WeakPolarHBondContact CB-OD1 3.42Å; L72-N207 VanDerWaalsContact CG-OD1 3.32Å; L72-N207 WeakPolarHBondContact CG-OD1 3.23Å; L72-N207 PolarHBondContact N-OD1 3.12Å; L72-N207 PolarHBondContact O-ND2 3.31Å; Y171-N207 WeakPolarHBondContact O-CA 3.25Å; Y171-N207 PolarHBondContact O-N 3.4Å; C205-N207 PolarHBondContact O-N 2.66Å
208	T	98.8	Very high	97.9	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.055	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.7	176.7	-59.7	0	0	0	0	109.4	I67 I68 K69 Y171 C205 W206	I67-T208 HydrophobicContact CG2-CG2 3.73Å; I68-T208 WeakPolarHBondContact O-CA 3.38Å; K69-T208 HydrophobicContact CG-CG2 4.27Å; Y171-T208 WeakPolarHBondContact CD2-O 3.23Å; Y171-T208 PolarHBondContact N-O 2.73Å; C205-T208 WeakPolarHBondContact O-CB 3.22Å; C205-T208 PolarHBondContact O-N 3.38Å; C205-T208 PolarHBondContact O-OG1 2.84Å; W206-T208 PolarHBondContact O-N 3.47Å; W206-T208 PolarHBondContact O-OG1 2.7Å
209	L	98.8	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.9	171.7	-175.1	142.8	0	0	0	109.6	I68 F71 L121 F125 F168 I169 L170 L211	I68-L209 HydrophobicContact CB-CB 4.49Å; I68-L209 HydrophobicContact CD1-CD2 4.25Å; I68-L209 PolarHBondContact N-O 2.87Å; I68-L209 PolarHBondContact O-N 3.35Å; F71-L209 HydrophobicContact CB-CB 3.93Å; F71-L209 HydrophobicContact CD1-CB 4.14Å; F71-L209 HydrophobicContact CD1-CD1 3.89Å; F71-L209 HydrophobicContact CD2-CB 3.89Å; F71-L209 HydrophobicContact CD2-CD1 4.12Å; F71-L209 HydrophobicContact CD2-CG 4.48Å; F71-L209 HydrophobicContact CE1-CD1 3.61Å; F71-L209 HydrophobicContact CE2-CB 4.46Å; F71-L209 HydrophobicContact CE2-CD1 3.88Å; F71-L209 HydrophobicContact CG-CB 3.71Å; F71-L209 HydrophobicContact CG-CD1 4.13Å; F71-L209 HydrophobicContact CZ-CD1 3.61Å; L121-L209 HydrophobicContact CD2-CD1 4.05Å; F125-L209 HydrophobicContact CE1-CD1 4.23Å; F125-L209 HydrophobicContact CE1-CD2 4.24Å; F125-L209 HydrophobicContact CZ-CD1 4.47Å; F125-L209 HydrophobicContact CZ-CD2 3.95Å; F168-L209 HydrophobicContact CD2-CD1 4.49Å; I169-L209 CarbonylContact O-C 3.47Å; I169-L209 VanDerWaalsContact O-CA 3.29Å; I169-L209 WeakPolarHBondContact O-CA 3.33Å; L170-L209 HydrophobicContact CB-CD1 4.49Å; L170-L209 HydrophobicContact CD1-CB 4.2Å; L209-L211 HydrophobicContact CD2-CB 3.87Å
210	V	98.8	Very high	97.9	Very high	4 Å²	4	21 Å²	21	2%	0.024	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.3	166.7	-178.9	0	0	0	0	108.5	C66 I67 F168 I169 Y171 L184 L202 F212	C66-V210 CarbonylContact O-C 3.53Å; C66-V210 WeakPolarHBondContact O-CA 3.39Å; I67-V210 HydrophobicContact CG1-CG2 4.34Å; I67-V210 HydrophobicContact CG2-CG2 4.45Å; F168-V210 CarbonylContact C-O 3.51Å; F168-V210 VanDerWaalsContact CA-O 3.27Å; F168-V210 WeakPolarHBondContact CA-O 3.45Å; I169-V210 PolarHBondContact N-O 2.97Å; I169-V210 PolarHBondContact O-N 2.64Å; Y171-V210 HydrophobicContact CE2-CB 4.46Å; Y171-V210 HydrophobicContact CE2-CG2 3.78Å; L184-V210 HydrophobicContact CD2-CB 4.33Å; L184-V210 HydrophobicContact CD2-CG1 3.8Å; L202-V210 HydrophobicContact CD1-CG1 4.08Å; L202-V210 HydrophobicContact CD1-CG2 4.35Å; V210-F212 HydrophobicContact CG1-CD1 4.39Å
211	L	97.9	Very high	97.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	135.5	-177	173.1	84.4	0	0	0	109.3	W45 H65 C66 L129 A166 A167 F168 L209 F239	W45-L211 HydrophobicContact CH2-CD2 4.28Å; W45-L211 HydrophobicContact CZ3-CD2 4.4Å; H65-L211 CarbonylContact C-O 3.54Å; H65-L211 WeakPolarHBondContact CA-O 3.32Å; C66-L211 HydrophobicContact CB-CB 4.48Å; C66-L211 PolarHBondContact N-O 3.37Å; C66-L211 PolarHBondContact O-N 3.29Å; L129-L211 HydrophobicContact CD1-CD2 3.46Å; L129-L211 VanDerWaalsContact CD1-CD2 3.46Å; L129-L211 HydrophobicContact CD1-CG 4.48Å; L129-L211 HydrophobicContact CD2-CD1 3.71Å; L129-L211 HydrophobicContact CD2-CD2 4.17Å; L129-L211 HydrophobicContact CG-CD2 4.42Å; A166-L211 HydrophobicContact CB-CD1 4.05Å; A167-L211 WeakPolarHBondContact O-CA 3.45Å; A167-L211 WeakPolarHBondContact O-CD1 3Å; F168-L211 HydrophobicContact CB-CD1 4.03Å; L209-L211 HydrophobicContact CD2-CB 3.87Å; L211-F239 HydrophobicContact CD1-CD2 4.27Å; L211-F239 HydrophobicContact CD1-CE2 4.21Å
212	F	98.1	Very high	97.9	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.5	171.9	51.9	-92.6	0	0	0	111.6	F63 P64 H65 A166 A167 I169 L184 V210 H220	F63-F212 HydrophobicContact CD2-CB 4.27Å; F63-F212 HydrophobicContact CE2-CB 4.01Å; F63-F212 HydrophobicContact CE2-CD2 4.09Å; F63-F212 HydrophobicContact CE2-CG 4.04Å; P64-F212 WeakPolarHBondContact O-CB 3.38Å; H65-F212 HydrophobicContact CB-CB 3.73Å; A166-F212 CarbonylContact C-O 3.6Å; A166-F212 VanDerWaalsContact CA-O 3.25Å; A166-F212 WeakPolarHBondContact CA-O 3.29Å; A167-F212 HydrophobicContact CB-CD2 4.06Å; A167-F212 HydrophobicContact CB-CE1 4.26Å; A167-F212 HydrophobicContact CB-CE2 3.52Å; A167-F212 HydrophobicContact CB-CZ 3.62Å; A167-F212 PolarHBondContact N-O 3.26Å; A167-F212 PolarHBondContact O-N 2.85Å; I169-F212 HydrophobicContact CD1-CE1 4.29Å; L184-F212 HydrophobicContact CD2-CE1 4.28Å; V210-F212 HydrophobicContact CG1-CD1 4.39Å; F212-H220 AromaticContact CE2-CE1 3.7Å; F212-H220 AromaticContact CE2-ND1 3.85Å; F212-H220 AromaticContact CZ-CD2 3.92Å; F212-H220 AromaticContact CZ-CE1 3.57Å; F212-H220 AromaticContact CZ-ND1 3.84Å; F212-H220 AromaticContact CZ-NE2 3.58Å
213	E	95.7	Very high	97.9	Very high	20 Å²	20	17.4 Å²	17.4	9%	0.093	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.4	176.6	-179	168.6	-150.7	0	0	110.3	W45 R48 R165 S215 S218 L244	W45-E213 HydrophobicContact CZ2-CB 4.1Å; R48-E213 IonicContact NH1-OE2 3.19Å; R48-E213 IonicContact NH2-OE2 3.76Å; R165-E213 IonicContact CZ-OE1 3.08Å; R165-E213 IonicContact NE-OE1 3.37Å; R165-E213 IonicContact NH2-OE1 3.09Å; R165-E213 PolarHBondContact NH2-OE1 3.39Å; E213-S215 PolarHBondContact O-N 3.43Å; E213-S218 WeakPolarHBondContact O-CB 3.35Å; E213-L244 HydrophobicContact CG-CD1 4.26Å
214	V	97.1	Very high	97.9	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.024	9%	0.086	C	C	.	.			trans	-75.7	118.8	174.5	178.3	0	0	0	0	107.9	D159 R164 R165 A167 L244	D159-V214 HydrophobicContact CB-CG1 4.2Å; D159-V214 HydrophobicContact CB-CG2 4.12Å; D159-V214 WeakPolarHBondContact O-CG1 3.43Å; R164-V214 HydrophobicContact CB-CG1 4.41Å; R164-V214 HydrophobicContact CB-CG2 4.3Å; R165-V214 PolarHBondContact O-N 2.9Å; A167-V214 HydrophobicContact CB-CG2 4.15Å; V214-L244 WeakPolarHBondContact O-CD1 3.32Å
215	S	95.4	Very high	98	Very high	16 Å²	16	15.2 Å²	15.2	11%	0.112	9%	0.086	C	C	.	.			trans	-148.7	168.1	-173.1	73.7	0	0	0	0	111.5	E213 V217 S218	E213-S215 PolarHBondContact O-N 3.43Å; S215-V217 PolarHBondContact O-N 2.82Å; S215-V217 WeakPolarHBondContact OG-CG2 3.5Å; S215-V217 PolarHBondContact OG-N 3.21Å; S215-S218 PolarHBondContact N-OG 3.44Å; S215-S218 PolarHBondContact O-N 2.93Å; S215-S218 PolarHBondContact O-OG 2.9Å; S215-S218 PolarHBondContact OG-N 2.69Å
216	P	94.9	Very high	97.9	Very high	23 Å²	23	14.6 Å²	14.6	15%	0.149	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-4.7	175.5	-25	35.3	0	0	0	115.8	F219 R246 P247	P216-F219 WeakPolarHBondContact O-CE2 3.31Å; P216-R246 HydrophobicContact CG-CB 4.33Å; P216-R246 HydrophobicContact CG-CG 4.05Å; P216-P247 HydrophobicContact CB-CG 4.16Å; P216-P247 HydrophobicContact CG-CG 4.49Å
217	V	96.5	Very high	97.9	Very high	37 Å²	37	12.3 Å²	12.3	22%	0.224	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	4.2	-177.6	-60.7	0	0	0	0	113.1	F63 T189 F193 S215 F219	F63-V217 VanDerWaalsContact CD1-O 3.23Å; F63-V217 WeakPolarHBondContact CD1-O 3.36Å; T189-V217 HydrophobicContact CG2-CB 3.85Å; T189-V217 HydrophobicContact CG2-CG1 4.05Å; F193-V217 HydrophobicContact CD1-CG1 3.65Å; F193-V217 HydrophobicContact CE1-CG1 4.4Å; S215-V217 PolarHBondContact O-N 2.82Å; S215-V217 WeakPolarHBondContact OG-CG2 3.5Å; S215-V217 PolarHBondContact OG-N 3.21Å; V217-F219 PolarHBondContact O-N 3.19Å
218	S	97.6	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.			trans	-79.8	43.2	-178.5	51.9	0	0	0	0	113	F63 D158 E213 S215 H220	F63-S218 VanDerWaalsContact CE1-CA 3.48Å; D158-S218 PolarHBondContact O-OG 2.89Å; E213-S218 WeakPolarHBondContact O-CB 3.35Å; S215-S218 PolarHBondContact N-OG 3.44Å; S215-S218 PolarHBondContact O-N 2.93Å; S215-S218 PolarHBondContact O-OG 2.9Å; S215-S218 PolarHBondContact OG-N 2.69Å; S218-H220 PolarHBondContact O-N 3.09Å; S218-H220 PolarHBondContact O-ND1 3.44Å
219	F	98.6	Very high	97.7	Very high	12 Å²	12	25.4 Å²	25.4	5%	0.053	14%	0.135	C	C	.	.			trans	-67.8	127.9	-179.4	-73.7	-78.2	0	0	0	111.2	F63 H157 D158 Y187 T189 F193 P195 P216 V217 N327	F63-F219 WeakPolarHBondContact CE1-O 3.24Å; H157-F219 CarbonylContact O-C 3.4Å; H157-F219 VanDerWaalsContact O-CA 3.29Å; H157-F219 WeakPolarHBondContact O-CA 3.3Å; D158-F219 HydrophobicContact CB-CD1 3.85Å; D158-F219 HydrophobicContact CB-CE1 3.8Å; D158-F219 HydrophobicContact CB-CG 4.25Å; D158-F219 HydrophobicContact CB-CZ 4.14Å; Y187-F219 HydrophobicContact CD2-CB 4.45Å; Y187-F219 HydrophobicContact CG-CB 4.46Å; Y187-F219 PolarHBondContact N-O 2.88Å; T189-F219 HydrophobicContact CG2-CD2 3.73Å; T189-F219 HydrophobicContact CG2-CE2 4.24Å; F193-F219 WeakPolarHBondContact O-CE2 3.31Å; P195-F219 HydrophobicContact CB-CB 3.88Å; P195-F219 HydrophobicContact CB-CD1 4.18Å; P195-F219 HydrophobicContact CB-CD2 4.11Å; P195-F219 HydrophobicContact CB-CG 3.79Å; P195-F219 HydrophobicContact CG-CB 4.47Å; P195-F219 HydrophobicContact CG-CD1 3.82Å; P195-F219 HydrophobicContact CG-CD2 4.28Å; P195-F219 HydrophobicContact CG-CE1 4.09Å; P195-F219 HydrophobicContact CG-CG 3.93Å; P195-F219 HydrophobicContact CG-CZ 4.44Å; P216-F219 WeakPolarHBondContact O-CE2 3.31Å; V217-F219 PolarHBondContact O-N 3.19Å; F219-N327 HydrophobicContact CD1-CB 4.29Å; F219-N327 HydrophobicContact CE1-CB 3.98Å
220	H	98.9	Very high	97.6	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.028	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	167.4	-178.3	66.3	-75.9	0	0	0	111.4	C156 H157 D159 L184 D185 L186 F212 S218	C156-H220 WeakPolarHBondContact CA-O 3.44Å; H157-H220 AromaticContact CD2-CE1 3.98Å; H157-H220 AromaticContact CE1-CD2 3.79Å; H157-H220 AromaticContact CE1-CE1 3.89Å; H157-H220 AromaticContact CE1-NE2 3.43Å; H157-H220 PolarHBondContact CE1-NE2 2.81Å; H157-H220 PolarHBondContact N-O 2.78Å; H157-H220 PolarHBondContact ND1-O 2.85Å; H157-H220 AromaticContact NE2-CE1 3.55Å; H157-H220 AromaticContact NE2-NE2 3.26Å; H157-H220 PolarHBondContact NE2-NE2 3.22Å; H157-H220 PolarHBondContact O-N 3.11Å; H157-H220 PolarHBondContact O-ND1 3.34Å; D159-H220 IonicContact OD2-CE1 3.83Å; D159-H220 IonicContact OD2-NE2 3.88Å; L184-H220 HydrophobicContact CD1-CB 4.08Å; D185-H220 CarbonylContact O-C 3.55Å; D185-H220 WeakPolarHBondContact O-CA 3.31Å; D185-H220 VanDerWaalsContact O-CB 3.24Å; D185-H220 WeakPolarHBondContact O-CB 3.2Å; L186-H220 HydrophobicContact CD2-CB 3.85Å; F212-H220 AromaticContact CE2-CE1 3.7Å; F212-H220 AromaticContact CE2-ND1 3.85Å; F212-H220 AromaticContact CZ-CD2 3.92Å; F212-H220 AromaticContact CZ-CE1 3.57Å; F212-H220 AromaticContact CZ-ND1 3.84Å; F212-H220 AromaticContact CZ-NE2 3.58Å; S218-H220 PolarHBondContact O-N 3.09Å; S218-H220 PolarHBondContact O-ND1 3.44Å
221	Q	98.9	Very high	97.6	Very high	21 Å²	21	29 Å²	29	10%	0.098	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	163.1	173.5	67.4	173.3	36.5	0	0	110.8	L154 L184 D185 Y187	L154-Q221 CarbonylContact O-C 3.58Å; L154-Q221 WeakPolarHBondContact O-CA 3.34Å; L154-Q221 WeakPolarHBondContact O-CB 3.47Å; L184-Q221 WeakPolarHBondContact CA-O 3.2Å; D185-Q221 HydrophobicContact CB-CG 3.69Å; D185-Q221 PolarHBondContact N-O 2.83Å; D185-Q221 PolarHBondContact O-N 3.02Å; D185-Q221 PolarHBondContact OD2-NE2 2.82Å; Y187-Q221 HydrophobicContact CE2-CB 4.2Å; Y187-Q221 HydrophobicContact CE2-CG 3.82Å; Y187-Q221 VanDerWaalsContact OH-CD 3.26Å; Y187-Q221 PolarHBondContact OH-OE1 3.08Å
222	V	98.9	Very high	97.6	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	110.9	158.1	-177.2	0	0	0	0	107.2	Y148 V153 L154 S183 R232	Y148-V222 HydrophobicContact CD1-CG1 4.17Å; Y148-V222 HydrophobicContact CE1-CB 4.22Å; Y148-V222 HydrophobicContact CE1-CG1 4.08Å; V153-V222 WeakPolarHBondContact CG2-O 3.23Å; L154-V222 HydrophobicContact CB-CB 4.04Å; L154-V222 HydrophobicContact CB-CG2 4.23Å; L154-V222 HydrophobicContact CD2-CG2 4.24Å; L154-V222 PolarHBondContact N-O 3.39Å; L154-V222 VanDerWaalsContact N-O 3.11Å; L154-V222 PolarHBondContact O-N 2.86Å; S183-V222 CarbonylContact O-C 3.5Å; S183-V222 VanDerWaalsContact O-CA 3.3Å; S183-V222 WeakPolarHBondContact O-CA 3.28Å; V222-R232 VanDerWaalsContact CG1-CZ 3.48Å
223	S	98.8	Very high	97.6	Very high	21 Å²	21	29.2 Å²	29.2	15%	0.147	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-59	155.2	176.6	64.4	0	0	0	0	111.1	G182 S183 D185 V225	G182-S223 WeakPolarHBondContact CA-O 3.42Å; G182-S223 PolarHBondContact N-O 3.02Å; G182-S223 PolarHBondContact N-OG 3.01Å; S183-S223 PolarHBondContact N-OG 3.46Å; S183-S223 PolarHBondContact O-N 2.67Å; S183-S223 WeakPolarHBondContact OG-CB 3.49Å; S183-S223 PolarHBondContact OG-OG 2.91Å; D185-S223 WeakPolarHBondContact OD2-CB 3.48Å; S223-V225 PolarHBondContact O-N 2.89Å
224	E	98.8	Very high	97.8	Very high	9 Å²	9	28.4 Å²	28.4	4%	0.042	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-53	135.4	179.8	-172.9	-175.9	171.2	0	0	111.1	T151 D152 V153 G181 G182 L226 H430 H503 N505 H506	T151-E224 WeakPolarHBondContact CA-OE1 3.13Å; D152-E224 WeakPolarHBondContact O-CA 3.47Å; V153-E224 HydrophobicContact CB-CB 4.43Å; V153-E224 HydrophobicContact CG2-CB 4.44Å; G181-E224 CarbonylContact C-O 3.58Å; G181-E224 WeakPolarHBondContact CA-O 3.35Å; G182-E224 PolarHBondContact N-O 2.96Å; E224-L226 HydrophobicContact CB-CD2 4.33Å; E224-L226 HydrophobicContact CG-CD2 4.14Å; E224-L226 PolarHBondContact O-N 3.48Å; E224-H430 IonicContact OE2-CD2 3.77Å; E224-H430 IonicContact OE2-CE1 3.58Å; E224-H430 IonicContact OE2-NE2 2.77Å; E224-H430 PolarHBondContact OE2-NE2 3.21Å; E224-H503 IonicContact OE2-CE1 3.74Å; E224-H503 PolarHBondContact OE2-CE1 3.41Å; E224-N505 WeakPolarHBondContact OE1-CB 3.16Å; E224-H506 WeakPolarHBondContact OE1-CB 3.23Å; E224-H506 PolarHBondContact OE1-N 3.1Å; E224-H506 PolarHBondContact OE2-N 2.91Å
225	V	98.8	Very high	97.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-76.8	119.1	170.5	171.9	0	0	0	0	109.4	E149 Y150 T151 D152 W176 S223 R232	E149-V225 WeakPolarHBondContact O-CB 3.44Å; Y150-V225 WeakPolarHBondContact CA-O 3.45Å; T151-V225 PolarHBondContact N-O 2.9Å; D152-V225 PolarHBondContact O-N 2.91Å; W176-V225 HydrophobicContact CH2-CG1 4.3Å; W176-V225 HydrophobicContact CZ2-CG1 4.12Å; W176-V225 HydrophobicContact CZ2-CG2 4.42Å; S223-V225 PolarHBondContact O-N 2.89Å; V225-R232 HydrophobicContact CG2-CB 4.29Å
226	L	98.1	Very high	98	Very high	59 Å²	59	28.6 Å²	28.6	31%	0.309	15%	0.153	S	C	.	.			trans	-98.5	-17.1	-177.2	-55.6	-178.9	0	0	0	112.6	Y150 D180 E224 Q228 H506	Y150-L226 WeakPolarHBondContact CD2-O 3.39Å; D180-L226 PolarHBondContact O-N 3.01Å; E224-L226 HydrophobicContact CB-CD2 4.33Å; E224-L226 HydrophobicContact CG-CD2 4.14Å; E224-L226 PolarHBondContact O-N 3.48Å; L226-Q228 PolarHBondContact O-N 2.8Å; L226-H506 HydrophobicContact CD2-CB 3.73Å
227	S	97.4	Very high	98.1	Very high	9 Å²	9	27.6 Å²	27.6	6%	0.063	15%	0.147	C	C	.	.			trans	-68.5	127.8	174.6	-150	0	0	0	0	110.6	D180 D229 K230	D180-S227 PolarHBondContact O-N 3.4Å; D180-S227 VanDerWaalsContact O-N 3.15Å; S227-D229 PolarHBondContact OG-OD1 3.25Å; S227-K230 WeakPolarHBondContact OG-CB 3.19Å; S227-K230 WeakPolarHBondContact OG-CD 3.48Å; S227-K230 VanDerWaalsContact OG-CG 3.24Å; S227-K230 WeakPolarHBondContact OG-CG 3.42Å
228	Q	96.6	Very high	98.2	Very high	151 Å²	151	27.6 Å²	27.6	71%	0.706	14%	0.143	S	C	*	.	S	Bend	trans	-83.5	-19	178.4	-65.3	-177.5	17.2	0	0	113.6	Y150 L226	Y150-Q228 HydrophobicContact CD1-CG 4.07Å; Y150-Q228 HydrophobicContact CD2-CG 3.92Å; Y150-Q228 HydrophobicContact CE1-CG 4.19Å; Y150-Q228 HydrophobicContact CE2-CG 4.04Å; Y150-Q228 HydrophobicContact CG-CG 3.95Å; L226-Q228 PolarHBondContact O-N 2.8Å
229	D	96.4	Very high	98.3	Very high	135 Å²	135	27.6 Å²	27.6	72%	0.722	14%	0.143	S	C	*	.	S	Bend	trans	-118.7	-8.4	-168.5	65	-36.8	0	0	0	114	S227	S227-D229 PolarHBondContact OG-OD1 3.25Å
230	K	97.8	Very high	98.3	Very high	47 Å²	47	28.1 Å²	28.1	20%	0.204	15%	0.145	C	C	.	.			trans	-109.3	149.1	-179	-57.3	178.2	-166.2	-178.7	0	111.2	P174 P175 W176 D180 S227	P174-K230 HydrophobicContact CG-CB 4.26Å; P174-K230 HydrophobicContact CG-CG 4.45Å; P175-K230 PolarHBondContact O-NZ 3.04Å; W176-K230 HydrophobicContact CE3-CB 4.29Å; W176-K230 HydrophobicContact CE3-CD 4.19Å; W176-K230 HydrophobicContact CH2-CB 3.74Å; W176-K230 HydrophobicContact CZ3-CB 3.47Å; W176-K230 VanDerWaalsContact CZ3-CB 3.47Å; W176-K230 HydrophobicContact CZ3-CD 4.18Å; W176-K230 HydrophobicContact CZ3-CG 4.45Å; D180-K230 VanDerWaalsContact CG-NZ 3.26Å; D180-K230 IonicContact OD1-NZ 2.63Å; D180-K230 PolarHBondContact OD1-NZ 2.97Å; D180-K230 IonicContact OD2-NZ 3.04Å; D180-K230 PolarHBondContact OD2-NZ 2.94Å; S227-K230 WeakPolarHBondContact OG-CB 3.19Å; S227-K230 WeakPolarHBondContact OG-CD 3.48Å; S227-K230 VanDerWaalsContact OG-CG 3.24Å; S227-K230 WeakPolarHBondContact OG-CG 3.42Å
231	C	97.6	Very high	98.2	Very high	32 Å²	32	27.9 Å²	27.9	22%	0.216	15%	0.145	C	C	.	.			trans	-113	122.1	174.1	-179.9	0	0	0	0	109.6	P174 L233	P174-C231 WeakPolarHBondContact CD-O 3.47Å; C231-L233 PolarHBondContact O-N 2.86Å
232	R	98.7	Very high	97.9	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.011	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	97.4	172.7	177.9	-170.6	-176.3	-90.7	13.5	108.6	Y148 V173 W176 G182 V222 V225	Y148-R232 PolarHBondContact N-O 3.39Å; Y148-R232 PolarHBondContact O-N 3.08Å; V173-R232 HydrophobicContact CG1-CB 4.39Å; V173-R232 HydrophobicContact CG1-CG 3.96Å; W176-R232 HydrophobicContact CH2-CB 3.58Å; W176-R232 HydrophobicContact CZ2-CB 3.86Å; W176-R232 HydrophobicContact CZ3-CB 4.08Å; G182-R232 WeakPolarHBondContact O-CD 3.4Å; G182-R232 PolarHBondContact O-NE 3.24Å; G182-R232 PolarHBondContact O-NH2 3Å; V222-R232 VanDerWaalsContact CG1-CZ 3.48Å; V225-R232 HydrophobicContact CG2-CB 4.29Å
233	L	98.8	Very high	97.2	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.4	176.5	-169.1	75.7	0	0	0	111.3	Q82 L85 L86 F90 C145 K147 L172 C231	Q82-L233 HydrophobicContact CG-CD2 3.72Å; L85-L233 HydrophobicContact CB-CD2 4.26Å; L86-L233 HydrophobicContact CD2-CD1 4.15Å; L86-L233 HydrophobicContact CD2-CD2 3.98Å; L86-L233 HydrophobicContact CG-CD2 4.04Å; F90-L233 HydrophobicContact CZ-CD1 4.34Å; C145-L233 VanDerWaalsContact SG-CD1 3.57Å; K147-L233 HydrophobicContact CD-CD1 4.3Å; K147-L233 HydrophobicContact CG-CD1 3.48Å; K147-L233 VanDerWaalsContact CG-CD1 3.48Å; L172-L233 CarbonylContact C-O 3.45Å; L172-L233 HydrophobicContact CB-CD2 4.24Å; L172-L233 PolarHBondContact N-O 2.97Å; C231-L233 PolarHBondContact O-N 2.86Å
234	S	98.8	Very high	96.7	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.3	173.5	58.2	0	0	0	0	112.6	C145 A146 L170	C145-S234 WeakPolarHBondContact CA-O 3.27Å; A146-S234 PolarHBondContact N-O 3.38Å; A146-S234 PolarHBondContact O-N 3.08Å; L170-S234 VanDerWaalsContact O-CA 3.3Å; L170-S234 WeakPolarHBondContact O-CA 3.33Å
235	L	98.6	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.6	156.4	-75.9	175.7	0	0	0	108.5	L81 L85 L106 I117 I143 S144 C145 I169 L170	L81-L235 HydrophobicContact CD1-CD1 4.5Å; L81-L235 HydrophobicContact CD2-CD1 4.08Å; L85-L235 HydrophobicContact CD1-CD1 3.94Å; L85-L235 HydrophobicContact CD1-CD2 3.96Å; L85-L235 HydrophobicContact CD1-CG 3.72Å; L85-L235 HydrophobicContact CD2-CD2 3.7Å; L85-L235 HydrophobicContact CD2-CG 4.38Å; L106-L235 HydrophobicContact CD1-CD2 3.33Å; I117-L235 HydrophobicContact CG1-CD1 4.39Å; I117-L235 HydrophobicContact CG2-CD1 4.13Å; I143-L235 HydrophobicContact CD1-CB 4.39Å; I143-L235 HydrophobicContact CD1-CD1 4.32Å; I143-L235 HydrophobicContact CD1-CD2 4.21Å; I143-L235 HydrophobicContact CG1-CD2 4.28Å; S144-L235 WeakPolarHBondContact O-CA 3.38Å; C145-L235 HydrophobicContact CB-CD2 4.09Å; I169-L235 CarbonylContact C-O 3.58Å; I169-L235 WeakPolarHBondContact CA-O 3.44Å; L170-L235 HydrophobicContact CB-CB 4.31Å; L170-L235 HydrophobicContact CD2-CD1 4.48Å; L170-L235 PolarHBondContact N-O 3.32Å; L170-L235 PolarHBondContact O-N 2.98Å
236	S	98.1	Very high	95.7	Very high	24 Å²	24	47 Å²	47	17%	0.168	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.8	175.8	60.3	0	0	0	0	111.5	I143 S144 F168	I143-S236 WeakPolarHBondContact CA-O 3.44Å; S144-S236 PolarHBondContact N-O 3.48Å; S144-S236 PolarHBondContact O-N 2.98Å; F168-S236 VanDerWaalsContact O-CA 3.25Å; F168-S236 WeakPolarHBondContact O-CA 3.29Å; F168-S236 WeakPolarHBondContact O-CB 3.43Å
237	G	98.2	Very high	95.3	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-165.4	179	0	0	0	0	0	112.1	D142 F168	D142-G237 VanDerWaalsContact O-CA 3.3Å; D142-G237 WeakPolarHBondContact O-CA 3.39Å; F168-G237 VanDerWaalsContact CD1-O 3.25Å; F168-G237 WeakPolarHBondContact CD1-O 3.46Å; F168-G237 PolarHBondContact N-O 2.75Å; F168-G237 PolarHBondContact O-N 3.37Å; F168-G237 VanDerWaalsContact O-N 3.13Å
238	W	98.5	Very high	94.9	Very high	38 Å²	38	52.3 Å²	52.3	14%	0.144	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.4	-174.2	-60	-87.3	0	0	0	112.1	D142 D159 R164 A166	D142-W238 PolarHBondContact O-N 3.17Å; D159-W238 WeakPolarHBondContact OD1-CZ2 3.27Å; D159-W238 PolarHBondContact OD2-NE1 2.79Å; R164-W238 HydrophobicContact CB-CB 4.36Å; R164-W238 HydrophobicContact CB-CG 4.27Å; R164-W238 HydrophobicContact CG-CB 3.92Å; R164-W238 HydrophobicContact CG-CD2 4.29Å; R164-W238 HydrophobicContact CG-CG 3.77Å; R164-W238 VanDerWaalsContact CZ-CE2 3.47Å; R164-W238 VanDerWaalsContact CZ-CZ2 3.45Å; R164-W238 VanDerWaalsContact NE-CD2 3.34Å; R164-W238 VanDerWaalsContact NH1-CZ2 3.26Å; R164-W238 VanDerWaalsContact NH2-CH2 3.29Å; A166-W238 CarbonylContact O-C 3.57Å; A166-W238 VanDerWaalsContact O-CA 3.29Å; A166-W238 WeakPolarHBondContact O-CA 3.46Å
239	F	98.5	Very high	94.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.5	159.8	-61.8	-74.2	0	0	0	108.8	L121 F122 F125 R126 L129 L137 R165 A166 F168 L211	L121-F239 HydrophobicContact CB-CZ 4.43Å; L121-F239 WeakPolarHBondContact O-CE1 3.25Å; F122-F239 HydrophobicContact CD1-CD1 4.05Å; F122-F239 AromaticContact CD1-CE1 3.92Å; F122-F239 HydrophobicContact CD1-CE1 3.92Å; F122-F239 HydrophobicContact CE1-CD1 4.06Å; F122-F239 HydrophobicContact CE1-CE1 4Å; F122-F239 HydrophobicContact CG-CE1 4.47Å; F125-F239 HydrophobicContact CD1-CE2 4.07Å; F125-F239 AromaticContact CD1-CZ 3.7Å; F125-F239 HydrophobicContact CD1-CZ 3.7Å; F125-F239 HydrophobicContact CE1-CE2 4.02Å; F125-F239 HydrophobicContact CE1-CZ 4.12Å; R126-F239 HydrophobicContact CB-CD1 3.97Å; R126-F239 HydrophobicContact CB-CE1 3.92Å; R126-F239 HydrophobicContact CG-CD1 3.97Å; R126-F239 HydrophobicContact CG-CE1 4.44Å; L129-F239 HydrophobicContact CD2-CB 4.36Å; L129-F239 HydrophobicContact CD2-CD2 3.42Å; L129-F239 VanDerWaalsContact CD2-CD2 3.42Å; L129-F239 HydrophobicContact CD2-CE2 3.92Å; L129-F239 HydrophobicContact CD2-CG 3.96Å; L137-F239 HydrophobicContact CD1-CB 4.01Å; L137-F239 HydrophobicContact CD1-CG 4.45Å; L137-F239 HydrophobicContact CD2-CB 4.39Å; R165-F239 PolarHBondContact N-O 3.25Å; A166-F239 HydrophobicContact CB-CB 4.43Å; A166-F239 HydrophobicContact CB-CD2 4.36Å; A166-F239 PolarHBondContact N-O 3.23Å; A166-F239 PolarHBondContact O-N 3.47Å; F168-F239 HydrophobicContact CB-CE2 4.19Å; F168-F239 AromaticContact CD1-CD2 3.94Å; F168-F239 HydrophobicContact CD1-CD2 3.94Å; F168-F239 AromaticContact CD1-CE2 3.45Å; F168-F239 HydrophobicContact CD1-CE2 3.45Å; F168-F239 VanDerWaalsContact CD1-CE2 3.45Å; F168-F239 AromaticContact CD1-CZ 3.92Å; F168-F239 HydrophobicContact CD1-CZ 3.92Å; F168-F239 HydrophobicContact CE1-CE2 4.13Å; F168-F239 HydrophobicContact CE1-CZ 4.18Å; F168-F239 HydrophobicContact CG-CE2 4.01Å; L211-F239 HydrophobicContact CD1-CD2 4.27Å; L211-F239 HydrophobicContact CD1-CE2 4.21Å
