A0A087YGS9_POEFO Loading...

protein kinase C

AlphaFold DB , UniProt , Accession A0A087YGS9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 975 aa.

						>A0A087YGS9_POEFO|A0A087YGS9
MAADSVQGDARAQLVAERLGLGQNLDLSDTMVQQKLDEIKEQIRREIRKELKIKEGAENLRKVTTDKKSLAYVDNMLKKSNKKVEELHQELQELNAHIVVKDPEELAECPLTPDTPSSEARTCTSNSRLAALKRQNDIELKVKQGAENMIQMYSNGSSKDRKLLAAAQQMLQDSKTKIEFIRMQILKASQATELSFESNDLMADKSIISPLDLRVEELCHHARIESAVAEGAKNVMKLLGSGKVTEKKAHSEAQARFTESSQKLDLLRYSLEERLSELPKNHPRSSAIVEELSLLSSPALSPRSSIISTQNQYSTVTKPAALTGTLDVRLMGCQDLLENVPGRSKAAPSPLPGWSPSETRSSFISRANRNRGVSSRNLTKSEELSNEISAVLKLDNTVVGQTSWKPVSNQAWDQKFTLELDRSRELEISVYWRDWRSLCAVKFLRLEDFLDNQRHGMCLYLEPQGMLFAEVTFFNPVIERRPKLQRQKKIFSKQQGKTFPRAPQMNINIATWGRLVRRAIPNLSTNSFSPQAPEMGHGSVPGSPTPSSDPLVTKLDFDKEPTPGPKHYAAPDDVREPPVQNKMPNKQEVEDALSEFNFLNKRISTVLEPDADGVLEPEFQHPNLELTSIQKDSEIREEEQFHFSLQDFKCVAVLGRGHFGKVLLSEYKSTGEMFAIKALKKGDIVARDEVDSLMCEKRIFETVNSVRHPFLVNLFACFQTSEHVCFVMEYAAGGDLMMHIHADVFSEPRAVFYAACVVLGLQFLHDHKIVYRDLKLDNLLLDTEGYVKIADFGLCKEGMGFRDRTSTFCGTPEFLAPEVLTETSYTRAVDWWGLGVLIFEMLVGESPFPGDDEEEVFDSIVNDEVRYPRFLSTEAISIMRRLLRRSPERRLGAGERDAEEVKKHLFFRNLDWDGLLAKKVKPPFVPTIQGANDVSNFDDEFTSEAPILTPPREPRVLSSEEQNLFSDFDYIADWC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	32.7	Very low	251 Å²	251	128.1 Å²	128.1	100%	1.236	76%	0.758	S	S	*	*				0	131.9	0	-69.8	169.3	171.7	0	0	106.6
2	A	32	Very low	33.1	Very low	107 Å²	107	121.8 Å²	121.8	88%	0.884	73%	0.732	S	S	*	*			trans	-132.6	128.2	-177.3	0	0	0	0	0	109.2
3	A	27.6	Very low	33.6	Very low	87 Å²	87	120.1 Å²	120.1	72%	0.719	71%	0.711	S	S	*	*			trans	-163.3	152.2	169.4	0	0	0	0	0	108.9
4	D	28.7	Very low	34.1	Very low	154 Å²	154	118.9 Å²	118.9	82%	0.824	70%	0.699	S	S	*	*			trans	53.1	99.3	155.3	-52.8	-17.7	0	0	0	120.1
5	S	26.5	Very low	34.8	Very low	125 Å²	125	115.8 Å²	115.8	87%	0.874	68%	0.682	S	S	*	*				-173.1	44.9	120.9	33.8	0	0	0	0	113.5	Q7	S5-Q7 PolarHBondContact O-N 3.47Å
6	V	32.1	Very low	35.5	Very low	144 Å²	144	110.5 Å²	110.5	87%	0.873	66%	0.655	S	S	*	*			trans	-90.4	90.6	164.5	-178.6	0	0	0	0	108.3	G8	V6-G8 PolarHBondContact O-N 3.33Å
7	Q	32	Very low	36.4	Very low	198 Å²	198	113.1 Å²	113.1	93%	0.925	66%	0.659	S	S	*	*			trans	-84.1	69	177.4	-163.2	161.2	10.5	0	0	110.1	S5	S5-Q7 PolarHBondContact O-N 3.47Å