240	H	98.3	Very high	94	Very high	22 Å²	22	48.7 Å²	48.7	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	153.4	-178.2	-71.7	-103.9	0	0	0	111.5	L137 E138 D142 G163	L137-H240 CarbonylContact C-O 3.58Å; L137-H240 VanDerWaalsContact CA-O 3.28Å; L137-H240 WeakPolarHBondContact CA-O 3.44Å; L137-H240 WeakPolarHBondContact CD2-O 3.37Å; E138-H240 HydrophobicContact CB-CB 4.04Å; E138-H240 HydrophobicContact CG-CB 4.45Å; E138-H240 PolarHBondContact N-O 2.65Å; D142-H240 WeakPolarHBondContact CB-NE2 3.45Å; D142-H240 IonicContact OD2-CD2 2.7Å; D142-H240 IonicContact OD2-CE1 2.84Å; D142-H240 IonicContact OD2-NE2 2.73Å; D142-H240 PolarHBondContact OD2-NE2 2.91Å; G163-H240 CarbonylContact O-C 3.59Å; G163-H240 WeakPolarHBondContact O-CA 3.46Å
241	G	97	Very high	93.5	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.021	28%	0.277	C	S	.	.			trans	178.1	-173.4	179.8	0	0	0	0	0	112	G163 S243	G163-G241 PolarHBondContact O-N 2.77Å; G163-G241 VanDerWaalsContact O-O 3.11Å; G241-S243 PolarHBondContact O-N 3.08Å
242	P	94.1	Very high	93	Very high	77 Å²	77	55.1 Å²	55.1	50%	0.5	28%	0.278	S	S	.	.	S	Bend	trans	-57.6	123.1	179.1	-22.8	32	0	0	0	111.6	V135 E136 R165	V135-P242 HydrophobicContact CG2-CG 3.96Å; E136-P242 WeakPolarHBondContact O-CD 3.36Å; R165-P242 WeakPolarHBondContact CD-O 3.38Å; R165-P242 WeakPolarHBondContact CG-O 3.46Å; R165-P242 PolarHBondContact NH1-O 2.97Å
243	S	83.9	Confident	92.5	Very high	65 Å²	65	60.4 Å²	60.4	46%	0.455	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-56	144.7	178.8	-59.2	0	0	0	0	112.1	G163 G241	G163-S243 PolarHBondContact N-OG 3.12Å; G241-S243 PolarHBondContact O-N 3.08Å
244	L	87.3	Confident	91.9	Very high	59 Å²	59	65.1 Å²	65.1	31%	0.309	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-75.3	147.4	169.1	-70.7	179.1	0	0	0	110.5	R165 E213 V214 R246	R165-L244 VanDerWaalsContact CZ-CD2 3.4Å; E213-L244 HydrophobicContact CG-CD1 4.26Å; V214-L244 WeakPolarHBondContact O-CD1 3.32Å; L244-R246 PolarHBondContact O-N 2.81Å
245	E	88.6	Confident	91.5	Very high	189 Å²	189	71 Å²	71	88%	0.883	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-64.4	129.8	169.3	-170.8	176.5	-178.1	0	0	109.4
246	R	88.1	Confident	91.1	Very high	69 Å²	69	76.9 Å²	76.9	26%	0.26	41%	0.407	S	S	.	.			trans	-107.1	139.8	-179.9	-62.3	-164.1	159.9	-115.2	-2.8	110.3	D158 E160 P216 L244	D158-R246 IonicContact OD2-CZ 3.95Å; D158-R246 IonicContact OD2-NH1 2.74Å; D158-R246 PolarHBondContact OD2-NH1 2.84Å; D158-R246 IonicContact OD2-NH2 3.42Å; E160-R246 VanDerWaalsContact CB-CZ 3.46Å; E160-R246 VanDerWaalsContact CB-NH2 3.34Å; E160-R246 VanDerWaalsContact CD-NE 3.33Å; E160-R246 WeakPolarHBondContact OE1-CD 3.45Å; E160-R246 IonicContact OE1-CZ 3.08Å; E160-R246 IonicContact OE1-NE 2.81Å; E160-R246 PolarHBondContact OE1-NE 2.95Å; E160-R246 IonicContact OE1-NH1 3.12Å; E160-R246 IonicContact OE2-CZ 2.7Å; E160-R246 IonicContact OE2-NE 3.53Å; E160-R246 IonicContact OE2-NH1 2.88Å; E160-R246 PolarHBondContact OE2-NH1 3.41Å; P216-R246 HydrophobicContact CG-CB 4.33Å; P216-R246 HydrophobicContact CG-CG 4.05Å; L244-R246 PolarHBondContact O-N 2.81Å
247	P	90.1	Very high	90.9	Very high	51 Å²	51	79.9 Å²	79.9	33%	0.331	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-65.1	159.1	173	29.7	-34.2	0	0	0	110.4	F193 P216 R249	F193-P247 HydrophobicContact CD2-CG 4.32Å; F193-P247 HydrophobicContact CG-CG 4.34Å; P216-P247 HydrophobicContact CB-CG 4.16Å; P216-P247 HydrophobicContact CG-CG 4.49Å; P247-R249 PolarHBondContact O-N 2.79Å
248	P	88.9	Confident	90.7	Very high	127 Å²	127	83.1 Å²	83.1	83%	0.825	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-54.1	137.6	170.2	-23.4	33.5	0	0	0	110.8	F250	P248-F250 PolarHBondContact O-N 3.14Å
249	R	85.7	Confident	90.5	Very high	143 Å²	143	85.2 Å²	85.2	54%	0.54	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-58.7	133.8	179.4	-70.8	-178.8	175.6	179.1	-11	110.9	P247 K251 D438	P247-R249 PolarHBondContact O-N 2.79Å; R249-K251 PolarHBondContact O-N 2.82Å; R249-D438 IonicContact CZ-OD2 3.61Å; R249-D438 VanDerWaalsContact NH1-CG 3.28Å; R249-D438 IonicContact NH1-OD2 3.91Å; R249-D438 PolarHBondContact NH1-OD2 3.11Å; R249-D438 IonicContact NH2-OD2 2.95Å; R249-D438 PolarHBondContact NH2-OD2 3.11Å
250	F	88.1	Confident	90.3	Very high	68 Å²	68	87.2 Å²	87.2	30%	0.298	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-65.9	128.4	175.2	179.3	-106.3	0	0	0	110.6	N192 Q194 P248 E252	N192-F250 HydrophobicContact CB-CD2 3.68Å; N192-F250 HydrophobicContact CB-CE2 3.86Å; N192-F250 HydrophobicContact CB-CG 4.12Å; N192-F250 HydrophobicContact CB-CZ 4.44Å; Q194-F250 HydrophobicContact CG-CB 4.42Å; Q194-F250 HydrophobicContact CG-CD1 3.95Å; Q194-F250 HydrophobicContact CG-CG 4.32Å; P248-F250 PolarHBondContact O-N 3.14Å; F250-E252 HydrophobicContact CD1-CG 4.22Å; F250-E252 HydrophobicContact CE1-CG 3.75Å
251	K	87.3	Confident	90.1	Very high	164 Å²	164	88.5 Å²	88.5	71%	0.713	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-101.1	117.7	174.8	-65.7	-173.9	178.9	-173.4	0	109	R249	R249-K251 PolarHBondContact O-N 2.82Å
252	E	88.3	Confident	89.9	Confident	50 Å²	50	93.6 Å²	93.6	23%	0.234	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-66.5	147.5	173.8	-80	178.4	122.4	0	0	110.8	F250 S254 K328 R329	F250-E252 HydrophobicContact CD1-CG 4.22Å; F250-E252 HydrophobicContact CE1-CG 3.75Å; E252-S254 PolarHBondContact O-N 3.14Å; E252-K328 IonicContact OE1-NZ 2.94Å; E252-K328 WeakPolarHBondContact OE2-CD 3.29Å; E252-K328 IonicContact OE2-NZ 2.65Å; E252-K328 PolarHBondContact OE2-NZ 3.42Å; E252-R329 IonicContact OE1-CZ 3.87Å; E252-R329 IonicContact OE1-NH1 3.19Å; E252-R329 PolarHBondContact OE1-NH1 3.39Å; E252-R329 IonicContact OE1-NH2 3.49Å; E252-R329 IonicContact OE2-CZ 3.63Å; E252-R329 IonicContact OE2-NH1 3.34Å; E252-R329 PolarHBondContact OE2-NH1 2.87Å; E252-R329 IonicContact OE2-NH2 3.72Å; E252-R329 PolarHBondContact OE2-NH2 3.34Å; E252-R329 VanDerWaalsContact OE2-NH2 3.08Å
253	P	88.2	Confident	89.9	Confident	113 Å²	113	95.9 Å²	95.9	73%	0.734	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-57.7	134.6	169.6	-21.5	32.7	0	0	0	110.6
254	S	86.3	Confident	90.2	Very high	102 Å²	102	97.5 Å²	97.5	71%	0.713	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-59.1	141.9	174.7	-53.5	0	0	0	0	110.9	E252 L256	E252-S254 PolarHBondContact O-N 3.14Å; S254-L256 PolarHBondContact O-N 2.69Å
255	I	88.5	Confident	90.4	Very high	125 Å²	125	100.5 Å²	100.5	64%	0.641	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-63.8	132.9	176.5	-60.7	172.8	0	0	0	108.9	K257 C422	I255-K257 PolarHBondContact O-N 2.86Å; I255-C422 HydrophobicContact CG2-CB 3.73Å
256	L	91.5	Very high	90.8	Very high	125 Å²	125	95.1 Å²	95.1	65%	0.654	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-68.3	124.1	177	-176.7	63.3	0	0	0	109.7	S254 H258	S254-L256 PolarHBondContact O-N 2.69Å; L256-H258 VanDerWaalsContact CD2-CE1 3.47Å; L256-H258 WeakPolarHBondContact CD2-CE1 3.42Å
257	K	94.1	Very high	91.1	Very high	86 Å²	86	92.7 Å²	92.7	37%	0.374	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-99	146.2	176.7	-56.4	-179.1	179.5	-177.7	0	110.3	I255 V420 C421 E445	I255-K257 PolarHBondContact O-N 2.86Å; K257-V420 HydrophobicContact CB-CB 3.88Å; K257-V420 HydrophobicContact CB-CG2 3.76Å; K257-V420 HydrophobicContact CD-CG2 3.7Å; K257-V420 HydrophobicContact CG-CG2 4.32Å; K257-C421 WeakPolarHBondContact CA-O 3.43Å; K257-E445 WeakPolarHBondContact CE-OE1 3.44Å; K257-E445 IonicContact NZ-OE1 3.9Å; K257-E445 PolarHBondContact NZ-OE1 2.92Å; K257-E445 IonicContact NZ-OE2 3.63Å; K257-E445 PolarHBondContact NZ-OE2 2.48Å
258	H	93.5	Very high	91.5	Very high	71 Å²	71	91 Å²	91	33%	0.329	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-125.6	144.1	-177.6	-61.6	-75.3	0	0	0	110.9	L256 V420 C421	L256-H258 VanDerWaalsContact CD2-CE1 3.47Å; L256-H258 WeakPolarHBondContact CD2-CE1 3.42Å; H258-V420 CarbonylContact O-C 3.55Å; H258-V420 WeakPolarHBondContact O-CA 3.29Å; H258-V420 WeakPolarHBondContact O-CB 3.32Å; H258-C421 PolarHBondContact N-O 3.33Å; H258-C421 PolarHBondContact O-N 3.18Å
259	P	94.6	Very high	91.9	Very high	81 Å²	81	90.1 Å²	90.1	53%	0.526	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-66.4	169	167.6	31.9	-35.7	0	0	0	110.6
260	H	94.2	Very high	92.4	Very high	42 Å²	42	88.5 Å²	88.5	19%	0.194	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-59.5	154.7	172.6	57.6	-114.3	0	0	0	112.4	R351 E353 F356	H260-R351 CarbonylContact C-O 3.55Å; H260-R351 VanDerWaalsContact CA-O 3.32Å; H260-R351 WeakPolarHBondContact CA-O 3.29Å; H260-E353 HydrophobicContact CB-CB 4.31Å; H260-F356 HydrophobicContact CB-CD1 4.13Å; H260-F356 HydrophobicContact CB-CD2 3.81Å; H260-F356 HydrophobicContact CB-CE1 4.18Å; H260-F356 HydrophobicContact CB-CE2 3.86Å; H260-F356 HydrophobicContact CB-CG 3.93Å; H260-F356 HydrophobicContact CB-CZ 4.03Å
261	L	94.3	Very high	92.9	Very high	50 Å²	50	85.5 Å²	85.5	26%	0.262	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-85.1	133.2	171	-63.5	175.9	0	0	0	109.6	R263 E348 R351 S352 E353	L261-R263 HydrophobicContact CB-CG 4.39Å; L261-R263 PolarHBondContact O-N 2.92Å; L261-E348 HydrophobicContact CD1-CB 4.4Å; L261-E348 HydrophobicContact CD1-CG 4.13Å; L261-R351 HydrophobicContact CD1-CB 3.99Å; L261-R351 HydrophobicContact CG-CB 4.21Å; L261-R351 PolarHBondContact N-O 3.34Å; L261-S352 CarbonylContact O-C 3.3Å; L261-E353 WeakPolarHBondContact O-CB 3.24Å; L261-E353 PolarHBondContact O-N 3.41Å
262	P	93.1	Very high	93.5	Very high	108 Å²	108	77.7 Å²	77.7	70%	0.701	41%	0.409	S	S	*	.			trans	-72.1	91.3	-177.7	30.1	-34.4	0	0	0	110.3
263	R	93.3	Very high	94	Very high	125 Å²	125	77.3 Å²	77.3	47%	0.472	41%	0.409	S	S	.	.			trans	-135.1	132.8	179.1	-62.1	-65.4	-165.2	-176.7	3.7	107.8	L261 E348 A354	L261-R263 HydrophobicContact CB-CG 4.39Å; L261-R263 PolarHBondContact O-N 2.92Å; R263-E348 IonicContact CZ-OE2 2.81Å; R263-E348 IonicContact NE-OE2 2.67Å; R263-E348 PolarHBondContact NE-OE2 3.33Å; R263-E348 IonicContact NH2-OE1 3.47Å; R263-E348 IonicContact NH2-OE2 3.69Å; R263-E348 PolarHBondContact NH2-OE2 2.84Å; R263-A354 PolarHBondContact O-N 2.87Å
264	D	90.8	Very high	94.4	Very high	100 Å²	100	76 Å²	76	54%	0.535	40%	0.4	S	S	.	.			trans	-80	178.2	-179	65.7	35.6	0	0	0	112.4	T266 V267	D264-T266 PolarHBondContact O-N 2.93Å; D264-T266 WeakPolarHBondContact OD1-CB 3.2Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.42Å; D264-T266 PolarHBondContact OD1-N 3.47Å; D264-T266 PolarHBondContact OD1-OG1 2.95Å; D264-V267 WeakPolarHBondContact O-CG1 3.08Å; D264-V267 PolarHBondContact O-N 2.78Å
265	E	92.1	Very high	95	Very high	122 Å²	122	74.8 Å²	74.8	57%	0.57	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.5	-177.8	58.4	179.1	-168.5	0	0	115.1	V267 L268 F269	E265-V267 PolarHBondContact O-N 2.79Å; E265-L268 WeakPolarHBondContact O-CB 3.22Å; E265-L268 PolarHBondContact O-N 2.93Å; E265-F269 HydrophobicContact CB-CE2 4.03Å; E265-F269 HydrophobicContact CG-CD2 4.46Å; E265-F269 HydrophobicContact CG-CE2 3.73Å; E265-F269 HydrophobicContact CG-CZ 4.48Å; E265-F269 VanDerWaalsContact O-CD2 3.31Å; E265-F269 WeakPolarHBondContact O-CD2 3.39Å; E265-F269 PolarHBondContact O-N 3.32Å
266	T	95	Very high	95.5	Very high	75 Å²	75	69.4 Å²	69.4	46%	0.46	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-34.4	178.1	62.1	0	0	0	0	112	D264 L268 F269 E270	D264-T266 PolarHBondContact O-N 2.93Å; D264-T266 WeakPolarHBondContact OD1-CB 3.2Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.42Å; D264-T266 PolarHBondContact OD1-N 3.47Å; D264-T266 PolarHBondContact OD1-OG1 2.95Å; T266-L268 VanDerWaalsContact C-N 3.28Å; T266-L268 PolarHBondContact O-N 2.76Å; T266-F269 PolarHBondContact O-N 2.92Å; T266-E270 WeakPolarHBondContact O-CG 3.2Å; T266-E270 PolarHBondContact O-N 3.17Å
267	V	95.8	Very high	95.8	Very high	18 Å²	18	65.2 Å²	65.2	11%	0.109	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-33.7	175.9	76.5	0	0	0	0	111.9	D264 E265 W271 L349 A354	D264-V267 WeakPolarHBondContact O-CG1 3.08Å; D264-V267 PolarHBondContact O-N 2.78Å; E265-V267 PolarHBondContact O-N 2.79Å; V267-W271 VanDerWaalsContact O-CD1 3.24Å; V267-W271 PolarHBondContact O-N 2.88Å; V267-L349 HydrophobicContact CG1-CD1 4.08Å; V267-L349 HydrophobicContact CG2-CB 4.12Å; V267-L349 HydrophobicContact CG2-CD1 4Å; V267-A354 HydrophobicContact CG1-CB 4.35Å
268	L	97.5	Very high	96	Very high	15 Å²	15	64.7 Å²	64.7	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-69.1	-47.2	176.3	-58.3	-178	0	0	0	110.4	E265 T266 E270 W271 V272 L277 L349 A354 F355 L358	E265-L268 WeakPolarHBondContact O-CB 3.22Å; E265-L268 PolarHBondContact O-N 2.93Å; T266-L268 VanDerWaalsContact C-N 3.28Å; T266-L268 PolarHBondContact O-N 2.76Å; L268-E270 PolarHBondContact O-N 2.83Å; L268-W271 PolarHBondContact O-N 2.65Å; L268-V272 HydrophobicContact CB-CG2 4.48Å; L268-V272 HydrophobicContact CD2-CG2 4.13Å; L268-V272 WeakPolarHBondContact O-CB 3.35Å; L268-V272 PolarHBondContact O-N 3.31Å; L268-L277 HydrophobicContact CB-CD1 4.45Å; L268-L277 HydrophobicContact CB-CD2 4.05Å; L268-L277 HydrophobicContact CD1-CD2 4.39Å; L268-L349 HydrophobicContact CD2-CD1 3.8Å; L268-A354 HydrophobicContact CD1-CB 3.9Å; L268-A354 HydrophobicContact CD2-CB 4.38Å; L268-A354 HydrophobicContact CG-CB 3.89Å; L268-F355 HydrophobicContact CD2-CB 4.26Å; L268-F355 HydrophobicContact CD2-CD2 4Å; L268-L358 HydrophobicContact CD1-CB 4.33Å; L268-L358 HydrophobicContact CD1-CD2 4.48Å; L268-L358 HydrophobicContact CD2-CD2 4.15Å
269	F	97.6	Very high	96.1	Very high	110 Å²	110	66.9 Å²	66.9	48%	0.482	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-25.9	179.2	-63.2	-52	0	0	0	113.2	E265 T266 L277 K302	E265-F269 HydrophobicContact CB-CE2 4.03Å; E265-F269 HydrophobicContact CG-CD2 4.46Å; E265-F269 HydrophobicContact CG-CE2 3.73Å; E265-F269 HydrophobicContact CG-CZ 4.48Å; E265-F269 VanDerWaalsContact O-CD2 3.31Å; E265-F269 WeakPolarHBondContact O-CD2 3.39Å; E265-F269 PolarHBondContact O-N 3.32Å; T266-F269 PolarHBondContact O-N 2.92Å; F269-L277 HydrophobicContact CD1-CD1 3.59Å; F269-L277 HydrophobicContact CE1-CD1 3.97Å; F269-K302 WeakPolarHBondContact O-CE 3.26Å; F269-K302 PolarHBondContact O-NZ 3.35Å
270	E	97.3	Very high	96.2	Very high	109 Å²	109	66.1 Å²	66.1	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-76.7	-39.3	175.9	-76.1	-179.5	-174.1	0	0	112.4	T266 L268 K302	T266-E270 WeakPolarHBondContact O-CG 3.2Å; T266-E270 PolarHBondContact O-N 3.17Å; L268-E270 PolarHBondContact O-N 2.83Å; E270-K302 WeakPolarHBondContact O-CD 3.49Å; E270-K302 WeakPolarHBondContact O-CE 3.34Å; E270-K302 PolarHBondContact O-NZ 2.82Å
271	W	98.6	Very high	96.4	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-109.9	-39	-165	-73.4	82.3	0	0	0	115.9	V267 L268 L301 K302 K305 V309 C342 V345 C346 L349	V267-W271 VanDerWaalsContact O-CD1 3.24Å; V267-W271 PolarHBondContact O-N 2.88Å; L268-W271 PolarHBondContact O-N 2.65Å; W271-L301 WeakPolarHBondContact O-CA 3.41Å; W271-K302 PolarHBondContact O-N 2.9Å; W271-K305 HydrophobicContact CD2-CB 4.48Å; W271-K305 HydrophobicContact CD2-CD 4.14Å; W271-K305 HydrophobicContact CD2-CG 4.19Å; W271-K305 HydrophobicContact CE3-CB 3.73Å; W271-K305 HydrophobicContact CE3-CD 4.01Å; W271-K305 HydrophobicContact CE3-CG 3.93Å; W271-K305 HydrophobicContact CH2-CD 4.07Å; W271-K305 HydrophobicContact CZ2-CD 4.19Å; W271-K305 HydrophobicContact CZ3-CB 3.9Å; W271-K305 HydrophobicContact CZ3-CD 3.98Å; W271-K305 HydrophobicContact CZ3-CG 4.27Å; W271-V309 HydrophobicContact CH2-CG2 4.17Å; W271-V309 HydrophobicContact CZ3-CG2 3.76Å; W271-C342 WeakPolarHBondContact CH2-O 3.45Å; W271-V345 HydrophobicContact CH2-CB 4.42Å; W271-V345 HydrophobicContact CH2-CG1 4.48Å; W271-V345 HydrophobicContact CZ2-CB 3.77Å; W271-V345 HydrophobicContact CZ2-CG1 3.42Å; W271-V345 VanDerWaalsContact CZ2-CG1 3.42Å; W271-C346 HydrophobicContact CE3-CB 4.29Å; W271-C346 HydrophobicContact CH2-CB 3.91Å; W271-C346 HydrophobicContact CZ3-CB 3.63Å; W271-L349 HydrophobicContact CB-CD1 4.26Å; W271-L349 HydrophobicContact CB-CD2 3.48Å; W271-L349 VanDerWaalsContact CB-CD2 3.48Å; W271-L349 HydrophobicContact CB-CG 4.42Å; W271-L349 HydrophobicContact CD2-CD2 4.25Å; W271-L349 HydrophobicContact CE3-CD2 4.38Å; W271-L349 HydrophobicContact CG-CD2 3.89Å
272	V	98.6	Very high	96.6	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-84.9	142.3	-171.3	-178.2	0	0	0	0	109.7	L268 L277 F300 K302 L349 L358	L268-V272 HydrophobicContact CB-CG2 4.48Å; L268-V272 HydrophobicContact CD2-CG2 4.13Å; L268-V272 WeakPolarHBondContact O-CB 3.35Å; L268-V272 PolarHBondContact O-N 3.31Å; V272-L277 HydrophobicContact CB-CD2 4.18Å; V272-L277 HydrophobicContact CB-CG 4.48Å; V272-L277 HydrophobicContact CG1-CD2 3.99Å; V272-L277 HydrophobicContact CG1-CG 4.3Å; V272-F300 HydrophobicContact CG1-CE1 4.39Å; V272-F300 HydrophobicContact CG1-CE2 4.09Å; V272-F300 HydrophobicContact CG1-CZ 3.9Å; V272-F300 HydrophobicContact CG2-CE1 4.16Å; V272-F300 HydrophobicContact CG2-CZ 4.15Å; V272-K302 WeakPolarHBondContact O-CE 3.31Å; V272-L349 HydrophobicContact CG2-CD1 4.32Å; V272-L358 HydrophobicContact CG1-CD2 4.5Å
273	N	98.6	Very high	96.8	Very high	43 Å²	43	66.5 Å²	66.5	23%	0.23	34%	0.335	C	S	.	.			trans	-58	124.7	172.5	178.4	-17.3	0	0	0	109.7	L275 Y276 D299 F300	N273-L275 PolarHBondContact O-N 3.21Å; N273-L275 WeakPolarHBondContact OD1-CB 3.18Å; N273-L275 PolarHBondContact OD1-N 3.33Å; N273-Y276 HydrophobicContact CB-CD2 3.91Å; N273-Y276 HydrophobicContact CB-CE2 4.29Å; N273-Y276 PolarHBondContact O-N 2.98Å; N273-D299 WeakPolarHBondContact CB-O 3.43Å; N273-D299 PolarHBondContact ND2-O 2.89Å; N273-F300 WeakPolarHBondContact CB-O 3.27Å; N273-F300 PolarHBondContact N-O 3.26Å
274	P	98.3	Very high	97	Very high	85 Å²	85	65.9 Å²	65.9	55%	0.552	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-55.7	-23.7	-174.5	-28.2	35.4	0	0	0	115.2	Y276 L277 D278	P274-Y276 PolarHBondContact O-N 3.04Å; P274-L277 PolarHBondContact O-N 3.29Å; P274-L277 VanDerWaalsContact O-N 3.11Å; P274-D278 PolarHBondContact O-N 3.16Å
275	L	98	Very high	97.4	Very high	77 Å²	77	61.3 Å²	61.3	40%	0.403	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-54.4	-42	173.6	177	63.5	0	0	0	111.7	N273 L277 D278 Y281	N273-L275 PolarHBondContact O-N 3.21Å; N273-L275 WeakPolarHBondContact OD1-CB 3.18Å; N273-L275 PolarHBondContact OD1-N 3.33Å; L275-L277 PolarHBondContact O-N 3.32Å; L275-D278 PolarHBondContact O-N 2.81Å; L275-Y281 HydrophobicContact CD1-CD1 3.81Å; L275-Y281 HydrophobicContact CD1-CD2 4.33Å; L275-Y281 HydrophobicContact CD1-CE1 3.91Å; L275-Y281 HydrophobicContact CD1-CE2 4.47Å; L275-Y281 HydrophobicContact CD1-CG 4.02Å; L275-Y281 HydrophobicContact CD2-CD1 4.35Å; L275-Y281 HydrophobicContact CD2-CE1 3.68Å; L275-Y281 HydrophobicContact CG-CD1 3.62Å; L275-Y281 HydrophobicContact CG-CE1 3.46Å; L275-Y281 VanDerWaalsContact CG-CE1 3.46Å; L275-Y281 HydrophobicContact CG-CG 4.34Å; L275-Y281 WeakPolarHBondContact O-CD1 3.49Å
276	Y	98.4	Very high	97.6	Very high	11 Å²	11	58.1 Å²	58.1	4%	0.043	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-78.7	-5.1	-178.3	-65.6	-55.5	0	0	0	114	N273 P274 Y281 Q282 I285 L297 K298 F300	N273-Y276 HydrophobicContact CB-CD2 3.91Å; N273-Y276 HydrophobicContact CB-CE2 4.29Å; N273-Y276 PolarHBondContact O-N 2.98Å; P274-Y276 PolarHBondContact O-N 3.04Å; Y276-Y281 HydrophobicContact CD1-CD1 4.04Å; Y276-Y281 AromaticContact CD1-CE1 3.78Å; Y276-Y281 HydrophobicContact CD1-CE1 3.78Å; Y276-Y281 HydrophobicContact CE1-CD1 4.3Å; Y276-Y281 AromaticContact CE1-CE1 3.56Å; Y276-Y281 HydrophobicContact CE1-CE1 3.56Å; Y276-Q282 PolarHBondContact O-NE2 3.33Å; Y276-I285 HydrophobicContact CD1-CD1 3.62Å; Y276-I285 HydrophobicContact CE1-CD1 3.94Å; Y276-L297 HydrophobicContact CD1-CD1 4.17Å; Y276-L297 HydrophobicContact CE1-CB 3.82Å; Y276-L297 HydrophobicContact CE1-CD1 4.12Å; Y276-L297 HydrophobicContact CE1-CD2 3.83Å; Y276-L297 HydrophobicContact CE1-CG 4.14Å; Y276-L297 HydrophobicContact CE2-CB 4.29Å; Y276-K298 WeakPolarHBondContact CE2-O 3.49Å; Y276-K298 PolarHBondContact OH-N 3.27Å; Y276-K298 PolarHBondContact OH-O 3.29Å; Y276-F300 AromaticContact CD2-CD2 3.7Å; Y276-F300 HydrophobicContact CD2-CD2 3.7Å; Y276-F300 HydrophobicContact CD2-CE2 4.17Å; Y276-F300 HydrophobicContact CE2-CB 4.48Å; Y276-F300 HydrophobicContact CE2-CD2 4.03Å; Y276-F300 HydrophobicContact CG-CD2 4.22Å; Y276-F300 HydrophobicContact CG-CE2 4.3Å
277	L	97.9	Very high	97.8	Very high	37 Å²	37	58.4 Å²	58.4	19%	0.194	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-99.1	-6.1	175.3	-54	-178.3	0	0	0	112.2	L268 F269 V272 P274 L275 L358	L268-L277 HydrophobicContact CB-CD1 4.45Å; L268-L277 HydrophobicContact CB-CD2 4.05Å; L268-L277 HydrophobicContact CD1-CD2 4.39Å; F269-L277 HydrophobicContact CD1-CD1 3.59Å; F269-L277 HydrophobicContact CE1-CD1 3.97Å; V272-L277 HydrophobicContact CB-CD2 4.18Å; V272-L277 HydrophobicContact CB-CG 4.48Å; V272-L277 HydrophobicContact CG1-CD2 3.99Å; V272-L277 HydrophobicContact CG1-CG 4.3Å; P274-L277 PolarHBondContact O-N 3.29Å; P274-L277 VanDerWaalsContact O-N 3.11Å; L275-L277 PolarHBondContact O-N 3.32Å; L277-L358 HydrophobicContact CD2-CD1 4.32Å; L277-L358 HydrophobicContact CD2-CD2 4.36Å
278	D	98	Very high	97.9	Very high	76 Å²	76	63 Å²	63	41%	0.406	32%	0.32	S	S	.	.			trans	-74.5	126.6	172.9	-177.2	-91.5	0	0	0	110.6	P274 L275 S280 Y281 Q282	P274-D278 PolarHBondContact O-N 3.16Å; L275-D278 PolarHBondContact O-N 2.81Å; D278-S280 VanDerWaalsContact C-N 3.34Å; D278-S280 PolarHBondContact O-N 3.42Å; D278-S280 WeakPolarHBondContact OD1-CA 3.25Å; D278-S280 WeakPolarHBondContact OD1-CB 3.2Å; D278-S280 PolarHBondContact OD1-N 2.96Å; D278-S280 PolarHBondContact OD1-OG 3.14Å; D278-Y281 PolarHBondContact O-N 2.76Å; D278-Y281 PolarHBondContact OD1-N 3.13Å; D278-Q282 WeakPolarHBondContact O-CG 3.48Å; D278-Q282 PolarHBondContact O-N 2.86Å
279	I	96.3	Very high	98	Very high	117 Å²	117	62.5 Å²	62.5	60%	0.6	32%	0.317	S	S	*	.	H	α-helix	trans	-63.2	-40.3	-175.5	-62.5	169.9	0	0	0	111.2	Y281 Q282 E283	I279-Y281 PolarHBondContact O-N 3.37Å; I279-Q282 WeakPolarHBondContact O-CB 3.2Å; I279-Q282 PolarHBondContact O-N 2.81Å; I279-E283 WeakPolarHBondContact O-CG 3.46Å; I279-E283 PolarHBondContact O-N 2.81Å
280	S	97.2	Very high	98	Very high	64 Å²	64	62.7 Å²	62.7	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-69.8	-26.6	-179.1	75.2	0	0	0	0	112.4	D278 Q284	D278-S280 VanDerWaalsContact C-N 3.34Å; D278-S280 PolarHBondContact O-N 3.42Å; D278-S280 WeakPolarHBondContact OD1-CA 3.25Å; D278-S280 WeakPolarHBondContact OD1-CB 3.2Å; D278-S280 PolarHBondContact OD1-N 2.96Å; D278-S280 PolarHBondContact OD1-OG 3.14Å; S280-Q284 WeakPolarHBondContact O-CG 3.45Å; S280-Q284 PolarHBondContact O-N 3.43Å; S280-Q284 PolarHBondContact O-NE2 3.03Å
281	Y	97.8	Very high	98	Very high	71 Å²	71	64.3 Å²	64.3	28%	0.278	33%	0.332	S	S	.	.	H	α-helix	trans	-79.9	-36	173.4	-160.5	-119.2	0	0	0	112	L275 Y276 D278 I279 E283 Q284 I285	L275-Y281 HydrophobicContact CD1-CD1 3.81Å; L275-Y281 HydrophobicContact CD1-CD2 4.33Å; L275-Y281 HydrophobicContact CD1-CE1 3.91Å; L275-Y281 HydrophobicContact CD1-CE2 4.47Å; L275-Y281 HydrophobicContact CD1-CG 4.02Å; L275-Y281 HydrophobicContact CD2-CD1 4.35Å; L275-Y281 HydrophobicContact CD2-CE1 3.68Å; L275-Y281 HydrophobicContact CG-CD1 3.62Å; L275-Y281 HydrophobicContact CG-CE1 3.46Å; L275-Y281 VanDerWaalsContact CG-CE1 3.46Å; L275-Y281 HydrophobicContact CG-CG 4.34Å; L275-Y281 WeakPolarHBondContact O-CD1 3.49Å; Y276-Y281 HydrophobicContact CD1-CD1 4.04Å; Y276-Y281 AromaticContact CD1-CE1 3.78Å; Y276-Y281 HydrophobicContact CD1-CE1 3.78Å; Y276-Y281 HydrophobicContact CE1-CD1 4.3Å; Y276-Y281 AromaticContact CE1-CE1 3.56Å; Y276-Y281 HydrophobicContact CE1-CE1 3.56Å; D278-Y281 PolarHBondContact O-N 2.76Å; D278-Y281 PolarHBondContact OD1-N 3.13Å; I279-Y281 PolarHBondContact O-N 3.37Å; Y281-E283 VanDerWaalsContact C-N 3.33Å; Y281-E283 PolarHBondContact O-N 2.92Å; Y281-Q284 WeakPolarHBondContact O-CB 3.1Å; Y281-Q284 PolarHBondContact O-N 2.82Å; Y281-I285 HydrophobicContact CD1-CD1 3.77Å; Y281-I285 HydrophobicContact CD1-CG1 4.49Å; Y281-I285 HydrophobicContact CE1-CD1 3.86Å; Y281-I285 HydrophobicContact CE1-CG1 4.42Å; Y281-I285 WeakPolarHBondContact O-CG1 3.43Å; Y281-I285 PolarHBondContact O-N 3.03Å
282	Q	98.1	Very high	97.9	Very high	17 Å²	17	66.8 Å²	66.8	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-58.2	-43.5	170.3	-74	173.2	18.6	0	0	111.9	Y276 D278 I279 Q284 I285 Q286 L358 N361 F362	Y276-Q282 PolarHBondContact O-NE2 3.33Å; D278-Q282 WeakPolarHBondContact O-CG 3.48Å; D278-Q282 PolarHBondContact O-N 2.86Å; I279-Q282 WeakPolarHBondContact O-CB 3.2Å; I279-Q282 PolarHBondContact O-N 2.81Å; Q282-Q284 VanDerWaalsContact C-N 3.3Å; Q282-Q284 PolarHBondContact O-N 2.89Å; Q282-I285 WeakPolarHBondContact O-CB 3.34Å; Q282-I285 PolarHBondContact O-N 3.09Å; Q282-Q286 WeakPolarHBondContact O-CB 3.42Å; Q282-Q286 PolarHBondContact O-N 2.93Å; Q282-L358 VanDerWaalsContact NE2-CD1 3.34Å; Q282-N361 PolarHBondContact OE1-ND2 2.83Å; Q282-F362 HydrophobicContact CG-CD1 4.06Å; Q282-F362 HydrophobicContact CG-CE1 3.72Å
283	E	96.9	Very high	97.9	Very high	120 Å²	120	69.2 Å²	69.2	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-60.7	-37.2	176.1	-72	172.8	-174.7	0	0	112.6	I279 Y281 T287	I279-E283 WeakPolarHBondContact O-CG 3.46Å; I279-E283 PolarHBondContact O-N 2.81Å; Y281-E283 VanDerWaalsContact C-N 3.33Å; Y281-E283 PolarHBondContact O-N 2.92Å; E283-T287 PolarHBondContact O-N 3.11Å; E283-T287 PolarHBondContact O-OG1 2.81Å
284	Q	98.1	Very high	97.9	Very high	112 Å²	112	70.1 Å²	70.1	52%	0.523	37%	0.369	S	S	.	.	H	α-helix	trans	-68	-45	175.3	-72.6	165.4	57.1	0	0	111.5	S280 Y281 Q282 Q286 T287 E288	S280-Q284 WeakPolarHBondContact O-CG 3.45Å; S280-Q284 PolarHBondContact O-N 3.43Å; S280-Q284 PolarHBondContact O-NE2 3.03Å; Y281-Q284 WeakPolarHBondContact O-CB 3.1Å; Y281-Q284 PolarHBondContact O-N 2.82Å; Q282-Q284 VanDerWaalsContact C-N 3.3Å; Q282-Q284 PolarHBondContact O-N 2.89Å; Q284-Q286 VanDerWaalsContact C-N 3.31Å; Q284-Q286 PolarHBondContact O-N 3.14Å; Q284-T287 PolarHBondContact O-N 2.86Å; Q284-E288 PolarHBondContact O-N 3.26Å
285	I	98.5	Very high	97.9	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-58.4	-45.6	175.6	-73.1	165.1	0	0	0	110.4	Y276 Y281 Q282 T287 E288 F289 I295 L297 F362	Y276-I285 HydrophobicContact CD1-CD1 3.62Å; Y276-I285 HydrophobicContact CE1-CD1 3.94Å; Y281-I285 HydrophobicContact CD1-CD1 3.77Å; Y281-I285 HydrophobicContact CD1-CG1 4.49Å; Y281-I285 HydrophobicContact CE1-CD1 3.86Å; Y281-I285 HydrophobicContact CE1-CG1 4.42Å; Y281-I285 WeakPolarHBondContact O-CG1 3.43Å; Y281-I285 PolarHBondContact O-N 3.03Å; Q282-I285 WeakPolarHBondContact O-CB 3.34Å; Q282-I285 PolarHBondContact O-N 3.09Å; I285-T287 VanDerWaalsContact C-N 3.34Å; I285-T287 PolarHBondContact O-N 2.9Å; I285-E288 PolarHBondContact O-N 3.26Å; I285-F289 WeakPolarHBondContact O-CB 3.38Å; I285-F289 PolarHBondContact O-N 2.93Å; I285-I295 HydrophobicContact CB-CD1 4.27Å; I285-I295 HydrophobicContact CG1-CD1 4.25Å; I285-I295 HydrophobicContact CG2-CD1 3.88Å; I285-L297 HydrophobicContact CD1-CD1 4.45Å; I285-L297 HydrophobicContact CD1-CD2 3.99Å; I285-L297 HydrophobicContact CG1-CD2 4.09Å; I285-L297 HydrophobicContact CG2-CD2 4.39Å; I285-F362 HydrophobicContact CB-CD1 4.14Å; I285-F362 HydrophobicContact CD1-CD1 3.96Å; I285-F362 HydrophobicContact CD1-CE1 3.74Å; I285-F362 HydrophobicContact CG2-CB 3.71Å; I285-F362 HydrophobicContact CG2-CD1 3.56Å; I285-F362 HydrophobicContact CG2-CE1 4.4Å; I285-F362 HydrophobicContact CG2-CG 3.81Å
286	Q	98.4	Very high	97.9	Very high	56 Å²	56	66 Å²	66	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-60	-44.8	177.5	-171.1	177.7	-15.2	0	0	111.9	Q282 Q284 E288 F289 E290 N361 F362 G364	Q282-Q286 WeakPolarHBondContact O-CB 3.42Å; Q282-Q286 PolarHBondContact O-N 2.93Å; Q284-Q286 VanDerWaalsContact C-N 3.31Å; Q284-Q286 PolarHBondContact O-N 3.14Å; Q286-E288 PolarHBondContact O-N 2.98Å; Q286-F289 PolarHBondContact O-N 2.81Å; Q286-E290 HydrophobicContact CG-CG 4.34Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.34Å; Q286-E290 PolarHBondContact NE2-OE1 2.92Å; Q286-E290 WeakPolarHBondContact O-CB 3.34Å; Q286-E290 WeakPolarHBondContact O-CG 3.45Å; Q286-E290 PolarHBondContact O-N 3.41Å; Q286-N361 WeakPolarHBondContact CB-O 3.41Å; Q286-N361 PolarHBondContact OE1-O 2.85Å; Q286-F362 VanDerWaalsContact CA-O 3.26Å; Q286-F362 WeakPolarHBondContact CA-O 3.26Å; Q286-G364 VanDerWaalsContact NE2-CA 3.34Å
287	T	98	Very high	97.9	Very high	81 Å²	81	65.7 Å²	65.7	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-46	178.4	-54.5	0	0	0	0	111.2	E283 Q284 I285 F289 E290 D291	E283-T287 PolarHBondContact O-N 3.11Å; E283-T287 PolarHBondContact O-OG1 2.81Å; Q284-T287 PolarHBondContact O-N 2.86Å; I285-T287 VanDerWaalsContact C-N 3.34Å; I285-T287 PolarHBondContact O-N 2.9Å; T287-F289 VanDerWaalsContact C-N 3.35Å; T287-E290 PolarHBondContact O-N 3.24Å; T287-D291 PolarHBondContact O-N 3.22Å
288	E	98.2	Very high	97.9	Very high	114 Å²	114	69.1 Å²	69.1	53%	0.533	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-39.1	178.4	-176.7	172	175.7	0	0	112.2	Q284 I285 Q286 D291 S292 I295	Q284-E288 PolarHBondContact O-N 3.26Å; I285-E288 PolarHBondContact O-N 3.26Å; Q286-E288 PolarHBondContact O-N 2.98Å; E288-D291 PolarHBondContact O-N 3.19Å; E288-S292 PolarHBondContact O-N 2.95Å; E288-S292 PolarHBondContact O-OG 3.11Å; E288-I295 HydrophobicContact CB-CD1 4.12Å; E288-I295 HydrophobicContact CG-CD1 4.05Å; E288-I295 HydrophobicContact CG-CG1 4.49Å
289	F	98.5	Very high	97.9	Very high	5 Å²	5	70.4 Å²	70.4	2%	0.022	36%	0.36	C	S	.	.	H	α-helix	trans	-68.5	-40.1	177.1	-169.2	-89.9	0	0	0	112.4	I285 Q286 T287 D291 S292 S293 I295 F362 T363 L448 L490	I285-F289 WeakPolarHBondContact O-CB 3.38Å; I285-F289 PolarHBondContact O-N 2.93Å; Q286-F289 PolarHBondContact O-N 2.81Å; T287-F289 VanDerWaalsContact C-N 3.35Å; F289-D291 VanDerWaalsContact C-N 3.28Å; F289-D291 PolarHBondContact O-N 2.84Å; F289-S292 PolarHBondContact O-N 3.2Å; F289-S293 WeakPolarHBondContact O-CA 3.19Å; F289-S293 PolarHBondContact O-N 3.37Å; F289-I295 HydrophobicContact CD2-CB 4.13Å; F289-I295 HydrophobicContact CD2-CG2 3.86Å; F289-F362 WeakPolarHBondContact CB-O 3.38Å; F289-T363 HydrophobicContact CD1-CG2 3.8Å; F289-T363 HydrophobicContact CD2-CG2 4.13Å; F289-T363 HydrophobicContact CE1-CG2 3.6Å; F289-T363 HydrophobicContact CE2-CG2 3.95Å; F289-T363 HydrophobicContact CG-CG2 4.05Å; F289-T363 HydrophobicContact CZ-CG2 3.66Å; F289-L448 HydrophobicContact CE1-CD1 4.46Å; F289-L448 HydrophobicContact CE2-CD1 4.16Å; F289-L448 HydrophobicContact CZ-CD1 3.55Å; F289-L490 HydrophobicContact CE2-CB 3.92Å
290	E	97.8	Very high	98	Very high	114 Å²	114	64.8 Å²	64.8	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-34.3	176.3	-75.8	174.3	-175.9	0	0	111.9	Q286 T287	Q286-E290 HydrophobicContact CG-CG 4.34Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.34Å; Q286-E290 PolarHBondContact NE2-OE1 2.92Å; Q286-E290 WeakPolarHBondContact O-CB 3.34Å; Q286-E290 WeakPolarHBondContact O-CG 3.45Å; Q286-E290 PolarHBondContact O-N 3.41Å; T287-E290 PolarHBondContact O-N 3.24Å
291	D	97.4	Very high	98.1	Very high	143 Å²	143	61.8 Å²	61.8	77%	0.765	31%	0.31	S	S	*	.	H	α-helix	trans	-72	-33.6	179.1	-80.6	-15.8	0	0	0	113.3	T287 E288 F289	T287-D291 PolarHBondContact O-N 3.22Å; E288-D291 PolarHBondContact O-N 3.19Å; F289-D291 VanDerWaalsContact C-N 3.28Å; F289-D291 PolarHBondContact O-N 2.84Å
292	S	96.5	Very high	98.2	Very high	56 Å²	56	60.6 Å²	60.6	39%	0.392	31%	0.306	S	S	.	.	H	α-helix	trans	-122.6	-12.1	-168.5	62.8	0	0	0	0	115.1	E288 F289 E294	E288-S292 PolarHBondContact O-N 2.95Å; E288-S292 PolarHBondContact O-OG 3.11Å; F289-S292 PolarHBondContact O-N 3.2Å; S292-E294 PolarHBondContact O-N 3.49Å; S292-E294 PolarHBondContact OG-O 3.4Å
293	S	98.3	Very high	98.2	Very high	51 Å²	51	67.1 Å²	67.1	36%	0.357	34%	0.337	S	S	.	.	S	Bend	trans	57.5	17.5	-172.2	-63.3	0	0	0	0	114.6	F289 Y492	F289-S293 WeakPolarHBondContact O-CA 3.19Å; F289-S293 PolarHBondContact O-N 3.37Å; S293-Y492 PolarHBondContact O-N 3.02Å
294	E	98.5	Very high	98.2	Very high	62 Å²	62	65.9 Å²	65.9	29%	0.29	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.9	178.1	69.6	89.4	178.5	0	0	110.9	S292 L479 L490 V491	S292-E294 PolarHBondContact O-N 3.49Å; S292-E294 PolarHBondContact OG-O 3.4Å; E294-L479 HydrophobicContact CB-CD2 3.69Å; E294-L479 HydrophobicContact CG-CD1 4.26Å; E294-L479 HydrophobicContact CG-CD2 3.96Å; E294-L490 CarbonylContact C-O 3.54Å; E294-L490 VanDerWaalsContact CA-O 3.26Å; E294-L490 WeakPolarHBondContact CA-O 3.26Å; E294-V491 HydrophobicContact CB-CG2 4.29Å
295	I	98.6	Very high	98.2	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	150.8	166.7	-158.7	167.6	0	0	0	111.2	I285 E288 F289 L297 A489 L490	I285-I295 HydrophobicContact CB-CD1 4.27Å; I285-I295 HydrophobicContact CG1-CD1 4.25Å; I285-I295 HydrophobicContact CG2-CD1 3.88Å; E288-I295 HydrophobicContact CB-CD1 4.12Å; E288-I295 HydrophobicContact CG-CD1 4.05Å; E288-I295 HydrophobicContact CG-CG1 4.49Å; F289-I295 HydrophobicContact CD2-CB 4.13Å; F289-I295 HydrophobicContact CD2-CG2 3.86Å; I295-L297 HydrophobicContact CD1-CD2 3.81Å; I295-L297 HydrophobicContact CG1-CD2 3.94Å; I295-L297 HydrophobicContact CG2-CD2 4.09Å; I295-L297 HydrophobicContact CG2-CG 4.23Å; I295-A489 WeakPolarHBondContact O-CA 3.43Å; I295-L490 HydrophobicContact CG2-CB 4.15Å; I295-L490 HydrophobicContact CG2-CD1 4.28Å; I295-L490 HydrophobicContact CG2-CG 4.5Å; I295-L490 PolarHBondContact N-O 3.35Å; I295-L490 PolarHBondContact O-N 3.15Å
296	Q	98.3	Very high	98.2	Very high	69 Å²	69	64 Å²	64	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111	173.9	-174.4	164.8	-17.7	0	0	111.8	E484	Q296-E484 PolarHBondContact NE2-OE2 3.41Å
297	L	98.6	Very high	98.2	Very high	5 Å²	5	69 Å²	69	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	103.6	-176	-52.9	-177	0	0	0	110.5	Y276 I285 I295 F300 F362 S487 L488	Y276-L297 HydrophobicContact CD1-CD1 4.17Å; Y276-L297 HydrophobicContact CE1-CB 3.82Å; Y276-L297 HydrophobicContact CE1-CD1 4.12Å; Y276-L297 HydrophobicContact CE1-CD2 3.83Å; Y276-L297 HydrophobicContact CE1-CG 4.14Å; Y276-L297 HydrophobicContact CE2-CB 4.29Å; I285-L297 HydrophobicContact CD1-CD1 4.45Å; I285-L297 HydrophobicContact CD1-CD2 3.99Å; I285-L297 HydrophobicContact CG1-CD2 4.09Å; I285-L297 HydrophobicContact CG2-CD2 4.39Å; I295-L297 HydrophobicContact CD1-CD2 3.81Å; I295-L297 HydrophobicContact CG1-CD2 3.94Å; I295-L297 HydrophobicContact CG2-CD2 4.09Å; I295-L297 HydrophobicContact CG2-CG 4.23Å; L297-F300 HydrophobicContact CB-CD2 4.09Å; L297-F300 HydrophobicContact CD1-CD2 4.13Å; L297-F300 HydrophobicContact CD1-CE2 4.15Å; L297-F362 HydrophobicContact CD1-CD2 4.1Å; L297-F362 HydrophobicContact CD1-CE2 3.83Å; L297-F362 HydrophobicContact CD1-CZ 4.12Å; L297-S487 CarbonylContact O-C 3.48Å; L297-S487 WeakPolarHBondContact O-CA 3.48Å; L297-L488 HydrophobicContact CB-CB 4.31Å; L297-L488 HydrophobicContact CD1-CD2 4.46Å; L297-L488 PolarHBondContact N-O 2.89Å; L297-L488 PolarHBondContact O-N 3.26Å
298	K	98.2	Very high	98.2	Very high	108 Å²	108	69.2 Å²	69.2	47%	0.47	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	152.7	-177.9	-55.5	-161.1	178.8	-155.5	0	112.9	Y276 F300 E484	Y276-K298 WeakPolarHBondContact CE2-O 3.49Å; Y276-K298 PolarHBondContact OH-N 3.27Å; Y276-K298 PolarHBondContact OH-O 3.29Å; K298-F300 PolarHBondContact O-N 3.04Å; K298-E484 WeakPolarHBondContact CE-OE1 3.31Å; K298-E484 VanDerWaalsContact CE-OE2 3.24Å; K298-E484 WeakPolarHBondContact CE-OE2 3.47Å; K298-E484 IonicContact NZ-OE1 3.61Å; K298-E484 PolarHBondContact NZ-OE1 3.26Å; K298-E484 IonicContact NZ-OE2 3.73Å; K298-E484 PolarHBondContact NZ-OE2 3.45Å
299	D	98.3	Very high	98.2	Very high	103 Å²	103	63.9 Å²	63.9	55%	0.551	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	42.8	-178.9	-62.3	-46.7	0	0	0	112.2	N273 N486	N273-D299 WeakPolarHBondContact CB-O 3.43Å; N273-D299 PolarHBondContact ND2-O 2.89Å; D299-N486 WeakPolarHBondContact CA-ND2 3.44Å; D299-N486 WeakPolarHBondContact CA-O 3.43Å; D299-N486 PolarHBondContact N-O 3.43Å
300	F	98.8	Very high	98.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.311	C	S	.	.			trans	-65.8	-48.8	-169.6	-177.2	-100.4	0	0	0	112.7	V272 N273 Y276 L297 K298 F355 L358 F362 N486 L488	V272-F300 HydrophobicContact CG1-CE1 4.39Å; V272-F300 HydrophobicContact CG1-CE2 4.09Å; V272-F300 HydrophobicContact CG1-CZ 3.9Å; V272-F300 HydrophobicContact CG2-CE1 4.16Å; V272-F300 HydrophobicContact CG2-CZ 4.15Å; N273-F300 WeakPolarHBondContact CB-O 3.27Å; N273-F300 PolarHBondContact N-O 3.26Å; Y276-F300 AromaticContact CD2-CD2 3.7Å; Y276-F300 HydrophobicContact CD2-CD2 3.7Å; Y276-F300 HydrophobicContact CD2-CE2 4.17Å; Y276-F300 HydrophobicContact CE2-CB 4.48Å; Y276-F300 HydrophobicContact CE2-CD2 4.03Å; Y276-F300 HydrophobicContact CG-CD2 4.22Å; Y276-F300 HydrophobicContact CG-CE2 4.3Å; L297-F300 HydrophobicContact CB-CD2 4.09Å; L297-F300 HydrophobicContact CD1-CD2 4.13Å; L297-F300 HydrophobicContact CD1-CE2 4.15Å; K298-F300 PolarHBondContact O-N 3.04Å; F300-F355 AromaticContact CE1-CE2 3.79Å; F300-F355 HydrophobicContact CE1-CE2 3.79Å; F300-F355 HydrophobicContact CE1-CZ 4.22Å; F300-F355 AromaticContact CZ-CE2 3.68Å; F300-F355 HydrophobicContact CZ-CE2 3.68Å; F300-F355 HydrophobicContact CZ-CZ 4.18Å; F300-L358 HydrophobicContact CZ-CD2 4.34Å; F300-F362 AromaticContact CE2-CE2 4Å; F300-F362 HydrophobicContact CE2-CE2 4Å; F300-F362 HydrophobicContact CE2-CZ 4.29Å; F300-F362 HydrophobicContact CZ-CE2 4.48Å; F300-N486 PolarHBondContact N-O 2.6Å; F300-L488 HydrophobicContact CB-CB 3.75Å; F300-L488 HydrophobicContact CD1-CB 4.01Å; F300-L488 HydrophobicContact CD1-CD2 3.97Å; F300-L488 HydrophobicContact CD1-CG 4.4Å; F300-L488 HydrophobicContact CD2-CB 3.86Å; F300-L488 HydrophobicContact CD2-CD2 3.73Å; F300-L488 HydrophobicContact CD2-CG 4.42Å; F300-L488 HydrophobicContact CE1-CD2 3.8Å; F300-L488 HydrophobicContact CE2-CD2 3.53Å; F300-L488 HydrophobicContact CG-CB 3.57Å; F300-L488 HydrophobicContact CG-CD2 3.95Å; F300-L488 HydrophobicContact CG-CG 4.31Å; F300-L488 HydrophobicContact CZ-CD2 3.58Å
301	L	98.8	Very high	98	Very high	1 Å²	1	65 Å²	65	1%	0.005	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-81.5	150.7	170.3	-57.2	-179.8	0	0	0	109.3	W271 E303 F306 L349 L452 F454 N486	W271-L301 WeakPolarHBondContact O-CA 3.41Å; L301-E303 PolarHBondContact O-N 2.9Å; L301-F306 HydrophobicContact CB-CB 4.19Å; L301-L349 HydrophobicContact CD2-CD2 3.94Å; L301-L452 HydrophobicContact CD1-CD2 3.96Å; L301-L452 HydrophobicContact CG-CD2 4.17Å; L301-F454 HydrophobicContact CD1-CE1 3.98Å; L301-F454 HydrophobicContact CD1-CZ 3.9Å; L301-N486 VanDerWaalsContact CB-OD1 3.31Å; L301-N486 WeakPolarHBondContact CB-OD1 3.5Å; L301-N486 PolarHBondContact N-OD1 3.28Å; L301-N486 PolarHBondContact O-ND2 3.4Å
302	K	98.7	Very high	98	Very high	45 Å²	45	58.3 Å²	58.3	20%	0.196	28%	0.28	C	S	.	.			trans	-58.4	141.1	168	-61.3	-178.7	-171.5	167.7	0	110.6	F269 E270 W271 V272 E304 K305 F306	F269-K302 WeakPolarHBondContact O-CE 3.26Å; F269-K302 PolarHBondContact O-NZ 3.35Å; E270-K302 WeakPolarHBondContact O-CD 3.49Å; E270-K302 WeakPolarHBondContact O-CE 3.34Å; E270-K302 PolarHBondContact O-NZ 2.82Å; W271-K302 PolarHBondContact O-N 2.9Å; V272-K302 WeakPolarHBondContact O-CE 3.31Å; K302-E304 VanDerWaalsContact C-N 3.25Å; K302-E304 WeakPolarHBondContact CB-OE1 3.25Å; K302-E304 WeakPolarHBondContact CB-OE2 3.32Å; K302-E304 WeakPolarHBondContact CD-OE1 3.36Å; K302-E304 PolarHBondContact O-N 2.76Å; K302-E304 VanDerWaalsContact O-N 3.15Å; K302-K305 WeakPolarHBondContact O-CA 3.49Å; K302-K305 WeakPolarHBondContact O-CB 3.41Å; K302-K305 PolarHBondContact O-N 3.44Å; K302-F306 PolarHBondContact O-N 3.37Å
303	E	98.2	Very high	97.9	Very high	154 Å²	154	55.8 Å²	55.8	72%	0.72	26%	0.262	S	S	*	.	H	α-helix	trans	-52.7	-41.7	-173	-171.3	-173	166	0	0	112.7	L301 K305 R307	L301-E303 PolarHBondContact O-N 2.9Å; E303-K305 VanDerWaalsContact C-N 3.32Å; E303-K305 PolarHBondContact O-N 2.77Å; E303-R307 WeakPolarHBondContact O-CB 3.16Å; E303-R307 PolarHBondContact O-N 3.22Å
304	E	98.3	Very high	97.6	Very high	95 Å²	95	60.6 Å²	60.6	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-64.2	-36.7	179.2	70.7	-77.9	-174.3	0	0	112.9	K302 E308	K302-E304 VanDerWaalsContact C-N 3.25Å; K302-E304 WeakPolarHBondContact CB-OE1 3.25Å; K302-E304 WeakPolarHBondContact CB-OE2 3.32Å; K302-E304 WeakPolarHBondContact CD-OE1 3.36Å; K302-E304 PolarHBondContact O-N 2.76Å; K302-E304 VanDerWaalsContact O-N 3.15Å; E304-E308 WeakPolarHBondContact O-CB 3.3Å; E304-E308 PolarHBondContact O-N 2.6Å; E304-E308 VanDerWaalsContact O-N 3.15Å
305	K	98.4	Very high	97	Very high	47 Å²	47	62.3 Å²	62.3	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-76.3	-44.5	178.9	-67.9	-59.2	-173.8	178.4	0	111.5	W271 K302 E303 R307 E308 V309	W271-K305 HydrophobicContact CD2-CB 4.48Å; W271-K305 HydrophobicContact CD2-CD 4.14Å; W271-K305 HydrophobicContact CD2-CG 4.19Å; W271-K305 HydrophobicContact CE3-CB 3.73Å; W271-K305 HydrophobicContact CE3-CD 4.01Å; W271-K305 HydrophobicContact CE3-CG 3.93Å; W271-K305 HydrophobicContact CH2-CD 4.07Å; W271-K305 HydrophobicContact CZ2-CD 4.19Å; W271-K305 HydrophobicContact CZ3-CB 3.9Å; W271-K305 HydrophobicContact CZ3-CD 3.98Å; W271-K305 HydrophobicContact CZ3-CG 4.27Å; K302-K305 WeakPolarHBondContact O-CA 3.49Å; K302-K305 WeakPolarHBondContact O-CB 3.41Å; K302-K305 PolarHBondContact O-N 3.44Å; E303-K305 VanDerWaalsContact C-N 3.32Å; E303-K305 PolarHBondContact O-N 2.77Å; K305-R307 VanDerWaalsContact C-N 3.31Å; K305-R307 PolarHBondContact O-N 2.69Å; K305-E308 IonicContact NZ-OE2 2.69Å; K305-E308 PolarHBondContact O-N 2.8Å; K305-V309 WeakPolarHBondContact O-CG2 3.36Å; K305-V309 PolarHBondContact O-N 3.39Å
306	F	98.4	Very high	96.1	Very high	29 Å²	29	69.3 Å²	69.3	13%	0.127	32%	0.323	C	S	.	.	H	α-helix	trans	-55.7	-47.3	174.2	174	-106.3	0	0	0	111.4	L301 K302 V309 S310 F454 D485 N486	L301-F306 HydrophobicContact CB-CB 4.19Å; K302-F306 PolarHBondContact O-N 3.37Å; F306-V309 PolarHBondContact O-N 3.42Å; F306-S310 WeakPolarHBondContact CZ-OG 3.01Å; F306-S310 VanDerWaalsContact O-CB 3.28Å; F306-S310 WeakPolarHBondContact O-CB 3.34Å; F306-S310 PolarHBondContact O-N 2.88Å; F306-S310 PolarHBondContact O-OG 3.23Å; F306-F454 AromaticContact CD2-CD1 3.6Å; F306-F454 HydrophobicContact CD2-CD1 3.6Å; F306-F454 AromaticContact CD2-CE1 3.58Å; F306-F454 HydrophobicContact CD2-CE1 3.58Å; F306-F454 HydrophobicContact CE2-CB 4.5Å; F306-F454 AromaticContact CE2-CD1 3.37Å; F306-F454 HydrophobicContact CE2-CD1 3.37Å; F306-F454 AromaticContact CE2-CE1 3.83Å; F306-F454 HydrophobicContact CE2-CE1 3.83Å; F306-F454 HydrophobicContact CE2-CG 4.14Å; F306-F454 HydrophobicContact CZ-CD1 4.38Å; F306-D485 HydrophobicContact CE1-CB 4.25Å; F306-D485 HydrophobicContact CE2-CB 4.46Å; F306-D485 HydrophobicContact CZ-CB 3.64Å; F306-N486 HydrophobicContact CB-CB 4.47Å; F306-N486 HydrophobicContact CD1-CB 4.07Å; F306-N486 HydrophobicContact CD2-CB 3.46Å; F306-N486 VanDerWaalsContact CD2-CB 3.46Å; F306-N486 HydrophobicContact CE1-CB 4.18Å; F306-N486 HydrophobicContact CE2-CB 3.61Å; F306-N486 VanDerWaalsContact CE2-N 3.32Å; F306-N486 HydrophobicContact CG-CB 3.72Å; F306-N486 HydrophobicContact CZ-CB 3.98Å
307	R	97.8	Very high	95.7	Very high	161 Å²	161	68.9 Å²	68.9	61%	0.608	34%	0.337	S	S	*	.	H	α-helix	trans	-63.8	-42.7	178.5	-173.2	-178.8	64.2	-176	-4.1	112.4	E303 K305 S310 E311	E303-R307 WeakPolarHBondContact O-CB 3.16Å; E303-R307 PolarHBondContact O-N 3.22Å; K305-R307 VanDerWaalsContact C-N 3.31Å; K305-R307 PolarHBondContact O-N 2.69Å; R307-S310 PolarHBondContact O-N 2.99Å; R307-E311 WeakPolarHBondContact O-CB 3.41Å; R307-E311 PolarHBondContact O-N 3.44Å
308	E	97.6	Very high	95.6	Very high	86 Å²	86	69.1 Å²	69.1	40%	0.402	34%	0.338	S	S	.	.	H	α-helix	trans	-60.3	-46	178	-175.2	-177.8	-175.7	0	0	111.7	E304 K305 A312 C342	E304-E308 WeakPolarHBondContact O-CB 3.3Å; E304-E308 PolarHBondContact O-N 2.6Å; E304-E308 VanDerWaalsContact O-N 3.15Å; K305-E308 IonicContact NZ-OE2 2.69Å; K305-E308 PolarHBondContact O-N 2.8Å; E308-A312 WeakPolarHBondContact O-CB 3.26Å; E308-A312 PolarHBondContact O-N 2.93Å; E308-A312 VanDerWaalsContact O-N 3.14Å; E308-C342 HydrophobicContact CG-CB 3.73Å; E308-C342 WeakPolarHBondContact OE1-CB 3.28Å
309	V	98.1	Very high	95.6	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-67.5	-44.9	177	174.7	0	0	0	0	111.1	W271 K305 F306 E311 A312 L313 V343 C346 F454	W271-V309 HydrophobicContact CH2-CG2 4.17Å; W271-V309 HydrophobicContact CZ3-CG2 3.76Å; K305-V309 WeakPolarHBondContact O-CG2 3.36Å; K305-V309 PolarHBondContact O-N 3.39Å; F306-V309 PolarHBondContact O-N 3.42Å; V309-E311 VanDerWaalsContact C-N 3.33Å; V309-E311 PolarHBondContact O-N 3.26Å; V309-A312 PolarHBondContact O-N 2.99Å; V309-A312 VanDerWaalsContact O-N 3.13Å; V309-L313 HydrophobicContact CG1-CD1 3.76Å; V309-L313 HydrophobicContact CG1-CG 4.24Å; V309-L313 WeakPolarHBondContact O-CG 3.46Å; V309-L313 PolarHBondContact O-N 2.8Å; V309-V343 HydrophobicContact CG1-CG2 4.36Å; V309-C346 HydrophobicContact CG2-CB 3.89Å; V309-F454 HydrophobicContact CB-CD1 4.31Å; V309-F454 HydrophobicContact CB-CE1 3.83Å; V309-F454 HydrophobicContact CB-CZ 4.47Å; V309-F454 HydrophobicContact CG1-CD1 3.86Å; V309-F454 HydrophobicContact CG1-CE1 3.46Å; V309-F454 VanDerWaalsContact CG1-CE1 3.46Å; V309-F454 HydrophobicContact CG1-CE2 4.37Å; V309-F454 HydrophobicContact CG1-CG 4.47Å; V309-F454 HydrophobicContact CG1-CZ 3.75Å
310	S	96.7	Very high	95.5	Very high	12 Å²	12	67.1 Å²	67.1	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-58.2	-42.8	178.6	-63	0	0	0	0	112.5	F306 R307	F306-S310 WeakPolarHBondContact CZ-OG 3.01Å; F306-S310 VanDerWaalsContact O-CB 3.28Å; F306-S310 WeakPolarHBondContact O-CB 3.34Å; F306-S310 PolarHBondContact O-N 2.88Å; F306-S310 PolarHBondContact O-OG 3.23Å; R307-S310 PolarHBondContact O-N 2.99Å
311	E	95.6	Very high	95.4	Very high	130 Å²	130	71 Å²	71	61%	0.607	34%	0.34	S	S	*	.	H	α-helix	trans	-67.3	-39.8	176.8	-174.9	174.4	-177.4	0	0	111.5	R307 V309 R314	R307-E311 WeakPolarHBondContact O-CB 3.41Å; R307-E311 PolarHBondContact O-N 3.44Å; V309-E311 VanDerWaalsContact C-N 3.33Å; V309-E311 PolarHBondContact O-N 3.26Å; E311-R314 PolarHBondContact O-N 3.15Å
312	A	96.9	Very high	95.3	Very high	3 Å²	3	78.7 Å²	78.7	3%	0.025	37%	0.373	C	S	.	.	H	α-helix	trans	-68.3	-36.5	179.8	0	0	0	0	0	113.6	E308 V309 R314 Q315 P340 C342 V343	E308-A312 WeakPolarHBondContact O-CB 3.26Å; E308-A312 PolarHBondContact O-N 2.93Å; E308-A312 VanDerWaalsContact O-N 3.14Å; V309-A312 PolarHBondContact O-N 2.99Å; V309-A312 VanDerWaalsContact O-N 3.13Å; A312-R314 PolarHBondContact O-N 2.84Å; A312-Q315 VanDerWaalsContact O-CB 3.31Å; A312-Q315 WeakPolarHBondContact O-CB 3.31Å; A312-Q315 WeakPolarHBondContact O-CG 3.48Å; A312-Q315 PolarHBondContact O-N 2.97Å; A312-Q315 VanDerWaalsContact O-N 3.12Å; A312-P340 HydrophobicContact CB-CB 4.06Å; A312-P340 HydrophobicContact CB-CG 4.17Å; A312-C342 WeakPolarHBondContact CB-SG 3.35Å; A312-V343 HydrophobicContact CB-CG2 3.72Å
313	L	95.8	Very high	95.2	Very high	3 Å²	3	81.6 Å²	81.6	2%	0.016	38%	0.382	C	S	.	.	H	α-helix	trans	-64.4	-27.2	178	-73.1	167.4	0	0	0	113.1	V309 Q315 I318 V343 V425 F454 Y520	V309-L313 HydrophobicContact CG1-CD1 3.76Å; V309-L313 HydrophobicContact CG1-CG 4.24Å; V309-L313 WeakPolarHBondContact O-CG 3.46Å; V309-L313 PolarHBondContact O-N 2.8Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 2.76Å; L313-I318 HydrophobicContact CD2-CD1 4.22Å; L313-V343 HydrophobicContact CD2-CG1 3.92Å; L313-V343 HydrophobicContact CD2-CG2 4.16Å; L313-V343 HydrophobicContact CG-CG2 4.19Å; L313-V425 HydrophobicContact CD2-CG1 3.69Å; L313-F454 HydrophobicContact CD1-CB 3.7Å; L313-F454 HydrophobicContact CD1-CD1 4.24Å; L313-F454 HydrophobicContact CD1-CD2 3.88Å; L313-F454 HydrophobicContact CD1-CG 3.69Å; L313-Y520 HydrophobicContact CB-CD1 4.21Å; L313-Y520 HydrophobicContact CB-CD2 3.77Å; L313-Y520 HydrophobicContact CB-CE1 4.46Å; L313-Y520 HydrophobicContact CB-CE2 4.07Å; L313-Y520 HydrophobicContact CB-CG 3.87Å; L313-Y520 HydrophobicContact CD1-CD2 4.39Å; L313-Y520 HydrophobicContact CD1-CG 4.2Å; L313-Y520 HydrophobicContact CG-CG 4.43Å; L313-Y520 WeakPolarHBondContact O-CE1 3.34Å