8	G	32	Very low	37	Very low	39 Å²	39	116.3 Å²	116.3	40%	0.402	66%	0.658	S	S	.	*			trans	-66.6	164.8	179.7	0	0	0	0	0	113.6	V6 A10	V6-G8 PolarHBondContact O-N 3.33Å; G8-A10 PolarHBondContact O-N 3.12Å
9	D	41.7	Very low	37.6	Very low	100 Å²	100	111.4 Å²	111.4	54%	0.535	63%	0.63	S	S	.	*			trans	-65.6	105.2	-175.9	-179.9	-0.4	0	0	0	112.4	R11 A12 Q13	D9-R11 PolarHBondContact O-N 3.14Å; D9-R11 WeakPolarHBondContact OD1-CA 3.44Å; D9-R11 WeakPolarHBondContact OD1-CB 3.33Å; D9-R11 PolarHBondContact OD1-N 3.46Å; D9-A12 HydrophobicContact CB-CB 3.91Å; D9-A12 VanDerWaalsContact CG-N 3.33Å; D9-A12 PolarHBondContact O-N 3.1Å; D9-A12 PolarHBondContact OD1-N 2.69Å; D9-A12 VanDerWaalsContact OD1-N 3.14Å; D9-A12 VanDerWaalsContact OD2-CB 3.27Å; D9-A12 WeakPolarHBondContact OD2-CB 3.48Å; D9-A12 PolarHBondContact OD2-N 3.34Å; D9-Q13 WeakPolarHBondContact O-CB 3.43Å; D9-Q13 WeakPolarHBondContact O-CG 3.06Å; D9-Q13 PolarHBondContact O-N 3.12Å
10	A	36.1	Very low	38	Very low	67 Å²	67	109.3 Å²	109.3	55%	0.554	63%	0.634	S	S	*	*	H	α-helix	trans	-66.6	-13.7	178.1	0	0	0	0	0	114.3	G8 L14	G8-A10 PolarHBondContact O-N 3.12Å; A10-L14 WeakPolarHBondContact O-CD1 3.46Å; A10-L14 WeakPolarHBondContact O-CG 3.49Å
11	R	39.8	Very low	38.5	Very low	137 Å²	137	107.2 Å²	107.2	52%	0.517	62%	0.62	S	S	.	*	H	α-helix	trans	-91.4	-42.9	172.7	-82.4	177.7	144.2	-140.4	-20.8	111.8	D9 Q13 L14 V15 E93	D9-R11 PolarHBondContact O-N 3.14Å; D9-R11 WeakPolarHBondContact OD1-CA 3.44Å; D9-R11 WeakPolarHBondContact OD1-CB 3.33Å; D9-R11 PolarHBondContact OD1-N 3.46Å; R11-Q13 VanDerWaalsContact C-N 3.27Å; R11-Q13 PolarHBondContact O-N 3.17Å; R11-L14 PolarHBondContact O-N 3.22Å; R11-V15 PolarHBondContact O-N 2.76Å; R11-E93 IonicContact CZ-OE1 3.19Å; R11-E93 IonicContact CZ-OE2 2.73Å; R11-E93 IonicContact NH1-OE1 3.85Å; R11-E93 PolarHBondContact NH1-OE1 2.97Å; R11-E93 IonicContact NH1-OE2 3.33Å; R11-E93 IonicContact NH2-OE1 2.96Å; R11-E93 PolarHBondContact NH2-OE1 3.11Å; R11-E93 IonicContact NH2-OE2 3.83Å; R11-E93 PolarHBondContact NH2-OE2 3.38Å