314	R	91	Very high	95.1	Very high	152 Å²	152	75.9 Å²	75.9	57%	0.574	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.4	176.4	-66.1	174.8	179.4	171.7	-0.1	113.8	E311 A312 Y520	E311-R314 PolarHBondContact O-N 3.15Å; A312-R314 PolarHBondContact O-N 2.84Å; R314-Y520 HydrophobicContact CG-CE2 3.85Å
315	Q	86.3	Confident	95	Very high	98 Å²	98	72.4 Å²	72.4	46%	0.458	35%	0.351	S	S	.	.	S	Bend	trans	-79.7	143.7	-178.2	-62.6	178.9	6.8	0	0	111.8	A312 L313 G317	A312-Q315 VanDerWaalsContact O-CB 3.31Å; A312-Q315 WeakPolarHBondContact O-CB 3.31Å; A312-Q315 WeakPolarHBondContact O-CG 3.48Å; A312-Q315 PolarHBondContact O-N 2.97Å; A312-Q315 VanDerWaalsContact O-N 3.12Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 2.76Å; Q315-G317 PolarHBondContact O-N 2.69Å; Q315-G317 VanDerWaalsContact O-N 3.09Å
316	T	80.3	Confident	95	Very high	152 Å²	152	71.1 Å²	71.1	93%	0.933	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-0.2	-178.7	60.6	0	0	0	0	114.4
317	G	90.1	Very high	95	Very high	60 Å²	60	71.1 Å²	71.1	62%	0.619	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.5	-178.7	0	0	0	0	0	114.3	Q315	Q315-G317 PolarHBondContact O-N 2.69Å; Q315-G317 VanDerWaalsContact O-N 3.09Å
318	I	95.8	Very high	94.9	Very high	10 Å²	10	63.9 Å²	63.9	5%	0.051	32%	0.321	C	S	.	.	S	Bend	trans	-74.3	129.2	-180	-62.8	167.3	0	0	0	109.5	L313 W320 A334 P340	L313-I318 HydrophobicContact CD2-CD1 4.22Å; I318-W320 HydrophobicContact CB-CZ2 4.28Å; I318-W320 HydrophobicContact CD1-CZ2 4.03Å; I318-W320 HydrophobicContact CG2-CD2 3.91Å; I318-W320 VanDerWaalsContact CG2-CE2 3.48Å; I318-W320 HydrophobicContact CG2-CE3 4.49Å; I318-W320 HydrophobicContact CG2-CG 4.28Å; I318-W320 HydrophobicContact CG2-CH2 4.34Å; I318-W320 HydrophobicContact CG2-CZ2 3.74Å; I318-W320 PolarHBondContact O-N 3.39Å; I318-A334 HydrophobicContact CG2-CB 3.65Å; I318-P340 HydrophobicContact CD1-CG 4.28Å; I318-P340 HydrophobicContact CG1-CG 4.11Å
319	R	96.9	Very high	94.9	Very high	130 Å²	130	62 Å²	62	49%	0.491	31%	0.31	S	S	.	.			trans	-85.4	98.6	173.2	-175.5	173.8	68.9	-150.1	-2.8	109.4	S335 D337 S338	R319-S335 PolarHBondContact NH2-OG 2.97Å; R319-S335 WeakPolarHBondContact O-CB 3.45Å; R319-S335 PolarHBondContact O-N 3.38Å; R319-D337 IonicContact CZ-OD1 3.87Å; R319-D337 IonicContact CZ-OD2 2.7Å; R319-D337 IonicContact NH1-OD2 3.33Å; R319-D337 VanDerWaalsContact NH2-CG 3.29Å; R319-D337 IonicContact NH2-OD1 3.06Å; R319-D337 PolarHBondContact NH2-OD1 3.2Å; R319-D337 IonicContact NH2-OD2 3.61Å; R319-D337 PolarHBondContact NH2-OD2 3.37Å; R319-S338 PolarHBondContact N-OG 3.44Å
320	W	96.6	Very high	94.9	Very high	39 Å²	39	62.7 Å²	62.7	15%	0.148	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.9	173.3	-62.4	103.8	0	0	0	111.5	I318 E332 A334 V425 R427 Y520	I318-W320 HydrophobicContact CB-CZ2 4.28Å; I318-W320 HydrophobicContact CD1-CZ2 4.03Å; I318-W320 HydrophobicContact CG2-CD2 3.91Å; I318-W320 VanDerWaalsContact CG2-CE2 3.48Å; I318-W320 HydrophobicContact CG2-CE3 4.49Å; I318-W320 HydrophobicContact CG2-CG 4.28Å; I318-W320 HydrophobicContact CG2-CH2 4.34Å; I318-W320 HydrophobicContact CG2-CZ2 3.74Å; I318-W320 PolarHBondContact O-N 3.39Å; W320-E332 HydrophobicContact CB-CB 4.21Å; W320-E332 HydrophobicContact CE3-CB 4.24Å; W320-A334 HydrophobicContact CE3-CB 3.98Å; W320-A334 HydrophobicContact CH2-CB 4.08Å; W320-A334 HydrophobicContact CZ3-CB 3.69Å; W320-V425 HydrophobicContact CH2-CG1 4.02Å; W320-V425 HydrophobicContact CZ3-CG1 4.4Å; W320-R427 HydrophobicContact CD2-CB 4.07Å; W320-R427 HydrophobicContact CE3-CB 3.63Å; W320-R427 HydrophobicContact CH2-CB 3.79Å; W320-R427 HydrophobicContact CZ2-CB 4.19Å; W320-R427 HydrophobicContact CZ3-CB 3.49Å; W320-R427 VanDerWaalsContact CZ3-CB 3.49Å; W320-Y520 AromaticContact CH2-CD1 3.59Å; W320-Y520 HydrophobicContact CH2-CD1 3.59Å; W320-Y520 HydrophobicContact CH2-CE1 4.03Å; W320-Y520 AromaticContact CZ2-CD1 3.65Å; W320-Y520 HydrophobicContact CZ2-CD1 3.65Å; W320-Y520 AromaticContact CZ2-CE1 3.59Å; W320-Y520 HydrophobicContact CZ2-CE1 3.59Å
321	M	97.1	Very high	95	Very high	83 Å²	83	63.2 Å²	63.2	41%	0.409	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.1	178.5	-63.2	-175.1	-65.5	0	0	110.1	R323 E332 S333	M321-R323 PolarHBondContact O-N 3.47Å; M321-E332 VanDerWaalsContact O-CA 3.32Å; M321-E332 WeakPolarHBondContact O-CA 3.32Å; M321-S333 PolarHBondContact N-O 3.45Å; M321-S333 PolarHBondContact O-N 3.08Å
322	K	96.7	Very high	95.1	Very high	162 Å²	162	59.2 Å²	59.2	70%	0.704	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.7	175.4	-169.8	169.4	-176.6	170.3	0	110.7	C330 Y331	K322-C330 WeakPolarHBondContact CE-SG 3.19Å; K322-Y331 CarbonylContact C-O 3.46Å; K322-Y331 WeakPolarHBondContact CA-O 3.5Å
323	R	97.2	Very high	95.1	Very high	105 Å²	105	59.4 Å²	59.4	40%	0.396	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.5	178.4	-60.4	-65.9	-73.6	178.2	-0.2	109.5	M321 R329 C330 Y331 S333	M321-R323 PolarHBondContact O-N 3.47Å; R323-R329 HydrophobicContact CB-CG 4.48Å; R323-C330 WeakPolarHBondContact O-CA 3.47Å; R323-Y331 HydrophobicContact CB-CD1 4.28Å; R323-Y331 HydrophobicContact CB-CD2 4.26Å; R323-Y331 HydrophobicContact CB-CE1 4Å; R323-Y331 HydrophobicContact CB-CE2 3.98Å; R323-Y331 HydrophobicContact CB-CG 4.38Å; R323-Y331 HydrophobicContact CG-CD2 4.14Å; R323-Y331 HydrophobicContact CG-CE2 3.69Å; R323-Y331 PolarHBondContact N-O 3.04Å; R323-S333 WeakPolarHBondContact CD-OG 3.46Å; R323-S333 WeakPolarHBondContact CG-OG 3.47Å
324	G	95.7	Very high	95.2	Very high	34 Å²	34	59.8 Å²	59.8	35%	0.351	30%	0.302	S	S	.	.			trans	-138.4	-163	178.9	0	0	0	0	0	111.3	R329	G324-R329 WeakPolarHBondContact CA-O 2.98Å; G324-R329 WeakPolarHBondContact O-CD 3.27Å; G324-R329 VanDerWaalsContact O-CG 3.32Å; G324-R329 WeakPolarHBondContact O-CG 3.41Å; G324-R329 PolarHBondContact O-NH1 3.18Å
325	P	96.9	Very high	95.4	Very high	23 Å²	23	53.1 Å²	53.1	15%	0.149	28%	0.279	C	S	.	.			cis	-72.8	162.1	-4.5	30.6	-36.3	0	0	0	113.4	Q194 P195 N327 K328 R329	Q194-P325 HydrophobicContact CB-CB 4.29Å; Q194-P325 HydrophobicContact CB-CG 4.36Å; P195-P325 HydrophobicContact CG-CB 4.45Å; P195-P325 WeakPolarHBondContact O-CB 3.44Å; P325-N327 VanDerWaalsContact C-N 3.27Å; P325-N327 WeakPolarHBondContact CB-OD1 3.46Å; P325-N327 VanDerWaalsContact CG-OD1 3.29Å; P325-N327 WeakPolarHBondContact CG-OD1 3.38Å; P325-N327 PolarHBondContact O-N 2.6Å; P325-N327 VanDerWaalsContact O-N 3.17Å; P325-K328 HydrophobicContact CG-CB 4.38Å; P325-K328 HydrophobicContact CG-CD 3.84Å; P325-K328 HydrophobicContact CG-CG 4.02Å; P325-K328 PolarHBondContact O-N 3.4Å; P325-R329 CarbonylContact C-O 3.56Å; P325-R329 PolarHBondContact O-N 3.35Å
326	P	98	Very high	95.7	Very high	20 Å²	20	53 Å²	53	13%	0.13	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.2	-174.1	-27	36.7	0	0	0	116.3	C156 Y187 P195 K328 Y433	C156-P326 HydrophobicContact CB-CB 4.01Å; Y187-P326 HydrophobicContact CD1-CG 4.28Å; Y187-P326 HydrophobicContact CE1-CB 3.76Å; Y187-P326 HydrophobicContact CE1-CG 3.74Å; P195-P326 WeakPolarHBondContact O-CD 3.26Å; P326-K328 PolarHBondContact O-N 3.17Å; P326-Y433 VanDerWaalsContact O-CE2 3.25Å; P326-Y433 WeakPolarHBondContact O-CE2 3.21Å; P326-Y433 PolarHBondContact O-OH 2.82Å
327	N	97.4	Very high	96.3	Very high	29 Å²	29	51.3 Å²	51.3	16%	0.155	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	5	173	65.7	-41	0	0	0	113.7	P195 F219 P325	P195-N327 VanDerWaalsContact CD-OD1 3.24Å; P195-N327 WeakPolarHBondContact CD-OD1 3.26Å; P195-N327 HydrophobicContact CG-CB 3.73Å; P195-N327 WeakPolarHBondContact CG-OD1 3.34Å; F219-N327 HydrophobicContact CD1-CB 4.29Å; F219-N327 HydrophobicContact CE1-CB 3.98Å; P325-N327 VanDerWaalsContact C-N 3.27Å; P325-N327 WeakPolarHBondContact CB-OD1 3.46Å; P325-N327 VanDerWaalsContact CG-OD1 3.29Å; P325-N327 WeakPolarHBondContact CG-OD1 3.38Å; P325-N327 PolarHBondContact O-N 2.6Å; P325-N327 VanDerWaalsContact O-N 3.17Å
328	K	96.7	Very high	96.6	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.039	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-43.3	-179.6	-59	-173.6	170.9	179.9	0	112.1	E252 P325 P326 T434 L435 H437	E252-K328 IonicContact OE1-NZ 2.94Å; E252-K328 WeakPolarHBondContact OE2-CD 3.29Å; E252-K328 IonicContact OE2-NZ 2.65Å; E252-K328 PolarHBondContact OE2-NZ 3.42Å; P325-K328 HydrophobicContact CG-CB 4.38Å; P325-K328 HydrophobicContact CG-CD 3.84Å; P325-K328 HydrophobicContact CG-CG 4.02Å; P325-K328 PolarHBondContact O-N 3.4Å; P326-K328 PolarHBondContact O-N 3.17Å; K328-T434 CarbonylContact O-C 3.5Å; K328-T434 WeakPolarHBondContact O-CA 3.36Å; K328-L435 PolarHBondContact O-N 3.43Å; K328-H437 WeakPolarHBondContact CD-NE2 3.49Å; K328-H437 VanDerWaalsContact CG-CD2 3.47Å; K328-H437 WeakPolarHBondContact CG-CD2 3.49Å
329	R	97.5	Very high	96.6	Very high	45 Å²	45	50 Å²	50	17%	0.17	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	151.4	-175.7	60.2	-164.3	75	90	-3.6	112.1	E252 R323 G324 P325 Y331 Y433 T434	E252-R329 IonicContact OE1-CZ 3.87Å; E252-R329 IonicContact OE1-NH1 3.19Å; E252-R329 PolarHBondContact OE1-NH1 3.39Å; E252-R329 IonicContact OE1-NH2 3.49Å; E252-R329 IonicContact OE2-CZ 3.63Å; E252-R329 IonicContact OE2-NH1 3.34Å; E252-R329 PolarHBondContact OE2-NH1 2.87Å; E252-R329 IonicContact OE2-NH2 3.72Å; E252-R329 PolarHBondContact OE2-NH2 3.34Å; E252-R329 VanDerWaalsContact OE2-NH2 3.08Å; R323-R329 HydrophobicContact CB-CG 4.48Å; G324-R329 WeakPolarHBondContact CA-O 2.98Å; G324-R329 WeakPolarHBondContact O-CD 3.27Å; G324-R329 VanDerWaalsContact O-CG 3.32Å; G324-R329 WeakPolarHBondContact O-CG 3.41Å; G324-R329 PolarHBondContact O-NH1 3.18Å; P325-R329 CarbonylContact C-O 3.56Å; P325-R329 PolarHBondContact O-N 3.35Å; R329-Y331 HydrophobicContact CB-CD1 3.94Å; R329-Y331 HydrophobicContact CB-CE1 3.71Å; R329-Y331 HydrophobicContact CG-CE1 4.04Å; R329-Y433 WeakPolarHBondContact CA-O 3.45Å; R329-T434 HydrophobicContact CB-CG2 4.1Å
330	C	98.1	Very high	96.6	Very high	18 Å²	18	45.1 Å²	45.1	12%	0.122	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	100.7	169.2	-177.9	0	0	0	0	107	K322 R323 G432 Y433	K322-C330 WeakPolarHBondContact CE-SG 3.19Å; R323-C330 WeakPolarHBondContact O-CA 3.47Å; C330-G432 CarbonylContact O-C 3.54Å; C330-G432 WeakPolarHBondContact O-CA 3.26Å; C330-Y433 HydrophobicContact CB-CD1 3.75Å; C330-Y433 HydrophobicContact CB-CD2 4.48Å; C330-Y433 HydrophobicContact CB-CE1 3.32Å; C330-Y433 HydrophobicContact CB-CE2 4.12Å; C330-Y433 HydrophobicContact CB-CG 4.31Å; C330-Y433 PolarHBondContact N-O 3.02Å; C330-Y433 PolarHBondContact O-N 2.89Å
331	Y	98.1	Very high	96.5	Very high	23 Å²	23	50.5 Å²	50.5	9%	0.09	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	-179.5	173.3	62.7	-89.1	0	0	0	108.4	K322 R323 R329 E424 R426 W428 T434	K322-Y331 CarbonylContact C-O 3.46Å; K322-Y331 WeakPolarHBondContact CA-O 3.5Å; R323-Y331 HydrophobicContact CB-CD1 4.28Å; R323-Y331 HydrophobicContact CB-CD2 4.26Å; R323-Y331 HydrophobicContact CB-CE1 4Å; R323-Y331 HydrophobicContact CB-CE2 3.98Å; R323-Y331 HydrophobicContact CB-CG 4.38Å; R323-Y331 HydrophobicContact CG-CD2 4.14Å; R323-Y331 HydrophobicContact CG-CE2 3.69Å; R323-Y331 PolarHBondContact N-O 3.04Å; R329-Y331 HydrophobicContact CB-CD1 3.94Å; R329-Y331 HydrophobicContact CB-CE1 3.71Å; R329-Y331 HydrophobicContact CG-CE1 4.04Å; Y331-E424 VanDerWaalsContact CE2-OE1 3.26Å; Y331-E424 WeakPolarHBondContact CE2-OE1 3.35Å; Y331-E424 VanDerWaalsContact CZ-OE1 3.23Å; Y331-E424 PolarHBondContact OH-OE1 3.26Å; Y331-E424 PolarHBondContact OH-OE2 3.23Å; Y331-R426 HydrophobicContact CD2-CB 4.43Å; Y331-R426 HydrophobicContact CD2-CG 4.24Å; Y331-R426 HydrophobicContact CE2-CG 4.02Å; Y331-W428 AromaticContact CD1-CH2 3.82Å; Y331-W428 HydrophobicContact CD1-CH2 3.82Å; Y331-W428 HydrophobicContact CD1-CZ2 4.44Å; Y331-W428 HydrophobicContact CD1-CZ3 4.39Å; Y331-W428 AromaticContact CG-CH2 3.84Å; Y331-W428 HydrophobicContact CG-CH2 3.84Å; Y331-W428 HydrophobicContact CG-CZ2 4.18Å; Y331-W428 HydrophobicContact CG-CZ3 4.25Å; Y331-T434 HydrophobicContact CD1-CG2 4.14Å; Y331-T434 HydrophobicContact CE1-CG2 4.1Å
332	E	98.1	Very high	96.5	Very high	45 Å²	45	47.3 Å²	47.3	21%	0.21	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.2	175.2	-68.1	172.6	114.4	0	0	111.4	W320 M321 R426 R427	W320-E332 HydrophobicContact CB-CB 4.21Å; W320-E332 HydrophobicContact CE3-CB 4.24Å; M321-E332 VanDerWaalsContact O-CA 3.32Å; M321-E332 WeakPolarHBondContact O-CA 3.32Å; E332-R426 CarbonylContact O-C 3.33Å; E332-R426 WeakPolarHBondContact O-CA 3.28Å; E332-R427 HydrophobicContact CB-CB 4.25Å; E332-R427 PolarHBondContact N-O 2.53Å; E332-R427 PolarHBondContact O-N 3.4Å; E332-R427 IonicContact OE1-CZ 3.64Å; E332-R427 IonicContact OE1-NH2 3.47Å; E332-R427 PolarHBondContact OE1-NH2 2.66Å; E332-R427 IonicContact OE2-CZ 2.73Å; E332-R427 IonicContact OE2-NE 2.7Å; E332-R427 PolarHBondContact OE2-NE 3.05Å; E332-R427 IonicContact OE2-NH2 3.79Å; E332-R427 PolarHBondContact OE2-NH2 3.14Å
333	S	97.6	Very high	96.5	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.049	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.3	170.2	65	0	0	0	0	111.7	M321 R323 E424 V425	M321-S333 PolarHBondContact N-O 3.45Å; M321-S333 PolarHBondContact O-N 3.08Å; R323-S333 WeakPolarHBondContact CD-OG 3.46Å; R323-S333 WeakPolarHBondContact CG-OG 3.47Å; S333-E424 WeakPolarHBondContact CB-OE2 3.42Å; S333-V425 CarbonylContact C-O 3.59Å; S333-V425 VanDerWaalsContact CA-O 3.31Å; S333-V425 WeakPolarHBondContact CA-O 3.36Å
334	A	97.4	Very high	96.5	Very high	11 Å²	11	36.2 Å²	36.2	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.4	-178.7	0	0	0	0	0	111	I318 W320 V336 L339 V425	I318-A334 HydrophobicContact CG2-CB 3.65Å; W320-A334 HydrophobicContact CE3-CB 3.98Å; W320-A334 HydrophobicContact CH2-CB 4.08Å; W320-A334 HydrophobicContact CZ3-CB 3.69Å; A334-V336 PolarHBondContact O-N 2.74Å; A334-L339 HydrophobicContact CB-CD2 3.64Å; A334-V425 HydrophobicContact CB-CB 4.01Å; A334-V425 HydrophobicContact CB-CG1 4.26Å; A334-V425 PolarHBondContact N-O 3.17Å
335	S	95.4	Very high	96.5	Very high	13 Å²	13	36.4 Å²	36.4	9%	0.091	20%	0.201	C	C	.	.			trans	-74.7	123.9	167.6	-159.6	0	0	0	0	110.1	R319 D337 S338	R319-S335 PolarHBondContact NH2-OG 2.97Å; R319-S335 WeakPolarHBondContact O-CB 3.45Å; R319-S335 PolarHBondContact O-N 3.38Å; S335-D337 VanDerWaalsContact C-N 3.25Å; S335-D337 VanDerWaalsContact CB-OD1 3.25Å; S335-D337 WeakPolarHBondContact CB-OD1 3.33Å; S335-D337 PolarHBondContact O-N 2.97Å; S335-D337 PolarHBondContact OG-OD1 2.94Å; S335-S338 PolarHBondContact O-N 2.85Å; S335-S338 PolarHBondContact O-OG 2.81Å
336	V	91.4	Very high	96.5	Very high	94 Å²	94	35.6 Å²	35.6	57%	0.57	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-57.6	-35.8	-173.5	179.6	0	0	0	0	112.8	A334 S338 L339	A334-V336 PolarHBondContact O-N 2.74Å; V336-S338 PolarHBondContact O-N 3.45Å; V336-L339 HydrophobicContact CG1-CD1 4.44Å; V336-L339 PolarHBondContact O-N 2.65Å
337	D	93.6	Very high	96.4	Very high	118 Å²	118	36.7 Å²	36.7	63%	0.631	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-69.2	-10.1	177	62.5	-39.8	0	0	0	114.5	R319 S335	R319-D337 IonicContact CZ-OD1 3.87Å; R319-D337 IonicContact CZ-OD2 2.7Å; R319-D337 IonicContact NH1-OD2 3.33Å; R319-D337 VanDerWaalsContact NH2-CG 3.29Å; R319-D337 IonicContact NH2-OD1 3.06Å; R319-D337 PolarHBondContact NH2-OD1 3.2Å; R319-D337 IonicContact NH2-OD2 3.61Å; R319-D337 PolarHBondContact NH2-OD2 3.37Å; S335-D337 VanDerWaalsContact C-N 3.25Å; S335-D337 VanDerWaalsContact CB-OD1 3.25Å; S335-D337 WeakPolarHBondContact CB-OD1 3.33Å; S335-D337 PolarHBondContact O-N 2.97Å; S335-D337 PolarHBondContact OG-OD1 2.94Å
338	S	95.6	Very high	96.3	Very high	26 Å²	26	38.5 Å²	38.5	18%	0.182	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-108	-0.3	179.7	71.3	0	0	0	0	113.9	R319 S335 V336	R319-S338 PolarHBondContact N-OG 3.44Å; S335-S338 PolarHBondContact O-N 2.85Å; S335-S338 PolarHBondContact O-OG 2.81Å; V336-S338 PolarHBondContact O-N 3.45Å
339	L	96.3	Very high	96.3	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.089	20%	0.203	C	C	.	.			trans	-68.7	131.1	-178.1	-67.7	179.4	0	0	0	110.7	A334 V336 V343 S344 V425	A334-L339 HydrophobicContact CB-CD2 3.64Å; V336-L339 HydrophobicContact CG1-CD1 4.44Å; V336-L339 PolarHBondContact O-N 2.65Å; L339-V343 HydrophobicContact CB-CB 4.48Å; L339-V343 HydrophobicContact CD1-CG1 4.48Å; L339-V343 HydrophobicContact CD2-CG1 3.92Å; L339-S344 VanDerWaalsContact CB-OG 3.26Å; L339-S344 WeakPolarHBondContact CB-OG 3.47Å; L339-S344 PolarHBondContact O-OG 2.93Å; L339-V425 HydrophobicContact CD1-CG2 4.32Å; L339-V425 HydrophobicContact CD2-CG2 4.33Å
340	P	96.6	Very high	96.3	Very high	27 Å²	27	37.4 Å²	37.4	18%	0.175	20%	0.203	C	C	.	.			trans	-54.8	153.4	168.4	-25.1	33.3	0	0	0	111.4	A312 I318 C342 V343 S344	A312-P340 HydrophobicContact CB-CB 4.06Å; A312-P340 HydrophobicContact CB-CG 4.17Å; I318-P340 HydrophobicContact CD1-CG 4.28Å; I318-P340 HydrophobicContact CG1-CG 4.11Å; P340-C342 VanDerWaalsContact C-N 3.34Å; P340-C342 PolarHBondContact O-N 3.41Å; P340-V343 HydrophobicContact CB-CG2 4.19Å; P340-V343 HydrophobicContact CG-CG2 4.23Å; P340-V343 PolarHBondContact O-N 2.94Å; P340-S344 PolarHBondContact O-N 3.41Å; P340-S344 PolarHBondContact O-OG 3.35Å
341	E	96.1	Very high	96.2	Very high	151 Å²	151	38.9 Å²	38.9	71%	0.706	21%	0.206	S	C	*	.	H	α-helix	trans	-53.6	-47.8	-174.6	-174.3	66.7	-174.1	0	0	112.5	V343 S344 V345	E341-V343 VanDerWaalsContact C-N 3.31Å; E341-V343 PolarHBondContact O-N 2.93Å; E341-S344 WeakPolarHBondContact O-CB 3.35Å; E341-S344 PolarHBondContact O-N 3.15Å; E341-V345 HydrophobicContact CG-CG2 4.44Å; E341-V345 WeakPolarHBondContact O-CG2 3.35Å; E341-V345 PolarHBondContact O-N 3.43Å
342	C	96.6	Very high	96.2	Very high	16 Å²	16	37.8 Å²	37.8	11%	0.108	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-36.1	179.8	62.1	0	0	0	0	112.9	W271 E308 A312 P340 C346	W271-C342 WeakPolarHBondContact CH2-O 3.45Å; E308-C342 HydrophobicContact CG-CB 3.73Å; E308-C342 WeakPolarHBondContact OE1-CB 3.28Å; A312-C342 WeakPolarHBondContact CB-SG 3.35Å; P340-C342 VanDerWaalsContact C-N 3.34Å; P340-C342 PolarHBondContact O-N 3.41Å; C342-C346 WeakPolarHBondContact O-CB 3.38Å; C342-C346 PolarHBondContact O-N 2.94Å
343	V	97.3	Very high	96.1	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.036	20%	0.201	C	C	.	.	H	α-helix	trans	-70.9	-40.5	176.6	-173.6	0	0	0	0	110	V309 A312 L313 L339 P340 E341 C346 W347 V425	V309-V343 HydrophobicContact CG1-CG2 4.36Å; A312-V343 HydrophobicContact CB-CG2 3.72Å; L313-V343 HydrophobicContact CD2-CG1 3.92Å; L313-V343 HydrophobicContact CD2-CG2 4.16Å; L313-V343 HydrophobicContact CG-CG2 4.19Å; L339-V343 HydrophobicContact CB-CB 4.48Å; L339-V343 HydrophobicContact CD1-CG1 4.48Å; L339-V343 HydrophobicContact CD2-CG1 3.92Å; P340-V343 HydrophobicContact CB-CG2 4.19Å; P340-V343 HydrophobicContact CG-CG2 4.23Å; P340-V343 PolarHBondContact O-N 2.94Å; E341-V343 VanDerWaalsContact C-N 3.31Å; E341-V343 PolarHBondContact O-N 2.93Å; V343-C346 PolarHBondContact O-N 2.84Å; V343-W347 WeakPolarHBondContact O-CB 3.36Å; V343-W347 PolarHBondContact O-N 2.89Å; V343-V425 HydrophobicContact CG1-CG2 4.4Å
344	S	95.8	Very high	96.1	Very high	28 Å²	28	37.8 Å²	37.8	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-43.6	175	-65.5	0	0	0	0	111.9	L339 P340 E341 W347 E348	L339-S344 VanDerWaalsContact CB-OG 3.26Å; L339-S344 WeakPolarHBondContact CB-OG 3.47Å; L339-S344 PolarHBondContact O-OG 2.93Å; P340-S344 PolarHBondContact O-N 3.41Å; P340-S344 PolarHBondContact O-OG 3.35Å; E341-S344 WeakPolarHBondContact O-CB 3.35Å; E341-S344 PolarHBondContact O-N 3.15Å; S344-W347 WeakPolarHBondContact O-CB 3.34Å; S344-W347 PolarHBondContact O-N 2.92Å; S344-E348 WeakPolarHBondContact O-CG 3.47Å; S344-E348 PolarHBondContact O-N 3.48Å
345	V	96.4	Very high	96.1	Very high	39 Å²	39	37.2 Å²	37.2	24%	0.236	20%	0.198	C	C	.	.	H	α-helix	trans	-70.2	-37.7	177.8	-179	0	0	0	0	111.4	W271 E341 W347 E348 L349	W271-V345 HydrophobicContact CH2-CB 4.42Å; W271-V345 HydrophobicContact CH2-CG1 4.48Å; W271-V345 HydrophobicContact CZ2-CB 3.77Å; W271-V345 HydrophobicContact CZ2-CG1 3.42Å; W271-V345 VanDerWaalsContact CZ2-CG1 3.42Å; E341-V345 HydrophobicContact CG-CG2 4.44Å; E341-V345 WeakPolarHBondContact O-CG2 3.35Å; E341-V345 PolarHBondContact O-N 3.43Å; V345-W347 VanDerWaalsContact C-N 3.29Å; V345-W347 PolarHBondContact O-N 3.03Å; V345-E348 PolarHBondContact O-N 3.22Å; V345-L349 PolarHBondContact O-N 2.78Å
346	C	97.4	Very high	96.2	Very high	6 Å²	6	37 Å²	37	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-38.8	171	-170.3	0	0	0	0	111.6	W271 V309 C342 V343 L349 L350	W271-C346 HydrophobicContact CE3-CB 4.29Å; W271-C346 HydrophobicContact CH2-CB 3.91Å; W271-C346 HydrophobicContact CZ3-CB 3.63Å; V309-C346 HydrophobicContact CG2-CB 3.89Å; C342-C346 WeakPolarHBondContact O-CB 3.38Å; C342-C346 PolarHBondContact O-N 2.94Å; V343-C346 PolarHBondContact O-N 2.84Å; C346-L349 WeakPolarHBondContact O-CB 3.49Å; C346-L349 PolarHBondContact O-N 2.7Å; C346-L350 PolarHBondContact O-N 2.74Å
347	W	95.1	Very high	96.5	Very high	43 Å²	43	35 Å²	35	16%	0.163	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-38.8	173.9	-178.4	-115.3	0	0	0	112.3	V343 S344 V345 L350 R351 G423 V425	V343-W347 WeakPolarHBondContact O-CB 3.36Å; V343-W347 PolarHBondContact O-N 2.89Å; S344-W347 WeakPolarHBondContact O-CB 3.34Å; S344-W347 PolarHBondContact O-N 2.92Å; V345-W347 VanDerWaalsContact C-N 3.29Å; V345-W347 PolarHBondContact O-N 3.03Å; W347-L350 PolarHBondContact O-N 3.16Å; W347-R351 HydrophobicContact CZ2-CG 4.44Å; W347-R351 WeakPolarHBondContact O-CG 3.42Å; W347-R351 PolarHBondContact O-N 2.71Å; W347-G423 WeakPolarHBondContact CH2-O 3.46Å; W347-V425 HydrophobicContact CE3-CG2 4.37Å
348	E	95.2	Very high	96.7	Very high	67 Å²	67	29.6 Å²	29.6	31%	0.313	15%	0.152	S	C	.	.	H	α-helix	trans	-64.5	-38.8	173.2	-74	-169.8	-167.7	0	0	112.7	L261 R263 S344 V345 R351 S352	L261-E348 HydrophobicContact CD1-CB 4.4Å; L261-E348 HydrophobicContact CD1-CG 4.13Å; R263-E348 IonicContact CZ-OE2 2.81Å; R263-E348 IonicContact NE-OE2 2.67Å; R263-E348 PolarHBondContact NE-OE2 3.33Å; R263-E348 IonicContact NH2-OE1 3.47Å; R263-E348 IonicContact NH2-OE2 3.69Å; R263-E348 PolarHBondContact NH2-OE2 2.84Å; S344-E348 WeakPolarHBondContact O-CG 3.47Å; S344-E348 PolarHBondContact O-N 3.48Å; V345-E348 PolarHBondContact O-N 3.22Å; E348-R351 CarbonylContact O-C 3.53Å; E348-R351 PolarHBondContact O-N 2.77Å; E348-R351 VanDerWaalsContact O-N 3.16Å; E348-S352 PolarHBondContact O-N 2.57Å
349	L	97.4	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54	-54.8	173.2	164	72.2	0	0	0	110.6	V267 L268 W271 V272 L301 V345 C346 R351 S352 F355	V267-L349 HydrophobicContact CG1-CD1 4.08Å; V267-L349 HydrophobicContact CG2-CB 4.12Å; V267-L349 HydrophobicContact CG2-CD1 4Å; L268-L349 HydrophobicContact CD2-CD1 3.8Å; W271-L349 HydrophobicContact CB-CD1 4.26Å; W271-L349 HydrophobicContact CB-CD2 3.48Å; W271-L349 VanDerWaalsContact CB-CD2 3.48Å; W271-L349 HydrophobicContact CB-CG 4.42Å; W271-L349 HydrophobicContact CD2-CD2 4.25Å; W271-L349 HydrophobicContact CE3-CD2 4.38Å; W271-L349 HydrophobicContact CG-CD2 3.89Å; V272-L349 HydrophobicContact CG2-CD1 4.32Å; L301-L349 HydrophobicContact CD2-CD2 3.94Å; V345-L349 PolarHBondContact O-N 2.78Å; C346-L349 WeakPolarHBondContact O-CB 3.49Å; C346-L349 PolarHBondContact O-N 2.7Å; L349-R351 PolarHBondContact O-N 3.42Å; L349-S352 WeakPolarHBondContact O-CB 3.17Å; L349-S352 PolarHBondContact O-N 3.42Å; L349-S352 PolarHBondContact O-OG 3.34Å; L349-F355 HydrophobicContact CD1-CD2 4.17Å; L349-F355 HydrophobicContact CG-CD2 4.38Å; L349-F355 WeakPolarHBondContact O-CB 3.15Å
350	L	96.8	Very high	96.8	Very high	30 Å²	30	28.4 Å²	28.4	16%	0.157	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-14.8	-177.6	-61.1	178.6	0	0	0	113.2	C346 W347 F355 L450	C346-L350 PolarHBondContact O-N 2.74Å; W347-L350 PolarHBondContact O-N 3.16Å; L350-F355 HydrophobicContact CD2-CD1 4.46Å; L350-F355 HydrophobicContact CD2-CE1 3.77Å; L350-F355 HydrophobicContact CD2-CE2 4Å; L350-F355 HydrophobicContact CD2-CZ 3.51Å; L350-L450 HydrophobicContact CD1-CD2 4.44Å; L350-L450 HydrophobicContact CD2-CD2 4.46Å
351	R	96.2	Very high	96.8	Very high	49 Å²	49	29.8 Å²	29.8	19%	0.185	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-0	176.9	-65.9	-177.7	64.3	-168.9	2.6	113.7	H260 L261 W347 E348 L349	H260-R351 CarbonylContact C-O 3.55Å; H260-R351 VanDerWaalsContact CA-O 3.32Å; H260-R351 WeakPolarHBondContact CA-O 3.29Å; L261-R351 HydrophobicContact CD1-CB 3.99Å; L261-R351 HydrophobicContact CG-CB 4.21Å; L261-R351 PolarHBondContact N-O 3.34Å; W347-R351 HydrophobicContact CZ2-CG 4.44Å; W347-R351 WeakPolarHBondContact O-CG 3.42Å; W347-R351 PolarHBondContact O-N 2.71Å; E348-R351 CarbonylContact O-C 3.53Å; E348-R351 PolarHBondContact O-N 2.77Å; E348-R351 VanDerWaalsContact O-N 3.16Å; L349-R351 PolarHBondContact O-N 3.42Å
352	S	97.4	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-73.8	150.2	-174.6	63.1	0	0	0	0	112.9	L261 E348 L349 A354 F355 F356	L261-S352 CarbonylContact O-C 3.3Å; E348-S352 PolarHBondContact O-N 2.57Å; L349-S352 WeakPolarHBondContact O-CB 3.17Å; L349-S352 PolarHBondContact O-N 3.42Å; L349-S352 PolarHBondContact O-OG 3.34Å; S352-A354 VanDerWaalsContact C-N 3.27Å; S352-A354 PolarHBondContact O-N 2.96Å; S352-F355 PolarHBondContact O-N 3.16Å; S352-F355 VanDerWaalsContact O-N 3.1Å; S352-F355 WeakPolarHBondContact OG-CB 3.44Å; S352-F355 PolarHBondContact OG-N 3.47Å; S352-F355 VanDerWaalsContact OG-N 3.14Å; S352-F356 VanDerWaalsContact O-CD2 3.25Å; S352-F356 WeakPolarHBondContact O-CD2 3.15Å; S352-F356 PolarHBondContact O-N 3.21Å
353	E	96.8	Very high	97	Very high	42 Å²	42	22.1 Å²	22.1	20%	0.196	11%	0.113	C	C	.	.	H	α-helix	trans	-54.5	-44.8	172.2	-175.8	175.5	-179.9	0	0	111.3	H260 L261 F355 F356 L357 H368 Y369	H260-E353 HydrophobicContact CB-CB 4.31Å; L261-E353 WeakPolarHBondContact O-CB 3.24Å; L261-E353 PolarHBondContact O-N 3.41Å; E353-F355 VanDerWaalsContact C-N 3.32Å; E353-F355 PolarHBondContact O-N 2.93Å; E353-F356 WeakPolarHBondContact O-CB 3.43Å; E353-F356 PolarHBondContact O-N 3.06Å; E353-L357 PolarHBondContact O-N 3.49Å; E353-L357 VanDerWaalsContact O-N 3.11Å; E353-H368 WeakPolarHBondContact CG-NE2 3.31Å; E353-H368 IonicContact OE1-CE1 2.57Å; E353-H368 IonicContact OE1-NE2 3.75Å; E353-H368 PolarHBondContact OE1-NE2 2.9Å; E353-Y369 VanDerWaalsContact OE1-CE1 3.28Å; E353-Y369 WeakPolarHBondContact OE1-CE1 3.42Å; E353-Y369 PolarHBondContact OE1-OH 3.25Å
354	A	96.9	Very high	96.9	Very high	10 Å²	10	23.2 Å²	23.2	8%	0.083	13%	0.125	C	C	.	.	H	α-helix	trans	-59.2	-39.8	175.4	0	0	0	0	0	113.1	R263 V267 L268 S352 L357 L358	R263-A354 PolarHBondContact O-N 2.87Å; V267-A354 HydrophobicContact CG1-CB 4.35Å; L268-A354 HydrophobicContact CD1-CB 3.9Å; L268-A354 HydrophobicContact CD2-CB 4.38Å; L268-A354 HydrophobicContact CG-CB 3.89Å; S352-A354 VanDerWaalsContact C-N 3.27Å; S352-A354 PolarHBondContact O-N 2.96Å; A354-L357 PolarHBondContact O-N 2.94Å; A354-L358 PolarHBondContact O-N 3.2Å
355	F	97.9	Very high	96.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.2	-34.5	178.2	-165.9	-99.7	0	0	0	112.6	L268 F300 L349 L350 S352 E353 L357 L358 L359 L450 L488	L268-F355 HydrophobicContact CD2-CB 4.26Å; L268-F355 HydrophobicContact CD2-CD2 4Å; F300-F355 AromaticContact CE1-CE2 3.79Å; F300-F355 HydrophobicContact CE1-CE2 3.79Å; F300-F355 HydrophobicContact CE1-CZ 4.22Å; F300-F355 AromaticContact CZ-CE2 3.68Å; F300-F355 HydrophobicContact CZ-CE2 3.68Å; F300-F355 HydrophobicContact CZ-CZ 4.18Å; L349-F355 HydrophobicContact CD1-CD2 4.17Å; L349-F355 HydrophobicContact CG-CD2 4.38Å; L349-F355 WeakPolarHBondContact O-CB 3.15Å; L350-F355 HydrophobicContact CD2-CD1 4.46Å; L350-F355 HydrophobicContact CD2-CE1 3.77Å; L350-F355 HydrophobicContact CD2-CE2 4Å; L350-F355 HydrophobicContact CD2-CZ 3.51Å; S352-F355 PolarHBondContact O-N 3.16Å; S352-F355 VanDerWaalsContact O-N 3.1Å; S352-F355 WeakPolarHBondContact OG-CB 3.44Å; S352-F355 PolarHBondContact OG-N 3.47Å; S352-F355 VanDerWaalsContact OG-N 3.14Å; E353-F355 VanDerWaalsContact C-N 3.32Å; E353-F355 PolarHBondContact O-N 2.93Å; F355-L357 VanDerWaalsContact C-N 3.3Å; F355-L357 PolarHBondContact O-N 2.91Å; F355-L358 HydrophobicContact CD2-CD2 4.17Å; F355-L358 HydrophobicContact CE2-CD2 4.26Å; F355-L358 WeakPolarHBondContact O-CB 3.48Å; F355-L358 PolarHBondContact O-N 3.43Å; F355-L359 HydrophobicContact CD1-CD1 3.93Å; F355-L359 HydrophobicContact CD1-CG 4.01Å; F355-L359 HydrophobicContact CE1-CD1 3.76Å; F355-L359 HydrophobicContact CE1-CD2 3.91Å; F355-L359 HydrophobicContact CE1-CG 3.79Å; F355-L359 HydrophobicContact CZ-CD2 4.18Å; F355-L359 HydrophobicContact CZ-CG 4.44Å; F355-L359 WeakPolarHBondContact O-CG 3.44Å; F355-L359 PolarHBondContact O-N 3.19Å; F355-L450 HydrophobicContact CE1-CD1 3.5Å; F355-L450 VanDerWaalsContact CE1-CD1 3.5Å; F355-L450 HydrophobicContact CZ-CD1 3.86Å; F355-L488 HydrophobicContact CZ-CD2 4.33Å
356	F	97.6	Very high	96.7	Very high	9 Å²	9	25.8 Å²	25.8	4%	0.039	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-39.8	171.9	-85.1	-126.2	0	0	0	111.6	H260 S352 E353 S360 L367 P419 C421	H260-F356 HydrophobicContact CB-CD1 4.13Å; H260-F356 HydrophobicContact CB-CD2 3.81Å; H260-F356 HydrophobicContact CB-CE1 4.18Å; H260-F356 HydrophobicContact CB-CE2 3.86Å; H260-F356 HydrophobicContact CB-CG 3.93Å; H260-F356 HydrophobicContact CB-CZ 4.03Å; S352-F356 VanDerWaalsContact O-CD2 3.25Å; S352-F356 WeakPolarHBondContact O-CD2 3.15Å; S352-F356 PolarHBondContact O-N 3.21Å; E353-F356 WeakPolarHBondContact O-CB 3.43Å; E353-F356 PolarHBondContact O-N 3.06Å; F356-S360 PolarHBondContact O-N 3.26Å; F356-S360 PolarHBondContact O-OG 3.36Å; F356-L367 HydrophobicContact CD1-CB 4.35Å; F356-L367 WeakPolarHBondContact CD1-O 3.37Å; F356-P419 HydrophobicContact CD1-CB 4.01Å; F356-P419 HydrophobicContact CE1-CB 4.08Å; F356-C421 HydrophobicContact CE2-CB 4.29Å; F356-C421 HydrophobicContact CZ-CB 3.66Å
357	L	96.4	Very high	96.5	Very high	51 Å²	51	27.4 Å²	27.4	27%	0.267	14%	0.137	S	C	.	.	H	α-helix	trans	-65.2	-42.6	173.5	-178.7	59.7	0	0	0	111.5	E353 A354 F355 L359 S360 N361 H368 L370	E353-L357 PolarHBondContact O-N 3.49Å; E353-L357 VanDerWaalsContact O-N 3.11Å; A354-L357 PolarHBondContact O-N 2.94Å; F355-L357 VanDerWaalsContact C-N 3.3Å; F355-L357 PolarHBondContact O-N 2.91Å; L357-L359 PolarHBondContact O-N 3.26Å; L357-S360 WeakPolarHBondContact O-CB 3.34Å; L357-S360 PolarHBondContact O-N 2.88Å; L357-S360 VanDerWaalsContact O-N 3.14Å; L357-N361 PolarHBondContact O-N 3.33Å; L357-N361 PolarHBondContact O-OD1 2.86Å; L357-H368 HydrophobicContact CB-CB 4.11Å; L357-H368 HydrophobicContact CD1-CB 4Å; L357-L370 HydrophobicContact CD1-CB 4.43Å; L357-L370 HydrophobicContact CD2-CD1 4.4Å
358	L	97.8	Very high	96.4	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-45.5	175.7	-177.1	64.2	0	0	0	112	L268 V272 L277 Q282 F300 A354 F355 S360 N361 F362	L268-L358 HydrophobicContact CD1-CB 4.33Å; L268-L358 HydrophobicContact CD1-CD2 4.48Å; L268-L358 HydrophobicContact CD2-CD2 4.15Å; V272-L358 HydrophobicContact CG1-CD2 4.5Å; L277-L358 HydrophobicContact CD2-CD1 4.32Å; L277-L358 HydrophobicContact CD2-CD2 4.36Å; Q282-L358 VanDerWaalsContact NE2-CD1 3.34Å; F300-L358 HydrophobicContact CZ-CD2 4.34Å; A354-L358 PolarHBondContact O-N 3.2Å; F355-L358 HydrophobicContact CD2-CD2 4.17Å; F355-L358 HydrophobicContact CE2-CD2 4.26Å; F355-L358 WeakPolarHBondContact O-CB 3.48Å; F355-L358 PolarHBondContact O-N 3.43Å; L358-S360 VanDerWaalsContact C-N 3.28Å; L358-S360 PolarHBondContact O-N 3.22Å; L358-N361 WeakPolarHBondContact O-CB 3.39Å; L358-N361 PolarHBondContact O-N 3.07Å; L358-N361 VanDerWaalsContact O-N 3.17Å; L358-F362 HydrophobicContact CD1-CE1 3.86Å; L358-F362 HydrophobicContact CD1-CE2 4.02Å; L358-F362 HydrophobicContact CD1-CZ 3.52Å; L358-F362 HydrophobicContact CD2-CE2 3.89Å; L358-F362 HydrophobicContact CD2-CZ 3.93Å; L358-F362 HydrophobicContact CG-CD2 4.22Å; L358-F362 HydrophobicContact CG-CE1 4.33Å; L358-F362 HydrophobicContact CG-CE2 3.57Å; L358-F362 HydrophobicContact CG-CZ 3.61Å; L358-F362 WeakPolarHBondContact O-CG 3.48Å; L358-F362 PolarHBondContact O-N 3.49Å
359	L	98.1	Very high	96	Very high	15 Å²	15	29.2 Å²	29.2	8%	0.079	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-36.9	175.2	-68.8	179.2	0	0	0	112	F355 L357 N361 F362 T363 L367 L448 L450 L490	F355-L359 HydrophobicContact CD1-CD1 3.93Å; F355-L359 HydrophobicContact CD1-CG 4.01Å; F355-L359 HydrophobicContact CE1-CD1 3.76Å; F355-L359 HydrophobicContact CE1-CD2 3.91Å; F355-L359 HydrophobicContact CE1-CG 3.79Å; F355-L359 HydrophobicContact CZ-CD2 4.18Å; F355-L359 HydrophobicContact CZ-CG 4.44Å; F355-L359 WeakPolarHBondContact O-CG 3.44Å; F355-L359 PolarHBondContact O-N 3.19Å; L357-L359 PolarHBondContact O-N 3.26Å; L359-N361 VanDerWaalsContact C-N 3.31Å; L359-N361 PolarHBondContact O-N 3.02Å; L359-F362 HydrophobicContact CD2-CD2 4.36Å; L359-F362 PolarHBondContact O-N 2.86Å; L359-T363 WeakPolarHBondContact O-CB 3.43Å; L359-T363 WeakPolarHBondContact O-CG2 3.36Å; L359-T363 PolarHBondContact O-N 2.93Å; L359-T363 VanDerWaalsContact O-N 3.1Å; L359-T363 PolarHBondContact O-OG1 2.7Å; L359-L367 HydrophobicContact CB-CD1 3.72Å; L359-L367 HydrophobicContact CD1-CD1 4.27Å; L359-L448 HydrophobicContact CB-CD2 4.38Å; L359-L448 HydrophobicContact CD1-CD2 4.32Å; L359-L448 HydrophobicContact CD2-CD2 4.47Å; L359-L450 HydrophobicContact CD1-CD1 4.29Å; L359-L450 HydrophobicContact CD2-CD1 4.19Å; L359-L490 HydrophobicContact CD2-CD1 3.9Å; L359-L490 HydrophobicContact CD2-CD2 3.8Å
360	S	97.1	Very high	95.5	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-42.5	175.3	-50.7	0	0	0	0	111	F356 L357 L358 F362 T363 G364 L365 L367 H368 C371	F356-S360 PolarHBondContact O-N 3.26Å; F356-S360 PolarHBondContact O-OG 3.36Å; L357-S360 WeakPolarHBondContact O-CB 3.34Å; L357-S360 PolarHBondContact O-N 2.88Å; L357-S360 VanDerWaalsContact O-N 3.14Å; L358-S360 VanDerWaalsContact C-N 3.28Å; L358-S360 PolarHBondContact O-N 3.22Å; S360-F362 VanDerWaalsContact C-N 3.33Å; S360-F362 PolarHBondContact O-N 2.69Å; S360-T363 PolarHBondContact O-N 2.93Å; S360-G364 WeakPolarHBondContact O-CA 3.47Å; S360-G364 PolarHBondContact O-N 2.89Å; S360-L365 WeakPolarHBondContact CA-O 3.24Å; S360-L365 WeakPolarHBondContact CB-O 3.45Å; S360-L365 PolarHBondContact OG-O 2.87Å; S360-L367 WeakPolarHBondContact OG-CA 3.49Å; S360-L367 WeakPolarHBondContact OG-CB 3.42Å; S360-L367 PolarHBondContact OG-N 2.78Å; S360-L367 VanDerWaalsContact OG-N 3.15Å; S360-H368 PolarHBondContact OG-N 3.24Å; S360-C371 WeakPolarHBondContact CB-SG 3.45Å
361	N	96.9	Very high	94.8	Very high	56 Å²	56	34.1 Å²	34.1	30%	0.299	17%	0.169	S	C	.	.	H	α-helix	trans	-67.1	-31.8	176.3	-63.5	-4.9	0	0	0	112.9	Q282 Q286 L357 L358 L359	Q282-N361 PolarHBondContact OE1-ND2 2.83Å; Q286-N361 WeakPolarHBondContact CB-O 3.41Å; Q286-N361 PolarHBondContact OE1-O 2.85Å; L357-N361 PolarHBondContact O-N 3.33Å; L357-N361 PolarHBondContact O-OD1 2.86Å; L358-N361 WeakPolarHBondContact O-CB 3.39Å; L358-N361 PolarHBondContact O-N 3.07Å; L358-N361 VanDerWaalsContact O-N 3.17Å; L359-N361 VanDerWaalsContact C-N 3.31Å; L359-N361 PolarHBondContact O-N 3.02Å
362	F	98.3	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-76.6	-23.1	177.4	-69.5	-27.8	0	0	0	114.1	Q282 I285 Q286 F289 L297 F300 L358 L359 S360 L490	Q282-F362 HydrophobicContact CG-CD1 4.06Å; Q282-F362 HydrophobicContact CG-CE1 3.72Å; I285-F362 HydrophobicContact CB-CD1 4.14Å; I285-F362 HydrophobicContact CD1-CD1 3.96Å; I285-F362 HydrophobicContact CD1-CE1 3.74Å; I285-F362 HydrophobicContact CG2-CB 3.71Å; I285-F362 HydrophobicContact CG2-CD1 3.56Å; I285-F362 HydrophobicContact CG2-CE1 4.4Å; I285-F362 HydrophobicContact CG2-CG 3.81Å; Q286-F362 VanDerWaalsContact CA-O 3.26Å; Q286-F362 WeakPolarHBondContact CA-O 3.26Å; F289-F362 WeakPolarHBondContact CB-O 3.38Å; L297-F362 HydrophobicContact CD1-CD2 4.1Å; L297-F362 HydrophobicContact CD1-CE2 3.83Å; L297-F362 HydrophobicContact CD1-CZ 4.12Å; F300-F362 AromaticContact CE2-CE2 4Å; F300-F362 HydrophobicContact CE2-CE2 4Å; F300-F362 HydrophobicContact CE2-CZ 4.29Å; F300-F362 HydrophobicContact CZ-CE2 4.48Å; L358-F362 HydrophobicContact CD1-CE1 3.86Å; L358-F362 HydrophobicContact CD1-CE2 4.02Å; L358-F362 HydrophobicContact CD1-CZ 3.52Å; L358-F362 HydrophobicContact CD2-CE2 3.89Å; L358-F362 HydrophobicContact CD2-CZ 3.93Å; L358-F362 HydrophobicContact CG-CD2 4.22Å; L358-F362 HydrophobicContact CG-CE1 4.33Å; L358-F362 HydrophobicContact CG-CE2 3.57Å; L358-F362 HydrophobicContact CG-CZ 3.61Å; L358-F362 WeakPolarHBondContact O-CG 3.48Å; L358-F362 PolarHBondContact O-N 3.49Å; L359-F362 HydrophobicContact CD2-CD2 4.36Å; L359-F362 PolarHBondContact O-N 2.86Å; S360-F362 VanDerWaalsContact C-N 3.33Å; S360-F362 PolarHBondContact O-N 2.69Å; F362-L490 HydrophobicContact CB-CD1 4.33Å; F362-L490 HydrophobicContact CD2-CD1 4.07Å
363	T	97.6	Very high	91.9	Very high	6 Å²	6	40 Å²	40	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-124.4	-11	-164.8	60.5	0	0	0	0	114	F289 L359 S360 L365 L448 L490	F289-T363 HydrophobicContact CD1-CG2 3.8Å; F289-T363 HydrophobicContact CD2-CG2 4.13Å; F289-T363 HydrophobicContact CE1-CG2 3.6Å; F289-T363 HydrophobicContact CE2-CG2 3.95Å; F289-T363 HydrophobicContact CG-CG2 4.05Å; F289-T363 HydrophobicContact CZ-CG2 3.66Å; L359-T363 WeakPolarHBondContact O-CB 3.43Å; L359-T363 WeakPolarHBondContact O-CG2 3.36Å; L359-T363 PolarHBondContact O-N 2.93Å; L359-T363 VanDerWaalsContact O-N 3.1Å; L359-T363 PolarHBondContact O-OG1 2.7Å; S360-T363 PolarHBondContact O-N 2.93Å; T363-L365 PolarHBondContact O-N 2.87Å; T363-L365 VanDerWaalsContact O-N 3.08Å; T363-L365 WeakPolarHBondContact OG1-CB 3.47Å; T363-L365 PolarHBondContact OG1-N 2.87Å; T363-L448 HydrophobicContact CG2-CD1 4.1Å; T363-L448 HydrophobicContact CG2-CD2 3.94Å; T363-L490 HydrophobicContact CG2-CD1 4.26Å
364	G	95.2	Very high	90.1	Very high	28 Å²	28	42.4 Å²	42.4	29%	0.289	23%	0.233	S	C	.	.			trans	71.5	-10.7	-168.4	0	0	0	0	0	113.6	Q286 S360	Q286-G364 VanDerWaalsContact NE2-CA 3.34Å; S360-G364 WeakPolarHBondContact O-CA 3.47Å; S360-G364 PolarHBondContact O-N 2.89Å
365	L	94.8	Very high	87.8	Confident	40 Å²	40	50.8 Å²	50.8	21%	0.209	27%	0.271	C	S	.	.			trans	-69.8	140.6	-179.3	-60.9	174.7	0	0	0	111.4	S360 T363 L367 L448 Y492	S360-L365 WeakPolarHBondContact CA-O 3.24Å; S360-L365 WeakPolarHBondContact CB-O 3.45Å; S360-L365 PolarHBondContact OG-O 2.87Å; T363-L365 PolarHBondContact O-N 2.87Å; T363-L365 VanDerWaalsContact O-N 3.08Å; T363-L365 WeakPolarHBondContact OG1-CB 3.47Å; T363-L365 PolarHBondContact OG1-N 2.87Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 HydrophobicContact CB-CD1 4.49Å; L365-L367 HydrophobicContact CB-CD2 4.47Å; L365-L367 HydrophobicContact CB-CG 4.1Å; L365-L367 PolarHBondContact O-N 2.94Å; L365-L448 HydrophobicContact CD1-CB 4.05Å; L365-L448 HydrophobicContact CD1-CD1 4.22Å; L365-L448 HydrophobicContact CD1-CD2 4.31Å; L365-L448 HydrophobicContact CD1-CG 4.43Å; L365-Y492 HydrophobicContact CD1-CD2 3.68Å; L365-Y492 HydrophobicContact CD1-CE2 3.98Å; L365-Y492 HydrophobicContact CD1-CG 4.45Å; L365-Y492 HydrophobicContact CD2-CD2 4.28Å; L365-Y492 HydrophobicContact CD2-CE2 3.94Å
366	R	93.4	Very high	85.4	Confident	82 Å²	82	58.7 Å²	58.7	31%	0.309	31%	0.307	S	S	.	.			trans	-79.2	76.3	176.8	-166.9	-179.5	175.7	179.5	2.9	112.6	C371	R366-C371 HydrophobicContact CG-CB 4.41Å
367	L	94.3	Very high	82.9	Confident	40 Å²	40	63.4 Å²	63.4	21%	0.209	33%	0.333	C	S	.	.			trans	-94.6	-2.1	175.1	-52	174.4	0	0	0	112.7	F356 L359 S360 L365 P419 L448	F356-L367 HydrophobicContact CD1-CB 4.35Å; F356-L367 WeakPolarHBondContact CD1-O 3.37Å; L359-L367 HydrophobicContact CB-CD1 3.72Å; L359-L367 HydrophobicContact CD1-CD1 4.27Å; S360-L367 WeakPolarHBondContact OG-CA 3.49Å; S360-L367 WeakPolarHBondContact OG-CB 3.42Å; S360-L367 PolarHBondContact OG-N 2.78Å; S360-L367 VanDerWaalsContact OG-N 3.15Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 HydrophobicContact CB-CD1 4.49Å; L365-L367 HydrophobicContact CB-CD2 4.47Å; L365-L367 HydrophobicContact CB-CG 4.1Å; L365-L367 PolarHBondContact O-N 2.94Å; L367-P419 VanDerWaalsContact C-CG 3.42Å; L367-P419 WeakPolarHBondContact O-CB 3.17Å; L367-P419 WeakPolarHBondContact O-CG 3.38Å; L367-L448 HydrophobicContact CD1-CD2 3.78Å
368	H	92.5	Very high	80.1	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.019	36%	0.36	C	S	.	.	S	Bend	trans	-139.7	150.5	176.3	-163.7	-97.3	0	0	0	112.4	E353 L357 S360 L370 C371	E353-H368 WeakPolarHBondContact CG-NE2 3.31Å; E353-H368 IonicContact OE1-CE1 2.57Å; E353-H368 IonicContact OE1-NE2 3.75Å; E353-H368 PolarHBondContact OE1-NE2 2.9Å; L357-H368 HydrophobicContact CB-CB 4.11Å; L357-H368 HydrophobicContact CD1-CB 4Å; S360-H368 PolarHBondContact OG-N 3.24Å; H368-L370 VanDerWaalsContact C-N 3.27Å; H368-L370 VanDerWaalsContact CE1-CG 3.49Å; H368-L370 WeakPolarHBondContact CE1-CG 3.19Å; H368-L370 WeakPolarHBondContact ND1-CB 3.35Å; H368-L370 PolarHBondContact ND1-N 3.16Å; H368-L370 PolarHBondContact O-N 3.27Å; H368-C371 PolarHBondContact O-N 3.41Å
369	Y	86.8	Confident	77.1	Confident	143 Å²	143	77.2 Å²	77.2	56%	0.561	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.2	-176.6	60.2	-93.7	0	0	0	114	E353 C371	E353-Y369 VanDerWaalsContact OE1-CE1 3.28Å; E353-Y369 WeakPolarHBondContact OE1-CE1 3.42Å; E353-Y369 PolarHBondContact OE1-OH 3.25Å; Y369-C371 VanDerWaalsContact C-N 3.33Å
370	L	86.9	Confident	74.2	Confident	116 Å²	116	80 Å²	80	61%	0.607	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.9	174.7	-65.3	175.1	0	0	0	113.1	L357 H368	L357-L370 HydrophobicContact CD1-CB 4.43Å; L357-L370 HydrophobicContact CD2-CD1 4.4Å; H368-L370 VanDerWaalsContact C-N 3.27Å; H368-L370 VanDerWaalsContact CE1-CG 3.49Å; H368-L370 WeakPolarHBondContact CE1-CG 3.19Å; H368-L370 WeakPolarHBondContact ND1-CB 3.35Å; H368-L370 PolarHBondContact ND1-N 3.16Å; H368-L370 PolarHBondContact O-N 3.27Å
371	C	81.8	Confident	71.8	Confident	18 Å²	18	86.7 Å²	86.7	12%	0.122	46%	0.459	C	S	.	.	S	Bend	trans	-73.9	140.1	176.7	-59.5	0	0	0	0	109.9	S360 R366 H368 Y369	S360-C371 WeakPolarHBondContact CB-SG 3.45Å; R366-C371 HydrophobicContact CG-CB 4.41Å; H368-C371 PolarHBondContact O-N 3.41Å; Y369-C371 VanDerWaalsContact C-N 3.33Å
372	P	69.2	Low	68.9	Low	110 Å²	110	89.7 Å²	89.7	71%	0.714	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-53.5	149.8	174	-20.1	31.2	0	0	0	111
373	A	63.2	Low	66	Low	61 Å²	61	98.8 Å²	98.8	50%	0.504	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-79.3	139.3	167.5	0	0	0	0	0	108.4
374	D	58.7	Low	62.9	Low	93 Å²	93	105.6 Å²	105.6	50%	0.497	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-67.1	137.5	174.1	-62.5	-39.6	0	0	0	109.2	E376 D377	D374-E376 PolarHBondContact O-N 2.79Å; D374-E376 VanDerWaalsContact O-N 3.14Å; D374-D377 PolarHBondContact O-N 3.21Å
375	E	49.2	Very low	59.9	Low	187 Å²	187	112.3 Å²	112.3	87%	0.874	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-62.7	-18.9	178.2	-64.7	-171.6	167.3	0	0	111.9
376	E	48.1	Very low	56.9	Low	165 Å²	165	120 Å²	120	77%	0.771	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-76.5	-17.9	178.6	-64.3	-170.8	171.4	0	0	114.2	D374 E378 E379	D374-E376 PolarHBondContact O-N 2.79Å; D374-E376 VanDerWaalsContact O-N 3.14Å; E376-E378 PolarHBondContact O-N 3.32Å; E376-E378 VanDerWaalsContact O-N 3.11Å; E376-E379 PolarHBondContact O-N 3.49Å
377	D	45.2	Very low	53.8	Low	108 Å²	108	125.6 Å²	125.6	58%	0.578	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-63.5	-14.8	174	-83.5	-24.8	0	0	0	112.3	D374	D374-D377 PolarHBondContact O-N 3.21Å
378	E	37.8	Very low	50.8	Low	180 Å²	180	133 Å²	133	84%	0.841	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-96	-17.1	177.2	-65.8	-155.9	167.1	0	0	114.6	E376	E376-E378 PolarHBondContact O-N 3.32Å; E376-E378 VanDerWaalsContact O-N 3.11Å
379	E	35.3	Very low	47.8	Very low	166 Å²	166	136.6 Å²	136.6	78%	0.776	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-13.2	-170.9	-66.5	-158	163.4	0	0	115.2	E376 E381	E376-E379 PolarHBondContact O-N 3.49Å; E379-E381 VanDerWaalsContact C-N 3.3Å; E379-E381 PolarHBondContact O-N 2.89Å
380	G	36.2	Very low	45.1	Very low	73 Å²	73	138.9 Å²	138.9	75%	0.753	73%	0.734	S	S	*	*	S	Bend	trans	-73.6	-7.1	-179.4	0	0	0	0	0	116.5
381	E	46.3	Very low	42.4	Very low	144 Å²	144	140.5 Å²	140.5	67%	0.673	75%	0.748	S	S	*	*			trans	-104.1	43.9	-172.9	-68.3	-159.2	171.2	0	0	114.8	E379 K414	E379-E381 VanDerWaalsContact C-N 3.3Å; E379-E381 PolarHBondContact O-N 2.89Å; E381-K414 IonicContact OE1-NZ 2.76Å; E381-K414 PolarHBondContact OE1-NZ 2.82Å; E381-K414 IonicContact OE2-NZ 3.75Å
382	T	36.1	Very low	39.9	Very low	119 Å²	119	144.5 Å²	144.5	73%	0.73	78%	0.783	S	S	*	*	S	Bend	trans	-145.3	78.9	160.4	49.1	0	0	0	0	113.4
383	K	37.7	Very low	37.9	Very low	191 Å²	191	143.1 Å²	143.1	83%	0.83	79%	0.788	S	S	*	*	S	Bend	trans	165.9	105.6	139.8	-92	156.6	-171.6	177.8	0	109.7
384	D	32.6	Very low	36.2	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	80%	0.803	S	S	*	*				160.8	98.5	121.9	-82.9	-18.5	0	0	0	107.8
385	D	31.6	Very low	34.9	Very low	168 Å²	168	147.2 Å²	147.2	90%	0.898	82%	0.815	S	S	*	*			trans	-173.1	77.8	147.3	-92.8	-23.2	0	0	0	107.7
386	K	31.6	Very low	33.9	Very low	201 Å²	201	142.7 Å²	142.7	87%	0.874	81%	0.81	S	S	*	*			trans	-138.6	94.3	157.1	-83.2	-166.8	178.7	-178.3	0	108.5
387	E	28.9	Very low	32.9	Very low	201 Å²	201	143.4 Å²	143.4	94%	0.939	81%	0.813	S	S	*	*			trans	-152.8	100.7	135.1	-110	175.4	-163.3	0	0	108.7
388	E	32.2	Very low	32.1	Very low	194 Å²	194	143.6 Å²	143.6	91%	0.907	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-76.7	132.5	172.1	-71.4	-178.9	151.7	0	0	110
389	G	28.7	Very low	32.1	Very low	80 Å²	80	140.5 Å²	140.5	83%	0.825	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-77.6	120.8	159	0	0	0	0	0	110.5
390	E	29.4	Very low	31.6	Very low	191 Å²	191	137.8 Å²	137.8	89%	0.893	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-63.4	133.1	167.9	-66.8	-177.5	142.5	0	0	111.5
391	V	30.7	Very low	31.3	Very low	151 Å²	151	140 Å²	140	92%	0.915	82%	0.822	S	S	*	*				-151.3	134.9	129.4	-160.3	0	0	0	0	110.8
392	A	29.4	Very low	30.4	Very low	102 Å²	102	138.7 Å²	138.7	84%	0.843	83%	0.829	S	S	*	*			trans	-70.5	158.9	-174.1	0	0	0	0	0	116.9
393	G	27.8	Very low	30.1	Very low	81 Å²	81	138.9 Å²	138.9	84%	0.835	83%	0.834	S	S	*	*			trans	178.1	93.9	164	0	0	0	0	0	114.6
394	T	27	Very low	29.6	Very low	131 Å²	131	135.5 Å²	135.5	80%	0.804	84%	0.835	S	S	*	*			trans	-66.4	144.3	-177.2	45.6	0	0	0	0	117
395	S	30.2	Very low	29.5	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	83%	0.834	S	S	*	*				154.4	115.9	110.8	-63.3	0	0	0	0	116.3
396	A	28.2	Very low	29.4	Very low	92 Å²	92	135.8 Å²	135.8	76%	0.76	84%	0.835	S	S	*	*				66.3	121.4	124.9	0	0	0	0	0	125.1
397	E	27.7	Very low	29.2	Very low	180 Å²	180	131 Å²	131	84%	0.841	83%	0.834	S	S	*	*			trans	97.2	96.8	132.5	-73.6	-179.5	-167.8	0	0	123.6
398	S	28	Very low	29.2	Very low	111 Å²	111	124.7 Å²	124.7	78%	0.776	82%	0.822	S	S	*	*				53.5	167.1	115.5	-49.2	0	0	0	0	123.4
399	P	38.3	Very low	29.1	Very low	115 Å²	115	122 Å²	122	75%	0.747	82%	0.819	S	S	*	*				-133.7	175.4	-65.2	39.5	-22.2	0	0	0	115
400	S	26	Very low	29.3	Very low	110 Å²	110	125.7 Å²	125.7	77%	0.769	82%	0.82	S	S	*	*			trans	83.1	119.9	153.8	79.2	0	0	0	0	120.8
401	S	29.1	Very low	29.6	Very low	119 Å²	119	125.9 Å²	125.9	83%	0.832	82%	0.818	S	S	*	*				178.8	138.9	102.5	50.2	0	0	0	0	111.7
402	S	27.4	Very low	29.8	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	81%	0.813	S	S	*	*			trans	-69.2	138.4	-177.2	50.4	0	0	0	0	114
403	S	29	Very low	30.1	Very low	122 Å²	122	120.6 Å²	120.6	85%	0.853	80%	0.804	S	S	*	*			trans	-156.1	129.1	133.5	56.8	0	0	0	0	111.3
404	S	28.3	Very low	30.7	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	80%	0.798	S	S	*	*			trans	-81.9	129.5	-175.6	49.5	0	0	0	0	112.2