12	A	37.6	Very low	38.9	Very low	53 Å²	53	97.9 Å²	97.9	44%	0.438	59%	0.589	S	S	.	*	H	α-helix	trans	-61.4	-36.5	170	0	0	0	0	0	112	D9 L14 V15 A16	D9-A12 HydrophobicContact CB-CB 3.91Å; D9-A12 VanDerWaalsContact CG-N 3.33Å; D9-A12 PolarHBondContact O-N 3.1Å; D9-A12 PolarHBondContact OD1-N 2.69Å; D9-A12 VanDerWaalsContact OD1-N 3.14Å; D9-A12 VanDerWaalsContact OD2-CB 3.27Å; D9-A12 WeakPolarHBondContact OD2-CB 3.48Å; D9-A12 PolarHBondContact OD2-N 3.34Å; A12-L14 PolarHBondContact O-N 3.43Å; A12-V15 PolarHBondContact O-N 3.22Å; A12-A16 PolarHBondContact O-N 2.79Å
13	Q	39.1	Very low	39.2	Very low	99 Å²	99	101.6 Å²	101.6	46%	0.463	59%	0.588	S	S	.	*	H	α-helix	trans	-58.7	-43.3	172.3	-79.8	-177.7	-22.4	0	0	112.6	D9 R11 V15 A16 E17	D9-Q13 WeakPolarHBondContact O-CB 3.43Å; D9-Q13 WeakPolarHBondContact O-CG 3.06Å; D9-Q13 PolarHBondContact O-N 3.12Å; R11-Q13 VanDerWaalsContact C-N 3.27Å; R11-Q13 PolarHBondContact O-N 3.17Å; Q13-V15 VanDerWaalsContact C-N 3.27Å; Q13-V15 PolarHBondContact O-N 3.11Å; Q13-A16 PolarHBondContact O-N 3.11Å; Q13-E17 WeakPolarHBondContact O-CB 3.38Å; Q13-E17 WeakPolarHBondContact O-CG 3.4Å; Q13-E17 PolarHBondContact O-N 3.18Å
14	L	41.1	Very low	40	Very low	104 Å²	104	105.1 Å²	105.1	55%	0.545	59%	0.594	S	S	.	*	H	α-helix	trans	-62.2	-32.5	177	-79.9	165.9	0	0	0	113.2	A10 R11 A12 R18	A10-L14 WeakPolarHBondContact O-CD1 3.46Å; A10-L14 WeakPolarHBondContact O-CG 3.49Å; R11-L14 PolarHBondContact O-N 3.22Å; A12-L14 PolarHBondContact O-N 3.43Å; L14-R18 PolarHBondContact O-N 2.92Å
15	V	43.9	Very low	40.8	Very low	72 Å²	72	101 Å²	101	44%	0.436	57%	0.572	S	S	.	*	H	α-helix	trans	-74.4	-43.9	175.1	179.3	0	0	0	0	110.8	R11 A12 Q13 R18 L19	R11-V15 PolarHBondContact O-N 2.76Å; A12-V15 PolarHBondContact O-N 3.22Å; Q13-V15 VanDerWaalsContact C-N 3.27Å; Q13-V15 PolarHBondContact O-N 3.11Å; V15-R18 PolarHBondContact O-N 2.88Å; V15-L19 HydrophobicContact CG1-CD1 4.02Å; V15-L19 PolarHBondContact O-N 2.75Å
16	A	46.9	Very low	41.5	Very low	31 Å²	31	100.3 Å²	100.3	26%	0.256	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-42.2	177.1	0	0	0	0	0	112.8	A12 Q13 R18 L19 G20 L21	A12-A16 PolarHBondContact O-N 2.79Å; Q13-A16 PolarHBondContact O-N 3.11Å; A16-R18 PolarHBondContact O-N 2.82Å; A16-L19 PolarHBondContact O-N 3.24Å; A16-G20 PolarHBondContact O-N 3.31Å; A16-G20 VanDerWaalsContact O-N 3.09Å; A16-L21 PolarHBondContact O-N 3.08Å