405	S	29.2	Very low	31.5	Very low	112 Å²	112	128 Å²	128	78%	0.783	80%	0.802	S	S	*	*			trans	-153.7	101	154.8	52.9	0	0	0	0	111.4
406	K	30	Very low	32.9	Very low	211 Å²	211	127.7 Å²	127.7	92%	0.917	79%	0.791	S	S	*	*			trans	33.1	90.5	153.1	-68.8	179.8	175.5	179.4	0	117	G408	K406-G408 PolarHBondContact O-N 2.84Å
407	A	27.2	Very low	35.1	Very low	102 Å²	102	128.8 Å²	128.8	84%	0.843	79%	0.793	S	S	*	*			trans	-74.6	112.8	154.8	0	0	0	0	0	108.9
408	G	30.2	Very low	37.9	Very low	68 Å²	68	124.2 Å²	124.2	70%	0.701	78%	0.781	S	S	*	*			trans	-68.8	126.4	152.8	0	0	0	0	0	106.9	K406 D410	K406-G408 PolarHBondContact O-N 2.84Å; G408-D410 VanDerWaalsContact C-N 3.34Å; G408-D410 PolarHBondContact O-N 2.79Å
409	T	29.4	Very low	41	Very low	136 Å²	136	120.5 Å²	120.5	83%	0.834	76%	0.755	S	S	*	*			trans	-61.1	95.1	173.5	31.1	0	0	0	0	109.4	K411	T409-K411 VanDerWaalsContact C-N 3.34Å; T409-K411 PolarHBondContact O-N 3Å; T409-K411 VanDerWaalsContact O-N 3.14Å
410	D	32.3	Very low	43.8	Very low	159 Å²	159	118.4 Å²	118.4	85%	0.85	74%	0.74	S	S	*	*			trans	-72.9	94.5	161.6	-154.8	7.4	0	0	0	106.3	G408 G412	G408-D410 VanDerWaalsContact C-N 3.34Å; G408-D410 PolarHBondContact O-N 2.79Å; D410-G412 VanDerWaalsContact C-N 3.29Å; D410-G412 PolarHBondContact O-N 2.86Å
411	K	36.2	Very low	47.1	Very low	194 Å²	194	114.7 Å²	114.7	84%	0.843	71%	0.713	S	S	*	*			trans	-67.2	97.9	167.9	-81.3	-169.4	174.5	-171.7	0	105.9	T409 G413	T409-K411 VanDerWaalsContact C-N 3.34Å; T409-K411 PolarHBondContact O-N 3Å; T409-K411 VanDerWaalsContact O-N 3.14Å; K411-G413 PolarHBondContact O-N 2.8Å
412	G	36.2	Very low	50.3	Low	79 Å²	79	112.1 Å²	112.1	81%	0.814	69%	0.694	S	S	*	*			trans	-61.7	81.4	165.8	0	0	0	0	0	110.1	D410	D410-G412 VanDerWaalsContact C-N 3.29Å; D410-G412 PolarHBondContact O-N 2.86Å
413	G	35.6	Very low	53.5	Low	63 Å²	63	108.8 Å²	108.8	65%	0.649	68%	0.679	S	S	*	*			trans	-77.8	125.3	158.3	0	0	0	0	0	107.6	K411 K415	K411-G413 PolarHBondContact O-N 2.8Å; G413-K415 PolarHBondContact O-N 2.67Å; G413-K415 VanDerWaalsContact O-N 3.08Å
414	K	40.1	Very low	56.8	Low	166 Å²	166	106.2 Å²	106.2	72%	0.722	65%	0.653	S	S	*	*			trans	-52	118.9	168.3	-81.8	178.1	178.8	176	0	107.4	E381 L416	E381-K414 IonicContact OE1-NZ 2.76Å; E381-K414 PolarHBondContact OE1-NZ 2.82Å; E381-K414 IonicContact OE2-NZ 3.75Å; K414-L416 PolarHBondContact O-N 3.39Å
415	K	43.6	Very low	60.1	Low	201 Å²	201	101.8 Å²	101.8	87%	0.874	62%	0.621	S	S	*	*			trans	-67.5	107.6	-178.7	-159.1	179.8	-173.6	-174.2	0	107.3	G413 S417	G413-K415 PolarHBondContact O-N 2.67Å; G413-K415 VanDerWaalsContact O-N 3.08Å; K415-S417 PolarHBondContact O-N 2.67Å
416	L	60	Low	63.3	Low	104 Å²	104	98.8 Å²	98.8	55%	0.545	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-49.5	136.3	174.6	-81.5	145.5	0	0	0	110.5	K414 S418	K414-L416 PolarHBondContact O-N 3.39Å; L416-S418 PolarHBondContact O-N 2.89Å
417	S	74.1	Confident	66.5	Low	114 Å²	114	90.9 Å²	90.9	80%	0.797	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-59.7	134	179.5	-172	0	0	0	0	109.5	K415	K415-S417 PolarHBondContact O-N 2.67Å
418	S	86.6	Confident	69.9	Low	85 Å²	85	86.1 Å²	86.1	59%	0.594	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-79.2	127.8	176.4	-59.3	0	0	0	0	109.1	L416	L416-S418 PolarHBondContact O-N 2.89Å
419	P	93.4	Very high	73	Confident	33 Å²	33	84.1 Å²	84.1	21%	0.214	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-57.2	139.7	176.1	-27.1	36.8	0	0	0	111.6	F356 L367	F356-P419 HydrophobicContact CD1-CB 4.01Å; F356-P419 HydrophobicContact CE1-CB 4.08Å; L367-P419 VanDerWaalsContact C-CG 3.42Å; L367-P419 WeakPolarHBondContact O-CB 3.17Å; L367-P419 WeakPolarHBondContact O-CG 3.38Å
420	V	95.8	Very high	76.2	Confident	71 Å²	71	79.5 Å²	79.5	43%	0.43	46%	0.461	S	S	.	.			trans	-140.3	155.1	-178.5	-68.1	0	0	0	0	110.3	K257 H258	K257-V420 HydrophobicContact CB-CB 3.88Å; K257-V420 HydrophobicContact CB-CG2 3.76Å; K257-V420 HydrophobicContact CD-CG2 3.7Å; K257-V420 HydrophobicContact CG-CG2 4.32Å; H258-V420 CarbonylContact O-C 3.55Å; H258-V420 WeakPolarHBondContact O-CA 3.29Å; H258-V420 WeakPolarHBondContact O-CB 3.32Å
421	C	96.4	Very high	79.3	Confident	31 Å²	31	75.6 Å²	75.6	21%	0.209	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-130.6	163.4	172.1	70.7	0	0	0	0	111.6	K257 H258 F356	K257-C421 WeakPolarHBondContact CA-O 3.43Å; H258-C421 PolarHBondContact N-O 3.33Å; H258-C421 PolarHBondContact O-N 3.18Å; F356-C421 HydrophobicContact CE2-CB 4.29Å; F356-C421 HydrophobicContact CZ-CB 3.66Å
422	C	95.6	Very high	82.2	Confident	65 Å²	65	66.6 Å²	66.6	44%	0.439	40%	0.402	S	S	.	.			trans	-140.8	161.1	162.3	67.4	0	0	0	0	107.7	I255	I255-C422 HydrophobicContact CG2-CB 3.73Å
423	G	95.3	Very high	85.2	Confident	48 Å²	48	63.2 Å²	63.2	50%	0.495	37%	0.365	S	S	.	.			trans	174.5	-176.6	171.7	0	0	0	0	0	111.9	W347	W347-G423 WeakPolarHBondContact CH2-O 3.46Å
424	E	96.9	Very high	88.2	Confident	68 Å²	68	61.2 Å²	61.2	32%	0.318	34%	0.341	S	S	.	.			trans	-155	152.9	-172.3	48.1	178.6	-176	0	0	110.2	Y331 S333 R426	Y331-E424 VanDerWaalsContact CE2-OE1 3.26Å; Y331-E424 WeakPolarHBondContact CE2-OE1 3.35Å; Y331-E424 VanDerWaalsContact CZ-OE1 3.23Å; Y331-E424 PolarHBondContact OH-OE1 3.26Å; Y331-E424 PolarHBondContact OH-OE2 3.23Å; S333-E424 WeakPolarHBondContact CB-OE2 3.42Å; E424-R426 HydrophobicContact CB-CG 4.48Å; E424-R426 HydrophobicContact CG-CG 3.69Å; E424-R426 WeakPolarHBondContact OE1-CD 3.49Å
425	V	97.5	Very high	90.9	Very high	27 Å²	27	53.6 Å²	53.6	16%	0.164	31%	0.307	C	S	.	.			trans	-87.5	121.1	164.9	179.9	0	0	0	0	106.7	L313 W320 S333 A334 L339 V343 W347	L313-V425 HydrophobicContact CD2-CG1 3.69Å; W320-V425 HydrophobicContact CH2-CG1 4.02Å; W320-V425 HydrophobicContact CZ3-CG1 4.4Å; S333-V425 CarbonylContact C-O 3.59Å; S333-V425 VanDerWaalsContact CA-O 3.31Å; S333-V425 WeakPolarHBondContact CA-O 3.36Å; A334-V425 HydrophobicContact CB-CB 4.01Å; A334-V425 HydrophobicContact CB-CG1 4.26Å; A334-V425 PolarHBondContact N-O 3.17Å; L339-V425 HydrophobicContact CD1-CG2 4.32Å; L339-V425 HydrophobicContact CD2-CG2 4.33Å; V343-V425 HydrophobicContact CG1-CG2 4.4Å; W347-V425 HydrophobicContact CE3-CG2 4.37Å
426	R	98	Very high	93.3	Very high	50 Å²	50	45.7 Å²	45.7	19%	0.189	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	163	-174.4	-59	-174.6	-63.9	-179.3	4.7	110.2	Y331 E332 E424 Y520	Y331-R426 HydrophobicContact CD2-CB 4.43Å; Y331-R426 HydrophobicContact CD2-CG 4.24Å; Y331-R426 HydrophobicContact CE2-CG 4.02Å; E332-R426 CarbonylContact O-C 3.33Å; E332-R426 WeakPolarHBondContact O-CA 3.28Å; E424-R426 HydrophobicContact CB-CG 4.48Å; E424-R426 HydrophobicContact CG-CG 3.69Å; E424-R426 WeakPolarHBondContact OE1-CD 3.49Å; R426-Y520 VanDerWaalsContact O-CA 3.26Å; R426-Y520 WeakPolarHBondContact O-CA 3.33Å
427	R	97.4	Very high	94.5	Very high	44 Å²	44	42.5 Å²	42.5	17%	0.166	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	127	167.5	177.9	170.5	79.3	161.7	-7.5	108.4	W320 E332 E518 Y520	W320-R427 HydrophobicContact CD2-CB 4.07Å; W320-R427 HydrophobicContact CE3-CB 3.63Å; W320-R427 HydrophobicContact CH2-CB 3.79Å; W320-R427 HydrophobicContact CZ2-CB 4.19Å; W320-R427 HydrophobicContact CZ3-CB 3.49Å; W320-R427 VanDerWaalsContact CZ3-CB 3.49Å; E332-R427 HydrophobicContact CB-CB 4.25Å; E332-R427 PolarHBondContact N-O 2.53Å; E332-R427 PolarHBondContact O-N 3.4Å; E332-R427 IonicContact OE1-CZ 3.64Å; E332-R427 IonicContact OE1-NH2 3.47Å; E332-R427 PolarHBondContact OE1-NH2 2.66Å; E332-R427 IonicContact OE2-CZ 2.73Å; E332-R427 IonicContact OE2-NE 2.7Å; E332-R427 PolarHBondContact OE2-NE 3.05Å; E332-R427 IonicContact OE2-NH2 3.79Å; E332-R427 PolarHBondContact OE2-NH2 3.14Å; R427-E518 WeakPolarHBondContact CD-OE2 3.4Å; R427-E518 IonicContact CZ-OE1 3.89Å; R427-E518 IonicContact NH1-OE1 2.7Å; R427-E518 PolarHBondContact NH1-OE1 3.28Å; R427-E518 IonicContact NH1-OE2 3.51Å; R427-E518 PolarHBondContact NH1-OE2 3.37Å; R427-Y520 HydrophobicContact CB-CD1 3.92Å; R427-Y520 HydrophobicContact CB-CE1 4.12Å; R427-Y520 HydrophobicContact CG-CD1 3.96Å; R427-Y520 HydrophobicContact CG-CE1 3.73Å
428	W	97.8	Very high	94.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.008	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-113.4	130.1	179.8	-63.4	96.8	0	0	0	109	Y331 T434 V501 E518 F519	Y331-W428 AromaticContact CD1-CH2 3.82Å; Y331-W428 HydrophobicContact CD1-CH2 3.82Å; Y331-W428 HydrophobicContact CD1-CZ2 4.44Å; Y331-W428 HydrophobicContact CD1-CZ3 4.39Å; Y331-W428 AromaticContact CG-CH2 3.84Å; Y331-W428 HydrophobicContact CG-CH2 3.84Å; Y331-W428 HydrophobicContact CG-CZ2 4.18Å; Y331-W428 HydrophobicContact CG-CZ3 4.25Å; W428-T434 HydrophobicContact CH2-CG2 3.91Å; W428-V501 HydrophobicContact CD2-CG1 4.23Å; W428-V501 HydrophobicContact CE3-CG1 3.87Å; W428-V501 HydrophobicContact CH2-CB 3.65Å; W428-V501 HydrophobicContact CH2-CG1 3.74Å; W428-V501 HydrophobicContact CH2-CG2 3.74Å; W428-V501 HydrophobicContact CZ2-CB 4.15Å; W428-V501 HydrophobicContact CZ2-CG1 4.07Å; W428-V501 HydrophobicContact CZ2-CG2 3.79Å; W428-V501 HydrophobicContact CZ3-CB 3.9Å; W428-V501 HydrophobicContact CZ3-CG1 3.6Å; W428-V501 HydrophobicContact CZ3-CG2 4.45Å; W428-E518 WeakPolarHBondContact O-CA 3.27Å; W428-F519 HydrophobicContact CB-CD1 3.72Å; W428-F519 HydrophobicContact CB-CD2 4.18Å; W428-F519 HydrophobicContact CB-CE1 3.32Å; W428-F519 HydrophobicContact CB-CE2 3.83Å; W428-F519 HydrophobicContact CB-CG 4.13Å; W428-F519 HydrophobicContact CB-CZ 3.38Å; W428-F519 AromaticContact CD1-CD2 3.84Å; W428-F519 AromaticContact CD1-CE2 3.22Å; W428-F519 AromaticContact CD1-CZ 3.5Å; W428-F519 HydrophobicContact CD2-CZ 4.25Å; W428-F519 HydrophobicContact CG-CD2 4.31Å; W428-F519 AromaticContact CG-CE1 3.91Å; W428-F519 HydrophobicContact CG-CE1 3.91Å; W428-F519 AromaticContact CG-CE2 3.64Å; W428-F519 HydrophobicContact CG-CE2 3.64Å; W428-F519 AromaticContact CG-CZ 3.4Å; W428-F519 HydrophobicContact CG-CZ 3.4Å; W428-F519 PolarHBondContact N-O 2.98Å; W428-F519 PolarHBondContact O-N 3.05Å
429	S	95.4	Very high	94.2	Very high	27 Å²	27	38.6 Å²	38.6	19%	0.189	22%	0.223	C	C	.	.			trans	-149.7	178.6	176.4	62.7	0	0	0	0	108.3	D431 G432 V504	S429-D431 PolarHBondContact O-N 3.05Å; S429-G432 WeakPolarHBondContact O-CA 3.42Å; S429-G432 PolarHBondContact O-N 2.62Å; S429-V504 VanDerWaalsContact O-CB 3.25Å; S429-V504 WeakPolarHBondContact O-CB 3.19Å; S429-V504 WeakPolarHBondContact O-CG1 3.38Å
430	H	96.9	Very high	93.4	Very high	39 Å²	39	40.2 Å²	40.2	18%	0.181	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	135.6	174.8	179.8	-126.9	0	0	0	112	E224 G432 V504 N505 H506 C516	E224-H430 IonicContact OE2-CD2 3.77Å; E224-H430 IonicContact OE2-CE1 3.58Å; E224-H430 IonicContact OE2-NE2 2.77Å; E224-H430 PolarHBondContact OE2-NE2 3.21Å; H430-G432 VanDerWaalsContact C-N 3.27Å; H430-G432 PolarHBondContact O-N 3.19Å; H430-V504 PolarHBondContact CD2-O 3.1Å; H430-N505 VanDerWaalsContact CD2-C 3.41Å; H430-H506 PolarHBondContact CD2-N 3.39Å; H430-C516 HydrophobicContact CB-CB 4.36Å
431	D	96.4	Very high	92.6	Very high	77 Å²	77	37.9 Å²	37.9	41%	0.412	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	7	-170.9	-66	-31.3	0	0	0	116.6	S429 Y433 H503 V504	S429-D431 PolarHBondContact O-N 3.05Å; D431-Y433 VanDerWaalsContact O-CD1 3.23Å; D431-Y433 WeakPolarHBondContact O-CD1 3.46Å; D431-H503 IonicContact OD1-NE2 2.74Å; D431-H503 PolarHBondContact OD1-NE2 3.23Å; D431-V504 PolarHBondContact N-O 3.24Å
432	G	98.2	Very high	91.8	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	24%	0.242	C	C	.	.			trans	-73.9	131.9	172.1	0	0	0	0	0	113	C330 S429 H430 H503 V504	C330-G432 CarbonylContact O-C 3.54Å; C330-G432 WeakPolarHBondContact O-CA 3.26Å; S429-G432 WeakPolarHBondContact O-CA 3.42Å; S429-G432 PolarHBondContact O-N 2.62Å; H430-G432 VanDerWaalsContact C-N 3.27Å; H430-G432 PolarHBondContact O-N 3.19Å; G432-H503 CarbonylContact O-C 3.45Å; G432-H503 WeakPolarHBondContact O-CA 3.32Å; G432-V504 PolarHBondContact O-N 2.97Å
433	Y	98.8	Very high	91.1	Very high	8 Å²	8	42.2 Å²	42.2	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	166.8	174.6	61.8	-91.9	0	0	0	113.6	L155 P326 R329 C330 D431 L435 V501	L155-Y433 HydrophobicContact CD1-CD1 3.98Å; L155-Y433 HydrophobicContact CD1-CD2 3.73Å; L155-Y433 HydrophobicContact CD1-CE1 4.29Å; L155-Y433 HydrophobicContact CD1-CE2 4.06Å; L155-Y433 HydrophobicContact CD1-CG 3.68Å; L155-Y433 HydrophobicContact CD2-CD1 3.96Å; L155-Y433 HydrophobicContact CD2-CE1 3.77Å; P326-Y433 VanDerWaalsContact O-CE2 3.25Å; P326-Y433 WeakPolarHBondContact O-CE2 3.21Å; P326-Y433 PolarHBondContact O-OH 2.82Å; R329-Y433 WeakPolarHBondContact CA-O 3.45Å; C330-Y433 HydrophobicContact CB-CD1 3.75Å; C330-Y433 HydrophobicContact CB-CD2 4.48Å; C330-Y433 HydrophobicContact CB-CE1 3.32Å; C330-Y433 HydrophobicContact CB-CE2 4.12Å; C330-Y433 HydrophobicContact CB-CG 4.31Å; C330-Y433 PolarHBondContact N-O 3.02Å; C330-Y433 PolarHBondContact O-N 2.89Å; D431-Y433 VanDerWaalsContact O-CD1 3.23Å; D431-Y433 WeakPolarHBondContact O-CD1 3.46Å; Y433-L435 HydrophobicContact CD2-CD1 4.33Å; Y433-L435 HydrophobicContact CD2-CD2 4.15Å; Y433-L435 HydrophobicContact CD2-CG 3.8Å; Y433-L435 HydrophobicContact CE2-CD1 3.89Å; Y433-L435 HydrophobicContact CE2-CG 3.86Å; Y433-V501 WeakPolarHBondContact CA-O 3.46Å
434	T	98.5	Very high	90.7	Very high	22 Å²	22	40.9 Å²	40.9	14%	0.135	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	158.4	154.1	71.2	0	0	0	0	110.4	K328 R329 Y331 W428 F500 V501	K328-T434 CarbonylContact O-C 3.5Å; K328-T434 WeakPolarHBondContact O-CA 3.36Å; R329-T434 HydrophobicContact CB-CG2 4.1Å; Y331-T434 HydrophobicContact CD1-CG2 4.14Å; Y331-T434 HydrophobicContact CE1-CG2 4.1Å; W428-T434 HydrophobicContact CH2-CG2 3.91Å; T434-F500 VanDerWaalsContact OG1-CA 3.27Å; T434-F500 WeakPolarHBondContact OG1-CA 3.41Å; T434-V501 HydrophobicContact CG2-CB 4.41Å; T434-V501 HydrophobicContact CG2-CG2 4.45Å; T434-V501 PolarHBondContact N-O 3.36Å; T434-V501 PolarHBondContact OG1-N 3.02Å
435	L	97.3	Very high	90.5	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	23%	0.231	C	C	.	.			trans	-125.9	149.2	-179.4	-62.8	179.2	0	0	0	109.9	D96 L97 L155 K328 Y433	D96-L435 VanDerWaalsContact C-CD2 3.5Å; D96-L435 HydrophobicContact CB-CD2 4.21Å; D96-L435 VanDerWaalsContact O-CD2 3.26Å; D96-L435 WeakPolarHBondContact O-CD2 3.4Å; L97-L435 HydrophobicContact CB-CD2 4.38Å; L97-L435 HydrophobicContact CD1-CD1 3.9Å; L97-L435 HydrophobicContact CD1-CD2 4.32Å; L155-L435 HydrophobicContact CB-CD1 4.29Å; L155-L435 HydrophobicContact CD1-CD2 3.75Å; K328-L435 PolarHBondContact O-N 3.43Å; Y433-L435 HydrophobicContact CD2-CD1 4.33Å; Y433-L435 HydrophobicContact CD2-CD2 4.15Å; Y433-L435 HydrophobicContact CD2-CG 3.8Å; Y433-L435 HydrophobicContact CE2-CD1 3.89Å; Y433-L435 HydrophobicContact CE2-CG 3.86Å
436	L	93.5	Very high	90.4	Very high	36 Å²	36	46.9 Å²	46.9	19%	0.188	25%	0.248	C	C	.	.			trans	-75.9	143.4	169.2	-60.1	-178.5	0	0	0	109.7	D96 I470 L498 K499 F500	D96-L436 HydrophobicContact CB-CG 4.44Å; D96-L436 PolarHBondContact OD2-N 2.84Å; L436-I470 HydrophobicContact CD1-CD1 3.18Å; L436-I470 HydrophobicContact CD1-CG1 3.78Å; L436-L498 HydrophobicContact CD1-CB 4.38Å; L436-L498 HydrophobicContact CD2-CB 3.76Å; L436-L498 HydrophobicContact CD2-CD1 4.43Å; L436-K499 WeakPolarHBondContact CD2-O 3.16Å; L436-F500 HydrophobicContact CD1-CD1 4.09Å; L436-F500 HydrophobicContact CD2-CB 4.18Å; L436-F500 HydrophobicContact CD2-CD1 4.4Å; L436-F500 HydrophobicContact CG-CB 4.28Å; L436-F500 HydrophobicContact CG-CD1 4.11Å
437	H	85.3	Confident	90.3	Very high	37 Å²	37	45.4 Å²	45.4	17%	0.171	25%	0.247	C	C	.	.			trans	-148.2	146.5	173.8	61.5	67	0	0	0	111.5	K328 A439 E440 A441	K328-H437 WeakPolarHBondContact CD-NE2 3.49Å; K328-H437 VanDerWaalsContact CG-CD2 3.47Å; K328-H437 WeakPolarHBondContact CG-CD2 3.49Å; H437-A439 PolarHBondContact O-N 2.96Å; H437-E440 PolarHBondContact CE1-N 2.73Å; H437-E440 PolarHBondContact ND1-N 2.89Å; H437-E440 VanDerWaalsContact ND1-N 3.17Å; H437-E440 WeakPolarHBondContact O-CB 3.41Å; H437-E440 PolarHBondContact O-N 2.85Å; H437-A441 PolarHBondContact O-N 2.7Å
438	D	76.1	Confident	90.3	Very high	94 Å²	94	45 Å²	45	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-53.7	-29.7	-173.1	-59	13.5	0	0	0	114.5	R249 E440 A441 A442	R249-D438 IonicContact CZ-OD2 3.61Å; R249-D438 VanDerWaalsContact NH1-CG 3.28Å; R249-D438 IonicContact NH1-OD2 3.91Å; R249-D438 PolarHBondContact NH1-OD2 3.11Å; R249-D438 IonicContact NH2-OD2 2.95Å; R249-D438 PolarHBondContact NH2-OD2 3.11Å; D438-E440 VanDerWaalsContact C-N 3.27Å; D438-E440 PolarHBondContact O-N 2.98Å; D438-A441 PolarHBondContact O-N 3.34Å; D438-A442 PolarHBondContact O-N 3.18Å; D438-A442 VanDerWaalsContact O-N 3.07Å
439	A	77.4	Confident	90.4	Very high	22 Å²	22	45.7 Å²	45.7	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-69.4	-23.3	177.2	0	0	0	0	0	113.7	H437 Q443	H437-A439 PolarHBondContact O-N 2.96Å; A439-Q443 VanDerWaalsContact O-CG 3.26Å; A439-Q443 WeakPolarHBondContact O-CG 3.37Å; A439-Q443 PolarHBondContact O-NE2 2.96Å
440	E	77.4	Confident	90.5	Very high	67 Å²	67	47.2 Å²	47.2	31%	0.313	26%	0.257	S	S	.	.	H	α-helix	trans	-80.6	-43.9	175	-177	170.1	-156.4	0	0	109.9	H437 D438 A442 Q443 A444	H437-E440 PolarHBondContact CE1-N 2.73Å; H437-E440 PolarHBondContact ND1-N 2.89Å; H437-E440 VanDerWaalsContact ND1-N 3.17Å; H437-E440 WeakPolarHBondContact O-CB 3.41Å; H437-E440 PolarHBondContact O-N 2.85Å; D438-E440 VanDerWaalsContact C-N 3.27Å; D438-E440 PolarHBondContact O-N 2.98Å; E440-A442 VanDerWaalsContact C-N 3.29Å; E440-A442 PolarHBondContact O-N 2.91Å; E440-Q443 CarbonylContact O-C 3.53Å; E440-Q443 VanDerWaalsContact O-C 3.3Å; E440-Q443 WeakPolarHBondContact O-CA 3.2Å; E440-Q443 PolarHBondContact O-N 2.89Å; E440-A444 PolarHBondContact O-N 2.86Å
441	A	78.5	Confident	90.6	Very high	22 Å²	22	46.3 Å²	46.3	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-54.8	-44.9	172.3	0	0	0	0	0	112.2	H437 D438 Q443 A444 L498	H437-A441 PolarHBondContact O-N 2.7Å; D438-A441 PolarHBondContact O-N 3.34Å; A441-Q443 PolarHBondContact O-N 3.19Å; A441-A444 WeakPolarHBondContact O-CB 3.16Å; A441-A444 PolarHBondContact O-N 3.06Å; A441-L498 HydrophobicContact CB-CD1 4.02Å; A441-L498 HydrophobicContact CB-CD2 4.35Å
442	A	78.8	Confident	90.7	Very high	91 Å²	91	43.5 Å²	43.5	75%	0.752	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.2	176.1	0	0	0	0	0	114.5	D438 E440	D438-A442 PolarHBondContact O-N 3.18Å; D438-A442 VanDerWaalsContact O-N 3.07Å; E440-A442 VanDerWaalsContact C-N 3.29Å; E440-A442 PolarHBondContact O-N 2.91Å
443	Q	82.5	Confident	90.7	Very high	96 Å²	96	43.7 Å²	43.7	45%	0.449	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	7.9	179.6	-68.8	177.2	44.5	0	0	112.5	A439 E440 A441 E445	A439-Q443 VanDerWaalsContact O-CG 3.26Å; A439-Q443 WeakPolarHBondContact O-CG 3.37Å; A439-Q443 PolarHBondContact O-NE2 2.96Å; E440-Q443 CarbonylContact O-C 3.53Å; E440-Q443 VanDerWaalsContact O-C 3.3Å; E440-Q443 WeakPolarHBondContact O-CA 3.2Å; E440-Q443 PolarHBondContact O-N 2.89Å; A441-Q443 PolarHBondContact O-N 3.19Å; Q443-E445 PolarHBondContact O-N 3.33Å
444	A	87.1	Confident	90.6	Very high	21 Å²	21	44.1 Å²	44.1	17%	0.174	24%	0.241	C	C	.	.			trans	-58.1	135	179.8	0	0	0	0	0	110	E440 A441 K495 L498	E440-A444 PolarHBondContact O-N 2.86Å; A441-A444 WeakPolarHBondContact O-CB 3.16Å; A441-A444 PolarHBondContact O-N 3.06Å; A444-K495 WeakPolarHBondContact CB-O 3.12Å; A444-L498 HydrophobicContact CB-CD2 4.34Å
445	E	91.1	Very high	90.4	Very high	84 Å²	84	43.7 Å²	43.7	39%	0.393	24%	0.241	S	C	.	.			trans	-137.8	152.6	-174	61.7	177.7	-171.8	0	0	109.6	K257 Q443 A447	K257-E445 WeakPolarHBondContact CE-OE1 3.44Å; K257-E445 IonicContact NZ-OE1 3.9Å; K257-E445 PolarHBondContact NZ-OE1 2.92Å; K257-E445 IonicContact NZ-OE2 3.63Å; K257-E445 PolarHBondContact NZ-OE2 2.48Å; Q443-E445 PolarHBondContact O-N 3.33Å; E445-A447 HydrophobicContact CG-CB 4.47Å; E445-A447 PolarHBondContact O-N 3.35Å
446	Y	95.4	Very high	90.2	Very high	136 Å²	136	43.7 Å²	43.7	53%	0.533	24%	0.241	S	C	.	.			trans	-58.7	121.8	167.6	-64.8	-75.4	0	0	0	109.4	Y492 R493 D494 K495	Y446-Y492 HydrophobicContact CD1-CE1 4.38Å; Y446-Y492 AromaticContact CD1-CZ 3.86Å; Y446-Y492 WeakPolarHBondContact CD1-OH 3.49Å; Y446-R493 VanDerWaalsContact CA-O 3.3Å; Y446-R493 WeakPolarHBondContact CA-O 3.25Å; Y446-D494 HydrophobicContact CD1-CB 3.94Å; Y446-D494 HydrophobicContact CE1-CB 3.62Å; Y446-K495 HydrophobicContact CD2-CG 4.33Å; Y446-K495 HydrophobicContact CE2-CD 4.15Å; Y446-K495 HydrophobicContact CE2-CG 4.09Å
447	A	96.5	Very high	90.1	Very high	19 Å²	19	45.7 Å²	45.7	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	144.3	-176.2	0	0	0	0	0	111.1	E445 Y492 R493	E445-A447 HydrophobicContact CG-CB 4.47Å; E445-A447 PolarHBondContact O-N 3.35Å; A447-Y492 WeakPolarHBondContact O-CD2 3.35Å; A447-R493 PolarHBondContact N-O 3.11Å; A447-R493 PolarHBondContact O-N 3.45Å
448	L	98.2	Very high	90.3	Very high	37 Å²	37	50 Å²	50	19%	0.194	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.4	167.1	-177.2	68.1	0	0	0	108.4	F289 L359 T363 L365 L367 L490	F289-L448 HydrophobicContact CE1-CD1 4.46Å; F289-L448 HydrophobicContact CE2-CD1 4.16Å; F289-L448 HydrophobicContact CZ-CD1 3.55Å; L359-L448 HydrophobicContact CB-CD2 4.38Å; L359-L448 HydrophobicContact CD1-CD2 4.32Å; L359-L448 HydrophobicContact CD2-CD2 4.47Å; T363-L448 HydrophobicContact CG2-CD1 4.1Å; T363-L448 HydrophobicContact CG2-CD2 3.94Å; L365-L448 HydrophobicContact CD1-CB 4.05Å; L365-L448 HydrophobicContact CD1-CD1 4.22Å; L365-L448 HydrophobicContact CD1-CD2 4.31Å; L365-L448 HydrophobicContact CD1-CG 4.43Å; L367-L448 HydrophobicContact CD1-CD2 3.78Å; L448-L490 HydrophobicContact CD1-CB 4.28Å
449	D	98.3	Very high	91.2	Very high	16 Å²	16	46.8 Å²	46.8	9%	0.086	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	140.7	171.5	-71.1	-30.1	0	0	0	110.6	Y469 L490 V491 R493 K499	D449-Y469 WeakPolarHBondContact CB-OH 3.13Å; D449-Y469 WeakPolarHBondContact OD2-CE1 3.33Å; D449-Y469 PolarHBondContact OD2-OH 3.38Å; D449-L490 WeakPolarHBondContact O-CA 3.39Å; D449-V491 PolarHBondContact N-O 2.92Å; D449-V491 PolarHBondContact O-N 3.24Å; D449-R493 IonicContact OD1-CZ 3.91Å; D449-R493 IonicContact OD1-NE 3.68Å; D449-R493 IonicContact OD1-NH2 3.67Å; D449-R493 PolarHBondContact OD1-NH2 3.3Å; D449-R493 IonicContact OD2-CZ 2.67Å; D449-R493 IonicContact OD2-NE 3.28Å; D449-R493 PolarHBondContact OD2-NE 2.97Å; D449-R493 IonicContact OD2-NH2 2.78Å; D449-R493 PolarHBondContact OD2-NH2 3.46Å; D449-K499 IonicContact OD1-NZ 3.88Å; D449-K499 PolarHBondContact OD1-NZ 3.41Å; D449-K499 WeakPolarHBondContact OD2-CD 3.44Å; D449-K499 WeakPolarHBondContact OD2-CE 3.28Å; D449-K499 IonicContact OD2-NZ 3.33Å; D449-K499 PolarHBondContact OD2-NZ 2.56Å
450	L	98.6	Very high	92	Very high	58 Å²	58	50.7 Å²	50.7	30%	0.304	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.5	177.1	-177.9	157.4	0	0	0	109	L350 F355 L359 L488 A489 L490	L350-L450 HydrophobicContact CD1-CD2 4.44Å; L350-L450 HydrophobicContact CD2-CD2 4.46Å; F355-L450 HydrophobicContact CE1-CD1 3.5Å; F355-L450 VanDerWaalsContact CE1-CD1 3.5Å; F355-L450 HydrophobicContact CZ-CD1 3.86Å; L359-L450 HydrophobicContact CD1-CD1 4.29Å; L359-L450 HydrophobicContact CD2-CD1 4.19Å; L450-L488 HydrophobicContact CD1-CD1 3.97Å; L450-L488 HydrophobicContact CD2-CD1 3.56Å; L450-L488 HydrophobicContact CG-CD1 3.59Å; L450-L488 HydrophobicContact CG-CG 4.44Å; L450-A489 WeakPolarHBondContact CA-O 3.37Å; L450-L490 HydrophobicContact CB-CD2 3.99Å; L450-L490 HydrophobicContact CD1-CD2 3.91Å; L450-L490 HydrophobicContact CG-CD2 3.85Å
451	I	98.5	Very high	92.8	Very high	21 Å²	21	50 Å²	50	11%	0.108	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.4	179.3	-52.7	171.7	0	0	0	108.4	P453 T467 V481 L488 A489	I451-P453 HydrophobicContact CG2-CG 4.17Å; I451-T467 HydrophobicContact CD1-CG2 4.1Å; I451-V481 HydrophobicContact CD1-CG1 4.42Å; I451-L488 WeakPolarHBondContact O-CA 3.18Å; I451-A489 HydrophobicContact CB-CB 4.34Å; I451-A489 PolarHBondContact N-O 2.77Å; I451-A489 PolarHBondContact O-N 3.03Å