17	E	49.5	Very low	42.1	Very low	154 Å²	154	98.4 Å²	98.4	72%	0.72	54%	0.543	S	S	*	.	H	α-helix	trans	-61.2	-42.2	174.3	-77	-169	132.6	0	0	111.8	Q13 L19 G20	Q13-E17 WeakPolarHBondContact O-CB 3.38Å; Q13-E17 WeakPolarHBondContact O-CG 3.4Å; Q13-E17 PolarHBondContact O-N 3.18Å; E17-L19 VanDerWaalsContact C-N 3.3Å; E17-L19 PolarHBondContact O-N 3.22Å; E17-G20 PolarHBondContact O-N 3.26Å
18	R	48.4	Very low	42.6	Very low	172 Å²	172	90.8 Å²	90.8	65%	0.649	51%	0.512	S	S	*	.	H	α-helix	trans	-66.6	-28.7	174.9	-83.1	-171.1	173.2	-175.2	4.6	113.7	L14 V15 A16 E90	L14-R18 PolarHBondContact O-N 2.92Å; V15-R18 PolarHBondContact O-N 2.88Å; A16-R18 PolarHBondContact O-N 2.82Å; R18-E90 IonicContact CZ-OE1 2.8Å; R18-E90 IonicContact CZ-OE2 2.97Å; R18-E90 IonicContact NH1-OE1 2.85Å; R18-E90 PolarHBondContact NH1-OE1 2.96Å; R18-E90 IonicContact NH1-OE2 3.36Å; R18-E90 PolarHBondContact NH1-OE2 3.22Å
19	L	48.1	Very low	43.5	Very low	23 Å²	23	92.4 Å²	92.4	12%	0.12	51%	0.511	C	S	.	.	H	α-helix	trans	-81.1	-14.8	176.3	-80.1	163.9	0	0	0	113.8	V15 A16 E17 L21 K35 L36 I39	V15-L19 HydrophobicContact CG1-CD1 4.02Å; V15-L19 PolarHBondContact O-N 2.75Å; A16-L19 PolarHBondContact O-N 3.24Å; E17-L19 VanDerWaalsContact C-N 3.3Å; E17-L19 PolarHBondContact O-N 3.22Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 3.06Å; L19-K35 HydrophobicContact CD2-CB 3.79Å; L19-K35 HydrophobicContact CD2-CD 4.2Å; L19-L36 HydrophobicContact CD1-CD2 4.28Å; L19-I39 HydrophobicContact CD2-CD1 3.55Å; L19-I39 HydrophobicContact CG-CD1 4.02Å
20	G	45.6	Very low	44	Very low	69 Å²	69	92.2 Å²	92.2	71%	0.711	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	29	-179	0	0	0	0	0	113.9	A16 E17	A16-G20 PolarHBondContact O-N 3.31Å; A16-G20 VanDerWaalsContact O-N 3.09Å; E17-G20 PolarHBondContact O-N 3.26Å
21	L	47.5	Very low	44.7	Very low	65 Å²	65	94.2 Å²	94.2	34%	0.34	51%	0.513	S	S	.	.			trans	-121.3	146.4	-175.9	-68.5	174.7	0	0	0	111.4	A16 L19 L25	A16-L21 PolarHBondContact O-N 3.08Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 3.06Å; L21-L25 HydrophobicContact CB-CD1 3.94Å; L21-L25 HydrophobicContact CD1-CD1 4.34Å; L21-L25 HydrophobicContact CD1-CD2 4.2Å
22	G	40.7	Very low	45.5	Very low	56 Å²	56	88 Å²	88	58%	0.577	49%	0.49	S	S	*	.			trans	-74.9	174.5	-173.2	0	0	0	0	0	114.9	N24	G22-N24 PolarHBondContact O-N 3.23Å