452	L	98.4	Very high	93.7	Very high	18 Å²	18	54.4 Å²	54.4	9%	0.094	31%	0.305	C	S	.	.			trans	-130.2	94.7	176.5	-177.5	61.8	0	0	0	109.2	L301 F454 L488	L301-L452 HydrophobicContact CD1-CD2 3.96Å; L301-L452 HydrophobicContact CG-CD2 4.17Å; L452-F454 HydrophobicContact CB-CE2 4.36Å; L452-F454 HydrophobicContact CD2-CE2 3.92Å; L452-F454 HydrophobicContact CD2-CZ 3.68Å; L452-F454 HydrophobicContact CG-CE2 3.73Å; L452-F454 HydrophobicContact CG-CZ 3.85Å; L452-F454 VanDerWaalsContact O-CD2 3.29Å; L452-F454 WeakPolarHBondContact O-CD2 3.39Å; L452-F454 VanDerWaalsContact O-CE2 3.29Å; L452-F454 WeakPolarHBondContact O-CE2 3.34Å; L452-L488 HydrophobicContact CB-CD1 3.95Å; L452-L488 HydrophobicContact CD1-CB 4.25Å; L452-L488 HydrophobicContact CD1-CD1 4.26Å; L452-L488 HydrophobicContact CG-CD1 4.5Å
453	P	97.6	Very high	94.5	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.052	27%	0.271	C	S	.	.			trans	-74.7	146.2	-177.5	-18.4	33.6	0	0	0	113.6	I451 P483 N486 S487 Y520	I451-P453 HydrophobicContact CG2-CG 4.17Å; P453-P483 HydrophobicContact CB-CB 4.29Å; P453-P483 HydrophobicContact CG-CB 4.45Å; P453-N486 PolarHBondContact O-N 3.21Å; P453-S487 WeakPolarHBondContact CD-O 3.48Å; P453-Y520 WeakPolarHBondContact CA-O 3.47Å
454	F	97.6	Very high	95.2	Very high	16 Å²	16	46 Å²	46	7%	0.07	25%	0.251	C	S	.	.			trans	-130.8	139.2	170.8	-59.6	-99.3	0	0	0	112.3	L301 F306 V309 L313 L452 F519 Y520	L301-F454 HydrophobicContact CD1-CE1 3.98Å; L301-F454 HydrophobicContact CD1-CZ 3.9Å; F306-F454 AromaticContact CD2-CD1 3.6Å; F306-F454 HydrophobicContact CD2-CD1 3.6Å; F306-F454 AromaticContact CD2-CE1 3.58Å; F306-F454 HydrophobicContact CD2-CE1 3.58Å; F306-F454 HydrophobicContact CE2-CB 4.5Å; F306-F454 AromaticContact CE2-CD1 3.37Å; F306-F454 HydrophobicContact CE2-CD1 3.37Å; F306-F454 AromaticContact CE2-CE1 3.83Å; F306-F454 HydrophobicContact CE2-CE1 3.83Å; F306-F454 HydrophobicContact CE2-CG 4.14Å; F306-F454 HydrophobicContact CZ-CD1 4.38Å; V309-F454 HydrophobicContact CB-CD1 4.31Å; V309-F454 HydrophobicContact CB-CE1 3.83Å; V309-F454 HydrophobicContact CB-CZ 4.47Å; V309-F454 HydrophobicContact CG1-CD1 3.86Å; V309-F454 HydrophobicContact CG1-CE1 3.46Å; V309-F454 VanDerWaalsContact CG1-CE1 3.46Å; V309-F454 HydrophobicContact CG1-CE2 4.37Å; V309-F454 HydrophobicContact CG1-CG 4.47Å; V309-F454 HydrophobicContact CG1-CZ 3.75Å; L313-F454 HydrophobicContact CD1-CB 3.7Å; L313-F454 HydrophobicContact CD1-CD1 4.24Å; L313-F454 HydrophobicContact CD1-CD2 3.88Å; L313-F454 HydrophobicContact CD1-CG 3.69Å; L452-F454 HydrophobicContact CB-CE2 4.36Å; L452-F454 HydrophobicContact CD2-CE2 3.92Å; L452-F454 HydrophobicContact CD2-CZ 3.68Å; L452-F454 HydrophobicContact CG-CE2 3.73Å; L452-F454 HydrophobicContact CG-CZ 3.85Å; L452-F454 VanDerWaalsContact O-CD2 3.29Å; L452-F454 WeakPolarHBondContact O-CD2 3.39Å; L452-F454 VanDerWaalsContact O-CE2 3.29Å; L452-F454 WeakPolarHBondContact O-CE2 3.34Å; F454-F519 WeakPolarHBondContact O-CA 3.33Å; F454-Y520 PolarHBondContact N-O 3.45Å; F454-Y520 PolarHBondContact O-N 3.21Å
455	G	94.6	Very high	95.7	Very high	13 Å²	13	45.2 Å²	45.2	13%	0.134	25%	0.245	C	C	.	.	S	Bend	trans	79.2	23.5	173.1	0	0	0	0	0	115.2	D485	G455-D485 WeakPolarHBondContact CA-OD1 3.5Å; G455-D485 PolarHBondContact N-OD1 3.42Å
456	C	93.5	Very high	96.1	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.034	23%	0.233	C	C	.	.			trans	-109.7	17.9	-175.3	62.7	0	0	0	0	115.2	D458 W459 P483 D485 F519	C456-D458 PolarHBondContact O-N 3.24Å; C456-D458 VanDerWaalsContact O-N 3.14Å; C456-W459 HydrophobicContact CB-CB 3.79Å; C456-W459 HydrophobicContact CB-CG 4.44Å; C456-W459 WeakPolarHBondContact O-CB 3.19Å; C456-W459 PolarHBondContact O-N 3.1Å; C456-P483 HydrophobicContact CB-CB 3.92Å; C456-D485 PolarHBondContact N-OD1 3.4Å; C456-D485 PolarHBondContact N-OD2 3.14Å; C456-D485 PolarHBondContact SG-N 3.31Å; C456-D485 PolarHBondContact SG-OD1 3.42Å; C456-D485 VanDerWaalsContact SG-OD1 3.39Å; C456-F519 HydrophobicContact CB-CB 3.73Å; C456-F519 HydrophobicContact CB-CG 4.24Å
457	A	90.4	Very high	96.2	Very high	79 Å²	79	36.8 Å²	36.8	65%	0.653	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-36.5	177.9	0	0	0	0	0	115.4	D485	A457-D485 WeakPolarHBondContact CB-OD2 3.46Å; A457-D485 PolarHBondContact N-OD2 3.48Å
458	D	89.6	Confident	96.3	Very high	126 Å²	126	36 Å²	36	67%	0.674	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	19.9	178.9	-60.4	-41.8	0	0	0	112.3	C456	C456-D458 PolarHBondContact O-N 3.24Å; C456-D458 VanDerWaalsContact O-N 3.14Å
459	W	94.7	Very high	96.2	Very high	27 Å²	27	34.4 Å²	34.4	10%	0.102	20%	0.195	C	C	.	.			trans	-88.4	121.5	-178.8	-159.3	-89.3	0	0	0	111	C456 F463 G464 V504 R517 F519	C456-W459 HydrophobicContact CB-CB 3.79Å; C456-W459 HydrophobicContact CB-CG 4.44Å; C456-W459 WeakPolarHBondContact O-CB 3.19Å; C456-W459 PolarHBondContact O-N 3.1Å; W459-F463 HydrophobicContact CD2-CD2 4.08Å; W459-F463 HydrophobicContact CE3-CD2 4.36Å; W459-F463 HydrophobicContact CG-CD2 4.33Å; W459-F463 HydrophobicContact CZ2-CB 4.05Å; W459-G464 PolarHBondContact NE1-O 2.67Å; W459-V504 HydrophobicContact CH2-CG1 3.55Å; W459-V504 HydrophobicContact CH2-CG2 4.49Å; W459-V504 HydrophobicContact CZ2-CB 4.44Å; W459-V504 HydrophobicContact CZ2-CG1 3.55Å; W459-V504 HydrophobicContact CZ2-CG2 4.03Å; W459-R517 HydrophobicContact CE3-CB 4.16Å; W459-R517 HydrophobicContact CZ3-CB 3.7Å; W459-F519 AromaticContact CD2-CD1 3.76Å; W459-F519 HydrophobicContact CD2-CD1 3.76Å; W459-F519 HydrophobicContact CD2-CE1 4.17Å; W459-F519 AromaticContact CE2-CD1 3.74Å; W459-F519 AromaticContact CE2-CE1 3.67Å; W459-F519 AromaticContact CE3-CD1 3.79Å; W459-F519 HydrophobicContact CE3-CD1 3.79Å; W459-F519 HydrophobicContact CG-CD1 4.48Å; W459-F519 AromaticContact CH2-CD1 3.78Å; W459-F519 HydrophobicContact CH2-CD1 3.78Å; W459-F519 HydrophobicContact CH2-CE1 4.01Å; W459-F519 AromaticContact CZ2-CD1 3.76Å; W459-F519 HydrophobicContact CZ2-CD1 3.76Å; W459-F519 AromaticContact CZ2-CE1 3.59Å; W459-F519 HydrophobicContact CZ2-CE1 3.59Å; W459-F519 AromaticContact CZ3-CD1 3.8Å; W459-F519 HydrophobicContact CZ3-CD1 3.8Å; W459-F519 HydrophobicContact CZ3-CE1 4.46Å
460	E	94.9	Very high	96.1	Very high	105 Å²	105	35.3 Å²	35.3	49%	0.491	20%	0.2	S	C	.	.			trans	-100.3	147.8	-179.3	-62.2	177.8	-159.6	0	0	110.9	E462 F463	E460-E462 PolarHBondContact O-N 2.88Å; E460-E462 VanDerWaalsContact O-N 3.11Å; E460-F463 HydrophobicContact CB-CD1 4.14Å; E460-F463 HydrophobicContact CB-CD2 4.17Å; E460-F463 HydrophobicContact CB-CE1 3.93Å; E460-F463 HydrophobicContact CB-CE2 3.96Å; E460-F463 HydrophobicContact CB-CG 4.25Å; E460-F463 HydrophobicContact CB-CZ 3.83Å; E460-F463 HydrophobicContact CG-CE1 4.3Å; E460-F463 HydrophobicContact CG-CE2 4.07Å; E460-F463 HydrophobicContact CG-CZ 3.82Å; E460-F463 VanDerWaalsContact O-CB 3.3Å; E460-F463 WeakPolarHBondContact O-CB 3.4Å; E460-F463 PolarHBondContact O-N 3.17Å
461	A	94.8	Very high	95.7	Very high	51 Å²	51	33.2 Å²	33.2	42%	0.421	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-52.9	-34.6	176.1	0	0	0	0	0	112.8	F463 G464 Y482	A461-F463 PolarHBondContact O-N 3Å; A461-G464 PolarHBondContact O-N 3.28Å; A461-Y482 HydrophobicContact CB-CD1 3.89Å; A461-Y482 HydrophobicContact CB-CE1 3.42Å; A461-Y482 VanDerWaalsContact CB-CE1 3.42Å
462	E	95.7	Very high	95.1	Very high	116 Å²	116	34.5 Å²	34.5	54%	0.542	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-65.6	-17.4	179.4	-61.2	-166.7	177.7	0	0	113.9	E460 G464 N505 K507	E460-E462 PolarHBondContact O-N 2.88Å; E460-E462 VanDerWaalsContact O-N 3.11Å; E462-G464 VanDerWaalsContact C-N 3.28Å; E462-N505 PolarHBondContact O-ND2 3.44Å; E462-K507 HydrophobicContact CB-CD 4.25Å; E462-K507 IonicContact OE2-NZ 2.65Å; E462-K507 PolarHBondContact OE2-NZ 3.47Å
463	F	96.9	Very high	94.1	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.035	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-77.5	-15.2	179.2	-60.8	-8.6	0	0	0	112.4	W459 E460 A461 V504 N505 K507	W459-F463 HydrophobicContact CD2-CD2 4.08Å; W459-F463 HydrophobicContact CE3-CD2 4.36Å; W459-F463 HydrophobicContact CG-CD2 4.33Å; W459-F463 HydrophobicContact CZ2-CB 4.05Å; E460-F463 HydrophobicContact CB-CD1 4.14Å; E460-F463 HydrophobicContact CB-CD2 4.17Å; E460-F463 HydrophobicContact CB-CE1 3.93Å; E460-F463 HydrophobicContact CB-CE2 3.96Å; E460-F463 HydrophobicContact CB-CG 4.25Å; E460-F463 HydrophobicContact CB-CZ 3.83Å; E460-F463 HydrophobicContact CG-CE1 4.3Å; E460-F463 HydrophobicContact CG-CE2 4.07Å; E460-F463 HydrophobicContact CG-CZ 3.82Å; E460-F463 VanDerWaalsContact O-CB 3.3Å; E460-F463 WeakPolarHBondContact O-CB 3.4Å; E460-F463 PolarHBondContact O-N 3.17Å; A461-F463 PolarHBondContact O-N 3Å; F463-V504 CarbonylContact O-C 3.53Å; F463-V504 VanDerWaalsContact O-CA 3.27Å; F463-V504 WeakPolarHBondContact O-CA 3.43Å; F463-N505 PolarHBondContact O-N 3.37Å; F463-N505 PolarHBondContact O-ND2 2.84Å; F463-K507 HydrophobicContact CD1-CB 3.51Å; F463-K507 HydrophobicContact CE1-CB 3.8Å; F463-K507 VanDerWaalsContact CE1-O 3.28Å; F463-K507 WeakPolarHBondContact CE1-O 3.14Å
464	G	97.7	Very high	93	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.031	26%	0.257	C	S	.	.			trans	81.1	-154.6	-168.6	0	0	0	0	0	111.7	W459 A461 E462 F466 H503	W459-G464 PolarHBondContact NE1-O 2.67Å; A461-G464 PolarHBondContact O-N 3.28Å; E462-G464 VanDerWaalsContact C-N 3.28Å; G464-F466 PolarHBondContact O-N 3.11Å; G464-H503 WeakPolarHBondContact CA-O 3.43Å
465	G	97.6	Very high	91.9	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.031	30%	0.3	C	S	.	.			trans	74.7	-2.5	179.8	0	0	0	0	0	115.6	V501 K502 F519	G465-V501 WeakPolarHBondContact O-CG1 3.49Å; G465-K502 WeakPolarHBondContact CA-O 3.26Å; G465-K502 PolarHBondContact N-O 3.34Å; G465-F519 WeakPolarHBondContact O-CZ 3.44Å
466	F	98.1	Very high	91.3	Very high	33 Å²	33	60.2 Å²	60.2	15%	0.145	32%	0.32	C	S	.	.			trans	-72.3	150.1	170.1	56.3	-98.9	0	0	0	111.2	G464 C468 T480 V481 Y482 V501 K502	G464-F466 PolarHBondContact O-N 3.11Å; F466-C468 HydrophobicContact CD2-CB 4.39Å; F466-C468 HydrophobicContact CE2-CB 4.39Å; F466-T480 HydrophobicContact CB-CG2 3.9Å; F466-T480 HydrophobicContact CD2-CG2 3.48Å; F466-T480 VanDerWaalsContact CD2-CG2 3.48Å; F466-T480 HydrophobicContact CE2-CG2 4.16Å; F466-T480 HydrophobicContact CG-CG2 3.85Å; F466-V481 WeakPolarHBondContact CA-O 3.49Å; F466-V481 WeakPolarHBondContact CB-O 3.15Å; F466-Y482 HydrophobicContact CB-CD1 3.84Å; F466-Y482 HydrophobicContact CB-CE1 4.12Å; F466-Y482 HydrophobicContact CB-CG 4.46Å; F466-Y482 HydrophobicContact CD1-CD1 4.33Å; F466-Y482 AromaticContact CD1-CE1 3.95Å; F466-Y482 HydrophobicContact CD1-CE1 3.95Å; F466-Y482 HydrophobicContact CG-CD1 4.34Å; F466-Y482 HydrophobicContact CG-CE1 4.12Å; F466-V501 WeakPolarHBondContact O-CA 3.17Å; F466-K502 HydrophobicContact CD1-CB 4.33Å; F466-K502 HydrophobicContact CD2-CB 3.96Å; F466-K502 HydrophobicContact CE1-CB 4Å; F466-K502 HydrophobicContact CE1-CG 3.96Å; F466-K502 HydrophobicContact CE2-CB 3.61Å; F466-K502 HydrophobicContact CE2-CG 4.04Å; F466-K502 HydrophobicContact CG-CB 4.33Å; F466-K502 HydrophobicContact CZ-CB 3.64Å; F466-K502 HydrophobicContact CZ-CD 4.41Å; F466-K502 HydrophobicContact CZ-CG 3.58Å; F466-K502 PolarHBondContact O-N 2.92Å
467	T	98.6	Very high	91.2	Very high	11 Å²	11	65.6 Å²	65.6	7%	0.067	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.8	173.8	-56.2	0	0	0	0	108.7	I451 Y469 T480 V481 K499 F500	I451-T467 HydrophobicContact CD1-CG2 4.1Å; T467-Y469 HydrophobicContact CG2-CD2 4.36Å; T467-Y469 HydrophobicContact CG2-CE2 3.73Å; T467-T480 CarbonylContact O-C 3.57Å; T467-T480 WeakPolarHBondContact O-CA 3.2Å; T467-V481 PolarHBondContact N-O 3.34Å; T467-V481 PolarHBondContact O-N 3.48Å; T467-K499 HydrophobicContact CG2-CB 4.37Å; T467-K499 HydrophobicContact CG2-CD 4.34Å; T467-F500 CarbonylContact C-O 3.53Å; T467-F500 WeakPolarHBondContact CA-O 3.17Å
468	C	97.7	Very high	91.4	Very high	3 Å²	3	66 Å²	66	2%	0.02	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.9	178	-177.9	0	0	0	0	109	F466 L479 K499 F500	F466-C468 HydrophobicContact CD2-CB 4.39Å; F466-C468 HydrophobicContact CE2-CB 4.39Å; C468-L479 CarbonylContact C-O 3.53Å; C468-L479 WeakPolarHBondContact CA-O 3.49Å; C468-K499 CarbonylContact O-C 3.58Å; C468-K499 WeakPolarHBondContact O-CA 3.5Å; C468-K499 WeakPolarHBondContact O-CB 3.34Å; C468-F500 HydrophobicContact CB-CD1 4.21Å; C468-F500 HydrophobicContact CB-CE1 3.64Å; C468-F500 HydrophobicContact CB-CE2 3.96Å; C468-F500 HydrophobicContact CB-CZ 3.5Å; C468-F500 VanDerWaalsContact CB-CZ 3.5Å; C468-F500 PolarHBondContact N-O 3.2Å; C468-F500 PolarHBondContact O-N 3.01Å
469	Y	97	Very high	91.8	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133	173.9	-65.5	-100.3	0	0	0	108.8	D449 T467 L478 L479 V481 V491 R493 T497 L498 K499	D449-Y469 WeakPolarHBondContact CB-OH 3.13Å; D449-Y469 WeakPolarHBondContact OD2-CE1 3.33Å; D449-Y469 PolarHBondContact OD2-OH 3.38Å; T467-Y469 HydrophobicContact CG2-CD2 4.36Å; T467-Y469 HydrophobicContact CG2-CE2 3.73Å; Y469-L478 PolarHBondContact O-N 3.23Å; Y469-L479 HydrophobicContact CD2-CB 4.32Å; Y469-L479 HydrophobicContact CD2-CD2 4.17Å; Y469-L479 HydrophobicContact CD2-CG 4.36Å; Y469-L479 HydrophobicContact CE2-CD2 4.49Å; Y469-L479 PolarHBondContact N-O 3.25Å; Y469-L479 PolarHBondContact O-N 3.28Å; Y469-V481 HydrophobicContact CD2-CG2 4.49Å; Y469-V481 HydrophobicContact CE2-CG2 3.94Å; Y469-V491 HydrophobicContact CD1-CG1 3.92Å; Y469-V491 HydrophobicContact CD2-CG1 4.32Å; Y469-V491 HydrophobicContact CE1-CB 4.01Å; Y469-V491 HydrophobicContact CE1-CG1 3.65Å; Y469-V491 HydrophobicContact CE2-CB 4.17Å; Y469-V491 HydrophobicContact CE2-CG1 4.08Å; Y469-V491 HydrophobicContact CE2-CG2 3.83Å; Y469-V491 HydrophobicContact CG-CG1 4.26Å; Y469-R493 HydrophobicContact CD1-CG 3.81Å; Y469-R493 HydrophobicContact CE1-CG 3.7Å; Y469-T497 HydrophobicContact CD1-CG2 4.03Å; Y469-L498 CarbonylContact C-O 3.52Å; Y469-L498 VanDerWaalsContact CA-O 3.27Å; Y469-L498 WeakPolarHBondContact CA-O 3.36Å; Y469-K499 HydrophobicContact CD1-CB 3.77Å; Y469-K499 HydrophobicContact CE1-CB 3.85Å; Y469-K499 HydrophobicContact CE1-CD 3.84Å; Y469-K499 HydrophobicContact CE1-CG 4.46Å; Y469-K499 HydrophobicContact CG-CB 4.23Å
470	I	94.8	Very high	91.9	Very high	34 Å²	34	61.5 Å²	61.5	17%	0.174	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154	-177.7	71.9	164	0	0	0	110.8	L436 E476 L498 F500	L436-I470 HydrophobicContact CD1-CD1 3.18Å; L436-I470 HydrophobicContact CD1-CG1 3.78Å; I470-E476 WeakPolarHBondContact CA-O 3.36Å; I470-L498 HydrophobicContact CG1-CB 4.24Å; I470-L498 PolarHBondContact N-O 2.96Å; I470-L498 PolarHBondContact O-N 2.78Å; I470-F500 HydrophobicContact CG2-CE1 4.03Å
471	A	91.6	Very high	92	Very high	15 Å²	15	57 Å²	57	12%	0.124	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138	168	0	0	0	0	0	110.2	E474 E476 L478 E496	A471-E474 HydrophobicContact CB-CB 4.01Å; A471-E474 HydrophobicContact CB-CG 4.43Å; A471-E474 PolarHBondContact O-N 3.47Å; A471-E476 PolarHBondContact N-O 2.92Å; A471-L478 HydrophobicContact CB-CD1 4.23Å; A471-L478 HydrophobicContact CB-CD2 4.28Å; A471-L478 HydrophobicContact CB-CG 4.38Å; A471-E496 CarbonylContact C-O 3.51Å
472	N	85.4	Confident	92.2	Very high	48 Å²	48	60 Å²	60	26%	0.257	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	138.5	177.7	-176.3	37.7	0	0	0	109.6	E474 E496 L498	N472-E474 PolarHBondContact O-N 3.21Å; N472-E474 VanDerWaalsContact O-N 3.16Å; N472-E496 WeakPolarHBondContact CB-O 3.4Å; N472-E496 PolarHBondContact N-O 3.08Å; N472-L498 HydrophobicContact CB-CD1 4.28Å; N472-L498 HydrophobicContact CB-CG 4.32Å
473	E	76.5	Confident	92.2	Very high	186 Å²	186	55.3 Å²	55.3	87%	0.869	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	7	-177.1	-51	-173.2	173	0	0	115.9
474	E	75.9	Confident	92.2	Very high	109 Å²	109	57.9 Å²	57.9	51%	0.509	29%	0.286	S	S	.	.	S	Bend	trans	-120.9	150.3	177.1	-61.5	-173	163.7	0	0	111.2	A471 N472 E476	A471-E474 HydrophobicContact CB-CB 4.01Å; A471-E474 HydrophobicContact CB-CG 4.43Å; A471-E474 PolarHBondContact O-N 3.47Å; N472-E474 PolarHBondContact O-N 3.21Å; N472-E474 VanDerWaalsContact O-N 3.16Å; E474-E476 HydrophobicContact CB-CB 4.27Å; E474-E476 PolarHBondContact O-N 2.98Å
475	D	72.9	Confident	92.2	Very high	184 Å²	184	59.5 Å²	59.5	98%	0.984	29%	0.294	S	S	*	.			trans	-83.4	21.7	171.4	-71	-35	0	0	0	111.2
476	E	83.4	Confident	92.2	Very high	116 Å²	116	59.6 Å²	59.6	54%	0.542	29%	0.294	S	S	.	.			trans	-94.1	113.7	-174.6	-171.3	165.4	174.4	0	0	111.5	I470 A471 E474 L478	I470-E476 WeakPolarHBondContact CA-O 3.36Å; A471-E476 PolarHBondContact N-O 2.92Å; E474-E476 HydrophobicContact CB-CB 4.27Å; E474-E476 PolarHBondContact O-N 2.98Å; E476-L478 HydrophobicContact CG-CD2 4.38Å; E476-L478 PolarHBondContact O-N 2.89Å
477	E	91.9	Very high	92.2	Very high	117 Å²	117	58.2 Å²	58.2	55%	0.547	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	119.4	168.2	178.3	176.4	151.8	0	0	109.7	T480	E477-T480 WeakPolarHBondContact OE1-CB 3.3Å; E477-T480 PolarHBondContact OE1-OG1 3.43Å
478	L	94.1	Very high	92.3	Very high	87 Å²	87	57.7 Å²	57.7	46%	0.455	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-45.6	-179.9	-59.1	176.8	0	0	0	111.3	Y469 A471 E476 T497	Y469-L478 PolarHBondContact O-N 3.23Å; A471-L478 HydrophobicContact CB-CD1 4.23Å; A471-L478 HydrophobicContact CB-CD2 4.28Å; A471-L478 HydrophobicContact CB-CG 4.38Å; E476-L478 HydrophobicContact CG-CD2 4.38Å; E476-L478 PolarHBondContact O-N 2.89Å; L478-T497 HydrophobicContact CD1-CG2 4.14Å
479	L	96.7	Very high	92.3	Very high	38 Å²	38	57.7 Å²	57.7	20%	0.199	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	143.2	-173.9	177	67.2	0	0	0	110.9	E294 C468 Y469 V481 V491	E294-L479 HydrophobicContact CB-CD2 3.69Å; E294-L479 HydrophobicContact CG-CD1 4.26Å; E294-L479 HydrophobicContact CG-CD2 3.96Å; C468-L479 CarbonylContact C-O 3.53Å; C468-L479 WeakPolarHBondContact CA-O 3.49Å; Y469-L479 HydrophobicContact CD2-CB 4.32Å; Y469-L479 HydrophobicContact CD2-CD2 4.17Å; Y469-L479 HydrophobicContact CD2-CG 4.36Å; Y469-L479 HydrophobicContact CE2-CD2 4.49Å; Y469-L479 PolarHBondContact N-O 3.25Å; Y469-L479 PolarHBondContact O-N 3.28Å; L479-V481 HydrophobicContact CD2-CG2 4.05Å; L479-V481 HydrophobicContact CG-CG2 4.24Å; L479-V491 HydrophobicContact CD2-CB 4.45Å; L479-V491 HydrophobicContact CD2-CG1 3.9Å; L479-V491 HydrophobicContact CD2-CG2 3.64Å
480	T	97.7	Very high	92.4	Very high	22 Å²	22	57.6 Å²	57.6	14%	0.135	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.8	167.5	-75	0	0	0	0	110.7	F466 T467 E477 Y482	F466-T480 HydrophobicContact CB-CG2 3.9Å; F466-T480 HydrophobicContact CD2-CG2 3.48Å; F466-T480 VanDerWaalsContact CD2-CG2 3.48Å; F466-T480 HydrophobicContact CE2-CG2 4.16Å; F466-T480 HydrophobicContact CG-CG2 3.85Å; T467-T480 CarbonylContact O-C 3.57Å; T467-T480 WeakPolarHBondContact O-CA 3.2Å; E477-T480 WeakPolarHBondContact OE1-CB 3.3Å; E477-T480 PolarHBondContact OE1-OG1 3.43Å; T480-Y482 HydrophobicContact CG2-CD1 4.48Å; T480-Y482 HydrophobicContact CG2-CD2 4.06Å; T480-Y482 HydrophobicContact CG2-CE1 4.04Å; T480-Y482 HydrophobicContact CG2-CE2 3.58Å; T480-Y482 HydrophobicContact CG2-CG 4.48Å
481	V	98.1	Very high	92.6	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.2	175.7	-178.2	0	0	0	0	109.2	I451 F466 T467 Y469 L479 A489 V491	I451-V481 HydrophobicContact CD1-CG1 4.42Å; F466-V481 WeakPolarHBondContact CA-O 3.49Å; F466-V481 WeakPolarHBondContact CB-O 3.15Å; T467-V481 PolarHBondContact N-O 3.34Å; T467-V481 PolarHBondContact O-N 3.48Å; Y469-V481 HydrophobicContact CD2-CG2 4.49Å; Y469-V481 HydrophobicContact CE2-CG2 3.94Å; L479-V481 HydrophobicContact CD2-CG2 4.05Å; L479-V481 HydrophobicContact CG-CG2 4.24Å; V481-A489 HydrophobicContact CG1-CB 3.6Å; V481-V491 HydrophobicContact CG2-CG2 4.09Å
482	Y	97.6	Very high	92.9	Very high	114 Å²	114	59 Å²	59	45%	0.447	29%	0.286	S	S	.	.			trans	-83.5	141.4	175.9	-67	-82.7	0	0	0	111	A461 F466 T480 E484	A461-Y482 HydrophobicContact CB-CD1 3.89Å; A461-Y482 HydrophobicContact CB-CE1 3.42Å; A461-Y482 VanDerWaalsContact CB-CE1 3.42Å; F466-Y482 HydrophobicContact CB-CD1 3.84Å; F466-Y482 HydrophobicContact CB-CE1 4.12Å; F466-Y482 HydrophobicContact CB-CG 4.46Å; F466-Y482 HydrophobicContact CD1-CD1 4.33Å; F466-Y482 AromaticContact CD1-CE1 3.95Å; F466-Y482 HydrophobicContact CD1-CE1 3.95Å; F466-Y482 HydrophobicContact CG-CD1 4.34Å; F466-Y482 HydrophobicContact CG-CE1 4.12Å; T480-Y482 HydrophobicContact CG2-CD1 4.48Å; T480-Y482 HydrophobicContact CG2-CD2 4.06Å; T480-Y482 HydrophobicContact CG2-CE1 4.04Å; T480-Y482 HydrophobicContact CG2-CE2 3.58Å; T480-Y482 HydrophobicContact CG2-CG 4.48Å; Y482-E484 PolarHBondContact O-N 2.83Å; Y482-E484 VanDerWaalsContact O-N 3.17Å
483	P	96.6	Very high	93.4	Very high	18 Å²	18	58.1 Å²	58.1	12%	0.117	28%	0.279	C	S	.	.			trans	-60.5	119.4	172.7	-20.6	33.1	0	0	0	110.3	P453 C456 F519	P453-P483 HydrophobicContact CB-CB 4.29Å; P453-P483 HydrophobicContact CG-CB 4.45Å; C456-P483 HydrophobicContact CB-CB 3.92Å; P483-F519 HydrophobicContact CB-CD2 4.3Å; P483-F519 HydrophobicContact CB-CE2 4.17Å; P483-F519 HydrophobicContact CB-CZ 4.35Å; P483-F519 HydrophobicContact CG-CE1 4.11Å; P483-F519 HydrophobicContact CG-CE2 3.98Å; P483-F519 HydrophobicContact CG-CZ 3.74Å
484	E	97.1	Very high	94.3	Very high	62 Å²	62	52.1 Å²	52.1	29%	0.29	25%	0.253	S	S	.	.			trans	-133.2	130.9	174.3	-173.6	-177.6	-147.1	0	0	108.8	Q296 K298 Y482 N486 S487	Q296-E484 PolarHBondContact NE2-OE2 3.41Å; K298-E484 WeakPolarHBondContact CE-OE1 3.31Å; K298-E484 VanDerWaalsContact CE-OE2 3.24Å; K298-E484 WeakPolarHBondContact CE-OE2 3.47Å; K298-E484 IonicContact NZ-OE1 3.61Å; K298-E484 PolarHBondContact NZ-OE1 3.26Å; K298-E484 IonicContact NZ-OE2 3.73Å; K298-E484 PolarHBondContact NZ-OE2 3.45Å; Y482-E484 PolarHBondContact O-N 2.83Å; Y482-E484 VanDerWaalsContact O-N 3.17Å; E484-N486 PolarHBondContact O-N 3.04Å; E484-S487 VanDerWaalsContact CD-OG 3.24Å; E484-S487 WeakPolarHBondContact CG-OG 3.37Å; E484-S487 PolarHBondContact O-N 3.2Å; E484-S487 PolarHBondContact OE2-OG 3.36Å
485	D	97.5	Very high	95.1	Very high	38 Å²	38	52.6 Å²	52.6	20%	0.203	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	130.4	-175.1	-94.5	-17.8	0	0	0	110.6	F306 G455 C456 A457 S487	F306-D485 HydrophobicContact CE1-CB 4.25Å; F306-D485 HydrophobicContact CE2-CB 4.46Å; F306-D485 HydrophobicContact CZ-CB 3.64Å; G455-D485 WeakPolarHBondContact CA-OD1 3.5Å; G455-D485 PolarHBondContact N-OD1 3.42Å; C456-D485 PolarHBondContact N-OD1 3.4Å; C456-D485 PolarHBondContact N-OD2 3.14Å; C456-D485 PolarHBondContact SG-N 3.31Å; C456-D485 PolarHBondContact SG-OD1 3.42Å; C456-D485 VanDerWaalsContact SG-OD1 3.39Å; A457-D485 WeakPolarHBondContact CB-OD2 3.46Å; A457-D485 PolarHBondContact N-OD2 3.48Å; D485-S487 PolarHBondContact O-N 2.72Å; D485-S487 VanDerWaalsContact O-N 3.16Å
486	N	98.1	Very high	96.1	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.027	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	21.1	178.1	-156.6	18.7	0	0	0	114.4	D299 F300 L301 F306 P453 E484	D299-N486 WeakPolarHBondContact CA-ND2 3.44Å; D299-N486 WeakPolarHBondContact CA-O 3.43Å; D299-N486 PolarHBondContact N-O 3.43Å; F300-N486 PolarHBondContact N-O 2.6Å; L301-N486 VanDerWaalsContact CB-OD1 3.31Å; L301-N486 WeakPolarHBondContact CB-OD1 3.5Å; L301-N486 PolarHBondContact N-OD1 3.28Å; L301-N486 PolarHBondContact O-ND2 3.4Å; F306-N486 HydrophobicContact CB-CB 4.47Å; F306-N486 HydrophobicContact CD1-CB 4.07Å; F306-N486 HydrophobicContact CD2-CB 3.46Å; F306-N486 VanDerWaalsContact CD2-CB 3.46Å; F306-N486 HydrophobicContact CE1-CB 4.18Å; F306-N486 HydrophobicContact CE2-CB 3.61Å; F306-N486 VanDerWaalsContact CE2-N 3.32Å; F306-N486 HydrophobicContact CG-CB 3.72Å; F306-N486 HydrophobicContact CZ-CB 3.98Å; P453-N486 PolarHBondContact O-N 3.21Å; E484-N486 PolarHBondContact O-N 3.04Å
487	S	98.2	Very high	96.5	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.021	22%	0.217	C	C	.	.			trans	-100.9	114.3	174.6	-70.5	0	0	0	0	110.5	L297 P453 E484 D485 A489	L297-S487 CarbonylContact O-C 3.48Å; L297-S487 WeakPolarHBondContact O-CA 3.48Å; P453-S487 WeakPolarHBondContact CD-O 3.48Å; E484-S487 VanDerWaalsContact CD-OG 3.24Å; E484-S487 WeakPolarHBondContact CG-OG 3.37Å; E484-S487 PolarHBondContact O-N 3.2Å; E484-S487 PolarHBondContact OE2-OG 3.36Å; D485-S487 PolarHBondContact O-N 2.72Å; D485-S487 VanDerWaalsContact O-N 3.16Å; S487-A489 PolarHBondContact O-N 3.32Å
488	L	98.7	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.8	174.5	-174.6	76	0	0	0	109.4	L297 F300 F355 L450 I451 L452 L490	L297-L488 HydrophobicContact CB-CB 4.31Å; L297-L488 HydrophobicContact CD1-CD2 4.46Å; L297-L488 PolarHBondContact N-O 2.89Å; L297-L488 PolarHBondContact O-N 3.26Å; F300-L488 HydrophobicContact CB-CB 3.75Å; F300-L488 HydrophobicContact CD1-CB 4.01Å; F300-L488 HydrophobicContact CD1-CD2 3.97Å; F300-L488 HydrophobicContact CD1-CG 4.4Å; F300-L488 HydrophobicContact CD2-CB 3.86Å; F300-L488 HydrophobicContact CD2-CD2 3.73Å; F300-L488 HydrophobicContact CD2-CG 4.42Å; F300-L488 HydrophobicContact CE1-CD2 3.8Å; F300-L488 HydrophobicContact CE2-CD2 3.53Å; F300-L488 HydrophobicContact CG-CB 3.57Å; F300-L488 HydrophobicContact CG-CD2 3.95Å; F300-L488 HydrophobicContact CG-CG 4.31Å; F300-L488 HydrophobicContact CZ-CD2 3.58Å; F355-L488 HydrophobicContact CZ-CD2 4.33Å; L450-L488 HydrophobicContact CD1-CD1 3.97Å; L450-L488 HydrophobicContact CD2-CD1 3.56Å; L450-L488 HydrophobicContact CG-CD1 3.59Å; L450-L488 HydrophobicContact CG-CG 4.44Å; I451-L488 WeakPolarHBondContact O-CA 3.18Å; L452-L488 HydrophobicContact CB-CD1 3.95Å; L452-L488 HydrophobicContact CD1-CB 4.25Å; L452-L488 HydrophobicContact CD1-CD1 4.26Å; L452-L488 HydrophobicContact CG-CD1 4.5Å; L488-L490 HydrophobicContact CD2-CD2 4.22Å; L488-L490 HydrophobicContact CD2-CG 4.4Å; L488-L490 HydrophobicContact CG-CD2 4.31Å
489	A	98.8	Very high	96.8	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.1	170.9	0	0	0	0	0	110.4	I295 L450 I451 V481 S487	I295-A489 WeakPolarHBondContact O-CA 3.43Å; L450-A489 WeakPolarHBondContact CA-O 3.37Å; I451-A489 HydrophobicContact CB-CB 4.34Å; I451-A489 PolarHBondContact N-O 2.77Å; I451-A489 PolarHBondContact O-N 3.03Å; V481-A489 HydrophobicContact CG1-CB 3.6Å; S487-A489 PolarHBondContact O-N 3.32Å
490	L	98.8	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130	172.4	-60.1	177.9	0	0	0	108.4	F289 E294 I295 L359 F362 T363 L448 D449 L450 L488	F289-L490 HydrophobicContact CE2-CB 3.92Å; E294-L490 CarbonylContact C-O 3.54Å; E294-L490 VanDerWaalsContact CA-O 3.26Å; E294-L490 WeakPolarHBondContact CA-O 3.26Å; I295-L490 HydrophobicContact CG2-CB 4.15Å; I295-L490 HydrophobicContact CG2-CD1 4.28Å; I295-L490 HydrophobicContact CG2-CG 4.5Å; I295-L490 PolarHBondContact N-O 3.35Å; I295-L490 PolarHBondContact O-N 3.15Å; L359-L490 HydrophobicContact CD2-CD1 3.9Å; L359-L490 HydrophobicContact CD2-CD2 3.8Å; F362-L490 HydrophobicContact CB-CD1 4.33Å; F362-L490 HydrophobicContact CD2-CD1 4.07Å; T363-L490 HydrophobicContact CG2-CD1 4.26Å; L448-L490 HydrophobicContact CD1-CB 4.28Å; D449-L490 WeakPolarHBondContact O-CA 3.39Å; L450-L490 HydrophobicContact CB-CD2 3.99Å; L450-L490 HydrophobicContact CD1-CD2 3.91Å; L450-L490 HydrophobicContact CG-CD2 3.85Å; L488-L490 HydrophobicContact CD2-CD2 4.22Å; L488-L490 HydrophobicContact CD2-CG 4.4Å; L488-L490 HydrophobicContact CG-CD2 4.31Å
491	V	98.7	Very high	96.9	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.6	178.2	-174.9	0	0	0	0	108.8	E294 D449 Y469 L479 V481	E294-V491 HydrophobicContact CB-CG2 4.29Å; D449-V491 PolarHBondContact N-O 2.92Å; D449-V491 PolarHBondContact O-N 3.24Å; Y469-V491 HydrophobicContact CD1-CG1 3.92Å; Y469-V491 HydrophobicContact CD2-CG1 4.32Å; Y469-V491 HydrophobicContact CE1-CB 4.01Å; Y469-V491 HydrophobicContact CE1-CG1 3.65Å; Y469-V491 HydrophobicContact CE2-CB 4.17Å; Y469-V491 HydrophobicContact CE2-CG1 4.08Å; Y469-V491 HydrophobicContact CE2-CG2 3.83Å; Y469-V491 HydrophobicContact CG-CG1 4.26Å; L479-V491 HydrophobicContact CD2-CB 4.45Å; L479-V491 HydrophobicContact CD2-CG1 3.9Å; L479-V491 HydrophobicContact CD2-CG2 3.64Å; V481-V491 HydrophobicContact CG2-CG2 4.09Å
492	Y	98.4	Very high	96.9	Very high	71 Å²	71	37.6 Å²	37.6	28%	0.278	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.3	172.7	-177	-117.9	0	0	0	109.7	S293 L365 Y446 A447	S293-Y492 PolarHBondContact O-N 3.02Å; L365-Y492 HydrophobicContact CD1-CD2 3.68Å; L365-Y492 HydrophobicContact CD1-CE2 3.98Å; L365-Y492 HydrophobicContact CD1-CG 4.45Å; L365-Y492 HydrophobicContact CD2-CD2 4.28Å; L365-Y492 HydrophobicContact CD2-CE2 3.94Å; Y446-Y492 HydrophobicContact CD1-CE1 4.38Å; Y446-Y492 AromaticContact CD1-CZ 3.86Å; Y446-Y492 WeakPolarHBondContact CD1-OH 3.49Å; A447-Y492 WeakPolarHBondContact O-CD2 3.35Å
493	R	96.4	Very high	96.9	Very high	29 Å²	29	32.5 Å²	32.5	11%	0.109	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141	174.6	-70.1	-167.2	-72.8	92.3	11.3	110.1	Y446 A447 D449 Y469 T497	Y446-R493 VanDerWaalsContact CA-O 3.3Å; Y446-R493 WeakPolarHBondContact CA-O 3.25Å; A447-R493 PolarHBondContact N-O 3.11Å; A447-R493 PolarHBondContact O-N 3.45Å; D449-R493 IonicContact OD1-CZ 3.91Å; D449-R493 IonicContact OD1-NE 3.68Å; D449-R493 IonicContact OD1-NH2 3.67Å; D449-R493 PolarHBondContact OD1-NH2 3.3Å; D449-R493 IonicContact OD2-CZ 2.67Å; D449-R493 IonicContact OD2-NE 3.28Å; D449-R493 PolarHBondContact OD2-NE 2.97Å; D449-R493 IonicContact OD2-NH2 2.78Å; D449-R493 PolarHBondContact OD2-NH2 3.46Å; Y469-R493 HydrophobicContact CD1-CG 3.81Å; Y469-R493 HydrophobicContact CE1-CG 3.7Å; R493-T497 HydrophobicContact CB-CG2 4.24Å; R493-T497 HydrophobicContact CG-CG2 3.69Å
494	D	94.5	Very high	97	Very high	60 Å²	60	31.7 Å²	31.7	32%	0.321	15%	0.148	S	C	.	.			trans	-93.4	-164.7	164.5	66.3	12.7	0	0	0	111.5	Y446 E496 T497	Y446-D494 HydrophobicContact CD1-CB 3.94Å; Y446-D494 HydrophobicContact CE1-CB 3.62Å; D494-E496 VanDerWaalsContact C-N 3.29Å; D494-E496 WeakPolarHBondContact OD1-CA 3.48Å; D494-E496 PolarHBondContact OD1-N 3.37Å; D494-T497 WeakPolarHBondContact OD1-CB 3.34Å; D494-T497 PolarHBondContact OD1-N 3.3Å; D494-T497 PolarHBondContact OD1-OG1 2.93Å
495	K	93.6	Very high	97.1	Very high	119 Å²	119	29.1 Å²	29.1	52%	0.517	14%	0.136	S	C	.	.	S	Bend	trans	-79.9	-9.7	179.6	-62.4	-178.6	178.5	168.9	0	113.7	A444 Y446	A444-K495 WeakPolarHBondContact CB-O 3.12Å; Y446-K495 HydrophobicContact CD2-CG 4.33Å; Y446-K495 HydrophobicContact CE2-CD 4.15Å; Y446-K495 HydrophobicContact CE2-CG 4.09Å
496	E	92.5	Very high	97	Very high	138 Å²	138	30.1 Å²	30.1	65%	0.645	14%	0.139	S	C	*	.	S	Bend	trans	-107.7	-0.6	-180	-63.8	-176.9	-176.2	0	0	111.1	A471 N472 D494	A471-E496 CarbonylContact C-O 3.51Å; N472-E496 WeakPolarHBondContact CB-O 3.4Å; N472-E496 PolarHBondContact N-O 3.08Å; D494-E496 VanDerWaalsContact C-N 3.29Å; D494-E496 WeakPolarHBondContact OD1-CA 3.48Å; D494-E496 PolarHBondContact OD1-N 3.37Å
497	T	93.8	Very high	96.9	Very high	18 Å²	18	33 Å²	33	11%	0.11	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.7	177.8	-53.8	0	0	0	0	111.5	Y469 L478 R493 D494	Y469-T497 HydrophobicContact CD1-CG2 4.03Å; L478-T497 HydrophobicContact CD1-CG2 4.14Å; R493-T497 HydrophobicContact CB-CG2 4.24Å; R493-T497 HydrophobicContact CG-CG2 3.69Å; D494-T497 WeakPolarHBondContact OD1-CB 3.34Å; D494-T497 PolarHBondContact OD1-N 3.3Å; D494-T497 PolarHBondContact OD1-OG1 2.93Å
498	L	94.6	Very high	96.6	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	164.8	173.9	-58.2	179.9	0	0	0	111.1	L436 A441 A444 Y469 I470 N472	L436-L498 HydrophobicContact CD1-CB 4.38Å; L436-L498 HydrophobicContact CD2-CB 3.76Å; L436-L498 HydrophobicContact CD2-CD1 4.43Å; A441-L498 HydrophobicContact CB-CD1 4.02Å; A441-L498 HydrophobicContact CB-CD2 4.35Å; A444-L498 HydrophobicContact CB-CD2 4.34Å; Y469-L498 CarbonylContact C-O 3.52Å; Y469-L498 VanDerWaalsContact CA-O 3.27Å; Y469-L498 WeakPolarHBondContact CA-O 3.36Å; I470-L498 HydrophobicContact CG1-CB 4.24Å; I470-L498 PolarHBondContact N-O 2.96Å; I470-L498 PolarHBondContact O-N 2.78Å; N472-L498 HydrophobicContact CB-CD1 4.28Å; N472-L498 HydrophobicContact CB-CG 4.32Å
499	K	96	Very high	96.1	Very high	54 Å²	54	33.6 Å²	33.6	24%	0.235	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.2	176.6	74.2	-179.1	177.2	-172.9	0	113.4	L436 D449 T467 C468 Y469	L436-K499 WeakPolarHBondContact CD2-O 3.16Å; D449-K499 IonicContact OD1-NZ 3.88Å; D449-K499 PolarHBondContact OD1-NZ 3.41Å; D449-K499 WeakPolarHBondContact OD2-CD 3.44Å; D449-K499 WeakPolarHBondContact OD2-CE 3.28Å; D449-K499 IonicContact OD2-NZ 3.33Å; D449-K499 PolarHBondContact OD2-NZ 2.56Å; T467-K499 HydrophobicContact CG2-CB 4.37Å; T467-K499 HydrophobicContact CG2-CD 4.34Å; C468-K499 CarbonylContact O-C 3.58Å; C468-K499 WeakPolarHBondContact O-CA 3.5Å; C468-K499 WeakPolarHBondContact O-CB 3.34Å; Y469-K499 HydrophobicContact CD1-CB 3.77Å; Y469-K499 HydrophobicContact CE1-CB 3.85Å; Y469-K499 HydrophobicContact CE1-CD 3.84Å; Y469-K499 HydrophobicContact CE1-CG 4.46Å; Y469-K499 HydrophobicContact CG-CB 4.23Å
500	F	97.6	Very high	94.7	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.057	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	159.9	169.7	66.7	-86.7	0	0	0	111.6	D96 T434 L436 T467 C468 I470 K502	D96-F500 HydrophobicContact CB-CB 4Å; D96-F500 HydrophobicContact CB-CD1 3.68Å; D96-F500 HydrophobicContact CB-CD2 3.43Å; D96-F500 VanDerWaalsContact CB-CD2 3.43Å; D96-F500 HydrophobicContact CB-CE1 3.94Å; D96-F500 HydrophobicContact CB-CE2 3.73Å; D96-F500 HydrophobicContact CB-CG 3.41Å; D96-F500 VanDerWaalsContact CB-CG 3.41Å; D96-F500 HydrophobicContact CB-CZ 3.97Å; T434-F500 VanDerWaalsContact OG1-CA 3.27Å; T434-F500 WeakPolarHBondContact OG1-CA 3.41Å; L436-F500 HydrophobicContact CD1-CD1 4.09Å; L436-F500 HydrophobicContact CD2-CB 4.18Å; L436-F500 HydrophobicContact CD2-CD1 4.4Å; L436-F500 HydrophobicContact CG-CB 4.28Å; L436-F500 HydrophobicContact CG-CD1 4.11Å; T467-F500 CarbonylContact C-O 3.53Å; T467-F500 WeakPolarHBondContact CA-O 3.17Å; C468-F500 HydrophobicContact CB-CD1 4.21Å; C468-F500 HydrophobicContact CB-CE1 3.64Å; C468-F500 HydrophobicContact CB-CE2 3.96Å; C468-F500 HydrophobicContact CB-CZ 3.5Å; C468-F500 VanDerWaalsContact CB-CZ 3.5Å; C468-F500 PolarHBondContact N-O 3.2Å; C468-F500 PolarHBondContact O-N 3.01Å; I470-F500 HydrophobicContact CG2-CE1 4.03Å; F500-K502 HydrophobicContact CE2-CB 4.18Å; F500-K502 HydrophobicContact CE2-CD 4.13Å
501	V	98.6	Very high	92.6	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.6	169.6	-177.3	0	0	0	0	108.2	W428 Y433 T434 G465 F466	W428-V501 HydrophobicContact CD2-CG1 4.23Å; W428-V501 HydrophobicContact CE3-CG1 3.87Å; W428-V501 HydrophobicContact CH2-CB 3.65Å; W428-V501 HydrophobicContact CH2-CG1 3.74Å; W428-V501 HydrophobicContact CH2-CG2 3.74Å; W428-V501 HydrophobicContact CZ2-CB 4.15Å; W428-V501 HydrophobicContact CZ2-CG1 4.07Å; W428-V501 HydrophobicContact CZ2-CG2 3.79Å; W428-V501 HydrophobicContact CZ3-CB 3.9Å; W428-V501 HydrophobicContact CZ3-CG1 3.6Å; W428-V501 HydrophobicContact CZ3-CG2 4.45Å; Y433-V501 WeakPolarHBondContact CA-O 3.46Å; T434-V501 HydrophobicContact CG2-CB 4.41Å; T434-V501 HydrophobicContact CG2-CG2 4.45Å; T434-V501 PolarHBondContact N-O 3.36Å; T434-V501 PolarHBondContact OG1-N 3.02Å; G465-V501 WeakPolarHBondContact O-CG1 3.49Å; F466-V501 WeakPolarHBondContact O-CA 3.17Å
502	K	98.5	Very high	90.3	Very high	18 Å²	18	51 Å²	51	8%	0.078	25%	0.25	C	S	.	.			trans	-60.9	140.8	-177.4	-176	64.8	170	177.4	0	110.8	S94 N95 Y98 G465 F466 F500 V504	S94-K502 PolarHBondContact OG-NZ 2.86Å; N95-K502 PolarHBondContact O-NZ 2.89Å; Y98-K502 PolarHBondContact O-NZ 2.86Å; Y98-K502 VanDerWaalsContact O-NZ 3.09Å; G465-K502 WeakPolarHBondContact CA-O 3.26Å; G465-K502 PolarHBondContact N-O 3.34Å; F466-K502 HydrophobicContact CD1-CB 4.33Å; F466-K502 HydrophobicContact CD2-CB 3.96Å; F466-K502 HydrophobicContact CE1-CB 4Å; F466-K502 HydrophobicContact CE1-CG 3.96Å; F466-K502 HydrophobicContact CE2-CB 3.61Å; F466-K502 HydrophobicContact CE2-CG 4.04Å; F466-K502 HydrophobicContact CG-CB 4.33Å; F466-K502 HydrophobicContact CZ-CB 3.64Å; F466-K502 HydrophobicContact CZ-CD 4.41Å; F466-K502 HydrophobicContact CZ-CG 3.58Å; F466-K502 PolarHBondContact O-N 2.92Å; F500-K502 HydrophobicContact CE2-CB 4.18Å; F500-K502 HydrophobicContact CE2-CD 4.13Å; K502-V504 PolarHBondContact O-N 3.46Å
503	H	98.7	Very high	87.8	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.037	26%	0.256	C	S	.	.			trans	-45.4	125.3	174.6	173.4	-104.8	0	0	0	113	L155 E224 D431 G432 G464 N505	L155-H503 HydrophobicContact CD1-CB 4.23Å; E224-H503 IonicContact OE2-CE1 3.74Å; E224-H503 PolarHBondContact OE2-CE1 3.41Å; D431-H503 IonicContact OD1-NE2 2.74Å; D431-H503 PolarHBondContact OD1-NE2 3.23Å; G432-H503 CarbonylContact O-C 3.45Å; G432-H503 WeakPolarHBondContact O-CA 3.32Å; G464-H503 WeakPolarHBondContact CA-O 3.43Å; H503-N505 PolarHBondContact O-N 3.49Å
504	V	98.5	Very high	85.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.294	C	S	.	.			trans	-79.8	108.5	172.7	-179.7	0	0	0	0	108.7	S429 H430 D431 G432 W459 F463 K502 S508	S429-V504 VanDerWaalsContact O-CB 3.25Å; S429-V504 WeakPolarHBondContact O-CB 3.19Å; S429-V504 WeakPolarHBondContact O-CG1 3.38Å; H430-V504 PolarHBondContact CD2-O 3.1Å; D431-V504 PolarHBondContact N-O 3.24Å; G432-V504 PolarHBondContact O-N 2.97Å; W459-V504 HydrophobicContact CH2-CG1 3.55Å; W459-V504 HydrophobicContact CH2-CG2 4.49Å; W459-V504 HydrophobicContact CZ2-CB 4.44Å; W459-V504 HydrophobicContact CZ2-CG1 3.55Å; W459-V504 HydrophobicContact CZ2-CG2 4.03Å; F463-V504 CarbonylContact O-C 3.53Å; F463-V504 VanDerWaalsContact O-CA 3.27Å; F463-V504 WeakPolarHBondContact O-CA 3.43Å; K502-V504 PolarHBondContact O-N 3.46Å; V504-S508 WeakPolarHBondContact CG1-OG 3.47Å
505	N	98	Very high	84.1	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.043	30%	0.303	C	S	.	.			trans	-90.9	172.3	-174.4	67.8	66.5	0	0	0	112.8	T151 E224 H430 E462 F463 H503 K507 S508	T151-N505 HydrophobicContact CG2-CB 4.16Å; T151-N505 WeakPolarHBondContact CG2-OD1 3.35Å; E224-N505 WeakPolarHBondContact OE1-CB 3.16Å; H430-N505 VanDerWaalsContact CD2-C 3.41Å; E462-N505 PolarHBondContact O-ND2 3.44Å; F463-N505 PolarHBondContact O-N 3.37Å; F463-N505 PolarHBondContact O-ND2 2.84Å; H503-N505 PolarHBondContact O-N 3.49Å; N505-K507 PolarHBondContact O-N 2.84Å; N505-K507 VanDerWaalsContact O-N 3.1Å; N505-K507 VanDerWaalsContact OD1-CB 3.23Å; N505-K507 WeakPolarHBondContact OD1-CB 3.46Å; N505-K507 PolarHBondContact OD1-N 3.46Å; N505-S508 VanDerWaalsContact O-CB 3.31Å; N505-S508 WeakPolarHBondContact O-CB 3.22Å; N505-S508 PolarHBondContact O-N 3.06Å; N505-S508 PolarHBondContact O-OG 2.97Å
506	H	96.4	Very high	83.2	Confident	59 Å²	59	53 Å²	53	27%	0.273	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-64.6	-14.4	-173.3	-171.9	-92.5	0	0	0	114.1	Y150 E224 L226 H430 S508 S509	Y150-H506 HydrophobicContact CE2-CB 4.34Å; Y150-H506 AromaticContact CE2-ND1 3.83Å; Y150-H506 AromaticContact CZ-ND1 3.84Å; Y150-H506 PolarHBondContact OH-ND1 3.25Å; E224-H506 WeakPolarHBondContact OE1-CB 3.23Å; E224-H506 PolarHBondContact OE1-N 3.1Å; E224-H506 PolarHBondContact OE2-N 2.91Å; L226-H506 HydrophobicContact CD2-CB 3.73Å; H430-H506 PolarHBondContact CD2-N 3.39Å; H506-S508 PolarHBondContact O-N 3.2Å; H506-S509 VanDerWaalsContact O-CB 3.29Å; H506-S509 WeakPolarHBondContact O-CB 3.46Å; H506-S509 PolarHBondContact O-N 3.04Å
507	K	95.1	Very high	83	Confident	67 Å²	67	49.3 Å²	49.3	29%	0.291	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-62.4	-23.7	169.8	-70.6	176.4	170.9	-171.1	0	112.5	Y150 T151 E462 F463 N505 S509 R517	Y150-K507 HydrophobicContact CE1-CG 3.76Å; T151-K507 HydrophobicContact CG2-CD 3.99Å; T151-K507 HydrophobicContact CG2-CG 3.73Å; E462-K507 HydrophobicContact CB-CD 4.25Å; E462-K507 IonicContact OE2-NZ 2.65Å; E462-K507 PolarHBondContact OE2-NZ 3.47Å; F463-K507 HydrophobicContact CD1-CB 3.51Å; F463-K507 HydrophobicContact CE1-CB 3.8Å; F463-K507 VanDerWaalsContact CE1-O 3.28Å; F463-K507 WeakPolarHBondContact CE1-O 3.14Å; N505-K507 PolarHBondContact O-N 2.84Å; N505-K507 VanDerWaalsContact O-N 3.1Å; N505-K507 VanDerWaalsContact OD1-CB 3.23Å; N505-K507 WeakPolarHBondContact OD1-CB 3.46Å; N505-K507 PolarHBondContact OD1-N 3.46Å; K507-S509 PolarHBondContact O-N 3.47Å; K507-R517 PolarHBondContact O-NH1 2.9Å
508	S	93.3	Very high	83	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65.1	-26.2	172.6	66.6	0	0	0	0	112.7	V504 N505 H506 R517	V504-S508 WeakPolarHBondContact CG1-OG 3.47Å; N505-S508 VanDerWaalsContact O-CB 3.31Å; N505-S508 WeakPolarHBondContact O-CB 3.22Å; N505-S508 PolarHBondContact O-N 3.06Å; N505-S508 PolarHBondContact O-OG 2.97Å; H506-S508 PolarHBondContact O-N 3.2Å; S508-R517 VanDerWaalsContact O-CB 3.29Å; S508-R517 WeakPolarHBondContact O-CB 3.44Å; S508-R517 WeakPolarHBondContact O-CD 3.49Å; S508-R517 WeakPolarHBondContact O-CG 3.46Å; S508-R517 PolarHBondContact O-N 3.14Å; S508-R517 PolarHBondContact O-NH1 2.78Å
509	S	87.4	Confident	83	Confident	14 Å²	14	51.3 Å²	51.3	10%	0.098	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-70.1	143.2	179	-58.4	0	0	0	0	111.9	H506 K507 C516	H506-S509 VanDerWaalsContact O-CB 3.29Å; H506-S509 WeakPolarHBondContact O-CB 3.46Å; H506-S509 PolarHBondContact O-N 3.04Å; K507-S509 PolarHBondContact O-N 3.47Å; S509-C516 PolarHBondContact OG-SG 3.21Å; S509-C516 VanDerWaalsContact OG-SG 3.41Å
510	H	69.4	Low	83	Confident	81 Å²	81	50.1 Å²	50.1	38%	0.375	28%	0.277	S	S	.	.			trans	-70	135.5	174.9	-77.6	-81.9	0	0	0	110.7	D512 S513 T515 R517	H510-D512 PolarHBondContact O-N 3.08Å; H510-S513 WeakPolarHBondContact CB-OG 3.38Å; H510-T515 PolarHBondContact CD2-O 3.29Å; H510-T515 VanDerWaalsContact CD2-O 3.22Å; H510-R517 WeakPolarHBondContact NE2-CG 3.41Å
511	V	55.4	Low	82.3	Confident	139 Å²	139	52 Å²	52	84%	0.842	29%	0.288	S	S	*	.	S	Bend	trans	-64.4	-24.8	178.6	-178.1	0	0	0	0	112.2
512	D	49.7	Very low	81.5	Confident	159 Å²	159	54.4 Å²	54.4	85%	0.85	30%	0.301	S	S	*	.	S	Bend	trans	-128	4.1	-169.9	-69.8	-40.7	0	0	0	115.8	H510	H510-D512 PolarHBondContact O-N 3.08Å
513	S	46.3	Very low	80.5	Confident	56 Å²	56	56.4 Å²	56.4	39%	0.392	31%	0.313	S	S	.	.	S	Bend	trans	-135.8	144.5	177.7	63.2	0	0	0	0	112.7	H510 T515	H510-S513 WeakPolarHBondContact CB-OG 3.38Å; S513-T515 PolarHBondContact O-N 3.11Å; S513-T515 PolarHBondContact OG-OG1 2.57Å; S513-T515 VanDerWaalsContact OG-OG1 3.12Å
514	S	50.9	Low	79.4	Confident	131 Å²	131	59.3 Å²	59.3	92%	0.916	33%	0.33	S	S	*	.	S	Bend	trans	-68.9	23	179	61.5	0	0	0	0	114.7
515	T	61.6	Low	78.3	Confident	82 Å²	82	63 Å²	63	50%	0.503	35%	0.35	S	S	.	.			trans	-125.2	124.4	-176.7	50.8	0	0	0	0	107.9	H510 S513	H510-T515 PolarHBondContact CD2-O 3.29Å; H510-T515 VanDerWaalsContact CD2-O 3.22Å; S513-T515 PolarHBondContact O-N 3.11Å; S513-T515 PolarHBondContact OG-OG1 2.57Å; S513-T515 VanDerWaalsContact OG-OG1 3.12Å
516	C	74.2	Confident	76.9	Confident	52 Å²	52	66.7 Å²	66.7	35%	0.351	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-75.4	149.6	171.1	-61.4	0	0	0	0	109.4	H430 S509	H430-C516 HydrophobicContact CB-CB 4.36Å; S509-C516 PolarHBondContact OG-SG 3.21Å; S509-C516 VanDerWaalsContact OG-SG 3.41Å
517	R	89.6	Confident	75.6	Confident	60 Å²	60	67.2 Å²	67.2	23%	0.226	38%	0.378	C	S	.	.			trans	-63.1	142	166.8	-68.7	-179.6	-174.5	97.9	-13.5	108.4	W459 K507 S508 H510	W459-R517 HydrophobicContact CE3-CB 4.16Å; W459-R517 HydrophobicContact CZ3-CB 3.7Å; K507-R517 PolarHBondContact O-NH1 2.9Å; S508-R517 VanDerWaalsContact O-CB 3.29Å; S508-R517 WeakPolarHBondContact O-CB 3.44Å; S508-R517 WeakPolarHBondContact O-CD 3.49Å; S508-R517 WeakPolarHBondContact O-CG 3.46Å; S508-R517 PolarHBondContact O-N 3.14Å; S508-R517 PolarHBondContact O-NH1 2.78Å; H510-R517 WeakPolarHBondContact NE2-CG 3.41Å
518	E	93.2	Very high	74	Confident	62 Å²	62	67.2 Å²	67.2	29%	0.29	38%	0.384	S	S	.	.			trans	-129.8	145.6	175.9	-50.9	-175.1	157.8	0	0	108.5	R427 W428 Y520	R427-E518 WeakPolarHBondContact CD-OE2 3.4Å; R427-E518 IonicContact CZ-OE1 3.89Å; R427-E518 IonicContact NH1-OE1 2.7Å; R427-E518 PolarHBondContact NH1-OE1 3.28Å; R427-E518 IonicContact NH1-OE2 3.51Å; R427-E518 PolarHBondContact NH1-OE2 3.37Å; W428-E518 WeakPolarHBondContact O-CA 3.27Å; E518-Y520 PolarHBondContact OE2-OH 3.14Å; E518-Y520 VanDerWaalsContact OE2-OH 3.09Å
519	F	95.5	Very high	72.4	Confident	10 Å²	10	72.8 Å²	72.8	4%	0.044	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-129.6	163.4	162.2	74.9	-91.2	0	0	0	109.7	W428 F454 C456 W459 G465 P483	W428-F519 HydrophobicContact CB-CD1 3.72Å; W428-F519 HydrophobicContact CB-CD2 4.18Å; W428-F519 HydrophobicContact CB-CE1 3.32Å; W428-F519 HydrophobicContact CB-CE2 3.83Å; W428-F519 HydrophobicContact CB-CG 4.13Å; W428-F519 HydrophobicContact CB-CZ 3.38Å; W428-F519 AromaticContact CD1-CD2 3.84Å; W428-F519 AromaticContact CD1-CE2 3.22Å; W428-F519 AromaticContact CD1-CZ 3.5Å; W428-F519 HydrophobicContact CD2-CZ 4.25Å; W428-F519 HydrophobicContact CG-CD2 4.31Å; W428-F519 AromaticContact CG-CE1 3.91Å; W428-F519 HydrophobicContact CG-CE1 3.91Å; W428-F519 AromaticContact CG-CE2 3.64Å; W428-F519 HydrophobicContact CG-CE2 3.64Å; W428-F519 AromaticContact CG-CZ 3.4Å; W428-F519 HydrophobicContact CG-CZ 3.4Å; W428-F519 PolarHBondContact N-O 2.98Å; W428-F519 PolarHBondContact O-N 3.05Å; F454-F519 WeakPolarHBondContact O-CA 3.33Å; C456-F519 HydrophobicContact CB-CB 3.73Å; C456-F519 HydrophobicContact CB-CG 4.24Å; W459-F519 AromaticContact CD2-CD1 3.76Å; W459-F519 HydrophobicContact CD2-CD1 3.76Å; W459-F519 HydrophobicContact CD2-CE1 4.17Å; W459-F519 AromaticContact CE2-CD1 3.74Å; W459-F519 AromaticContact CE2-CE1 3.67Å; W459-F519 AromaticContact CE3-CD1 3.79Å; W459-F519 HydrophobicContact CE3-CD1 3.79Å; W459-F519 HydrophobicContact CG-CD1 4.48Å; W459-F519 AromaticContact CH2-CD1 3.78Å; W459-F519 HydrophobicContact CH2-CD1 3.78Å; W459-F519 HydrophobicContact CH2-CE1 4.01Å; W459-F519 AromaticContact CZ2-CD1 3.76Å; W459-F519 HydrophobicContact CZ2-CD1 3.76Å; W459-F519 AromaticContact CZ2-CE1 3.59Å; W459-F519 HydrophobicContact CZ2-CE1 3.59Å; W459-F519 AromaticContact CZ3-CD1 3.8Å; W459-F519 HydrophobicContact CZ3-CD1 3.8Å; W459-F519 HydrophobicContact CZ3-CE1 4.46Å; G465-F519 WeakPolarHBondContact O-CZ 3.44Å; P483-F519 HydrophobicContact CB-CD2 4.3Å; P483-F519 HydrophobicContact CB-CE2 4.17Å; P483-F519 HydrophobicContact CB-CZ 4.35Å; P483-F519 HydrophobicContact CG-CE1 4.11Å; P483-F519 HydrophobicContact CG-CE2 3.98Å; P483-F519 HydrophobicContact CG-CZ 3.74Å
520	Y	96.1	Very high	71.1	Confident	28 Å²	28	78.2 Å²	78.2	11%	0.11	45%	0.445	C	S	.	.			trans	-119.6	0	-172.8	-52.4	-83.5	0	0	0	111.3	L313 R314 W320 R426 R427 P453 F454 E518	L313-Y520 HydrophobicContact CB-CD1 4.21Å; L313-Y520 HydrophobicContact CB-CD2 3.77Å; L313-Y520 HydrophobicContact CB-CE1 4.46Å; L313-Y520 HydrophobicContact CB-CE2 4.07Å; L313-Y520 HydrophobicContact CB-CG 3.87Å; L313-Y520 HydrophobicContact CD1-CD2 4.39Å; L313-Y520 HydrophobicContact CD1-CG 4.2Å; L313-Y520 HydrophobicContact CG-CG 4.43Å; L313-Y520 WeakPolarHBondContact O-CE1 3.34Å; R314-Y520 HydrophobicContact CG-CE2 3.85Å; W320-Y520 AromaticContact CH2-CD1 3.59Å; W320-Y520 HydrophobicContact CH2-CD1 3.59Å; W320-Y520 HydrophobicContact CH2-CE1 4.03Å; W320-Y520 AromaticContact CZ2-CD1 3.65Å; W320-Y520 HydrophobicContact CZ2-CD1 3.65Å; W320-Y520 AromaticContact CZ2-CE1 3.59Å; W320-Y520 HydrophobicContact CZ2-CE1 3.59Å; R426-Y520 VanDerWaalsContact O-CA 3.26Å; R426-Y520 WeakPolarHBondContact O-CA 3.33Å; R427-Y520 HydrophobicContact CB-CD1 3.92Å; R427-Y520 HydrophobicContact CB-CE1 4.12Å; R427-Y520 HydrophobicContact CG-CD1 3.96Å; R427-Y520 HydrophobicContact CG-CE1 3.73Å; P453-Y520 WeakPolarHBondContact CA-O 3.47Å; F454-Y520 PolarHBondContact N-O 3.45Å; F454-Y520 PolarHBondContact O-N 3.21Å; E518-Y520 PolarHBondContact OE2-OH 3.14Å; E518-Y520 VanDerWaalsContact OE2-OH 3.09Å

Retrieved 520 of 520 residues in 1487.4 ms (Link to these results)

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