23	Q	38.9	Very low	46.3	Very low	185 Å²	185	88.4 Å²	88.4	86%	0.864	48%	0.483	S	S	*	.	S	Bend	trans	-68.8	15.4	-170	-66.2	179.7	-23.8	0	0	116.7
24	N	44.7	Very low	47.3	Very low	161 Å²	161	89.4 Å²	89.4	86%	0.861	49%	0.488	S	S	*	.			trans	-132.1	116.1	168.6	-77.1	-54.4	0	0	0	107.8	G22	G22-N24 PolarHBondContact O-N 3.23Å
25	L	44	Very low	48.4	Very low	67 Å²	67	87.9 Å²	87.9	35%	0.351	48%	0.476	S	S	.	.			trans	-138.1	115.3	-176.5	-111.6	162.9	0	0	0	108.7	L21 V32	L21-L25 HydrophobicContact CB-CD1 3.94Å; L21-L25 HydrophobicContact CD1-CD1 4.34Å; L21-L25 HydrophobicContact CD1-CD2 4.2Å; L25-V32 HydrophobicContact CD2-CG1 4.23Å; L25-V32 HydrophobicContact CD2-CG2 3.49Å; L25-V32 VanDerWaalsContact CD2-CG2 3.49Å
26	D	42.4	Very low	49.2	Very low	110 Å²	110	85.4 Å²	85.4	59%	0.588	46%	0.461	S	S	*	.			trans	-79.5	131	164.7	-177.2	27.6	0	0	0	108.6	S28	D26-S28 VanDerWaalsContact CG-OG 3.28Å; D26-S28 PolarHBondContact OD1-OG 3.24Å; D26-S28 PolarHBondContact OD2-OG 3.06Å
27	L	44.4	Very low	50.1	Low	104 Å²	104	87.2 Å²	87.2	55%	0.545	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-13.8	-171.8	-69.4	171.9	0	0	0	112.8	D29	L27-D29 VanDerWaalsContact C-N 3.31Å; L27-D29 PolarHBondContact O-N 3.47Å
28	S	42.7	Very low	51.2	Low	39 Å²	39	86.1 Å²	86.1	27%	0.273	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.1	176.6	6.9	0	0	0	0	115.1	D26 T30	D26-S28 VanDerWaalsContact CG-OG 3.28Å; D26-S28 PolarHBondContact OD1-OG 3.24Å; D26-S28 PolarHBondContact OD2-OG 3.06Å; S28-T30 PolarHBondContact O-N 2.82Å
29	D	49.4	Very low	52.5	Low	72 Å²	72	79.5 Å²	79.5	39%	0.385	44%	0.438	S	S	.	.			trans	-71.5	117.9	-178.6	-179.2	4.4	0	0	0	111.8	L27 M31 V32 Q33	L27-D29 VanDerWaalsContact C-N 3.31Å; L27-D29 PolarHBondContact O-N 3.47Å; D29-M31 PolarHBondContact O-N 3.41Å; D29-M31 VanDerWaalsContact O-N 3.1Å; D29-M31 WeakPolarHBondContact OD1-CB 3.46Å; D29-M31 PolarHBondContact OD1-N 3.02Å; D29-V32 HydrophobicContact CB-CB 4.33Å; D29-V32 HydrophobicContact CB-CG2 3.89Å; D29-V32 WeakPolarHBondContact O-CA 3.14Å; D29-V32 WeakPolarHBondContact O-CB 3.5Å; D29-V32 PolarHBondContact O-N 3.49Å; D29-Q33 PolarHBondContact O-N 3.04Å; D29-Q33 VanDerWaalsContact O-N 3.09Å
30	T	52.5	Low	53.5	Low	96 Å²	96	79.2 Å²	79.2	59%	0.589	44%	0.436	S	S	*	.	H	α-helix	trans	-52.6	-29.4	174.5	60.3	0	0	0	0	114.4	S28 Q33 Q34	S28-T30 PolarHBondContact O-N 2.82Å; T30-Q33 PolarHBondContact O-N 2.82Å; T30-Q34 WeakPolarHBondContact O-CG 3.48Å; T30-Q34 PolarHBondContact O-N 2.67Å
31	M	52.2	Low	54.9	Low	110 Å²	110	79 Å²	79	54%	0.542	42%	0.417	S	S	.	.	H	α-helix	trans	-70.3	-32.3	173.8	-66.9	-132.6	73.2	0	0	112.6	D29 K35	D29-M31 PolarHBondContact O-N 3.41Å; D29-M31 VanDerWaalsContact O-N 3.1Å; D29-M31 WeakPolarHBondContact OD1-CB 3.46Å; D29-M31 PolarHBondContact OD1-N 3.02Å; M31-K35 WeakPolarHBondContact O-CG 3.48Å; M31-K35 PolarHBondContact O-N 2.8Å
32	V	55.3	Low	56.5	Low	7 Å²	7	81.7 Å²	81.7	4%	0.042	43%	0.427	C	S	.	.	H	α-helix	trans	-70.9	-43.8	174.4	177.9	0	0	0	0	109.4	L25 D29 Q34 K35 L36	L25-V32 HydrophobicContact CD2-CG1 4.23Å; L25-V32 HydrophobicContact CD2-CG2 3.49Å; L25-V32 VanDerWaalsContact CD2-CG2 3.49Å; D29-V32 HydrophobicContact CB-CB 4.33Å; D29-V32 HydrophobicContact CB-CG2 3.89Å; D29-V32 WeakPolarHBondContact O-CA 3.14Å; D29-V32 WeakPolarHBondContact O-CB 3.5Å; D29-V32 PolarHBondContact O-N 3.49Å; V32-Q34 PolarHBondContact O-N 3.33Å; V32-K35 PolarHBondContact O-N 3.49Å; V32-L36 HydrophobicContact CG1-CD1 3.84Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CB 3.48Å; V32-L36 VanDerWaalsContact O-CG 3.26Å; V32-L36 WeakPolarHBondContact O-CG 3.2Å; V32-L36 PolarHBondContact O-N 3.33Å
33	Q	55.2	Low	58.3	Low	60 Å²	60	79.4 Å²	79.4	28%	0.28	40%	0.402	S	S	.	.	H	α-helix	trans	-60.5	-43.6	176	-176.4	51.5	39.2	0	0	112.6	D29 T30 L36 D37	D29-Q33 PolarHBondContact O-N 3.04Å; D29-Q33 VanDerWaalsContact O-N 3.09Å; T30-Q33 PolarHBondContact O-N 2.82Å; Q33-L36 PolarHBondContact O-N 3.22Å; Q33-D37 PolarHBondContact NE2-OD2 2.84Å; Q33-D37 PolarHBondContact O-N 2.99Å
34	Q	60.5	Low	60	Low	121 Å²	121	74.7 Å²	74.7	57%	0.565	38%	0.376	S	S	*	.	H	α-helix	trans	-60.1	-46.7	175.1	-75	176.6	7	0	0	112	T30 V32 L36 D37 E38	T30-Q34 WeakPolarHBondContact O-CG 3.48Å; T30-Q34 PolarHBondContact O-N 2.67Å; V32-Q34 PolarHBondContact O-N 3.33Å; Q34-L36 VanDerWaalsContact C-N 3.31Å; Q34-L36 PolarHBondContact O-N 3.45Å; Q34-D37 PolarHBondContact O-N 3.41Å; Q34-E38 WeakPolarHBondContact O-CG 3.26Å; Q34-E38 PolarHBondContact O-N 2.99Å
35	K	63.5	Low	61.7	Low	71 Å²	71	73.6 Å²	73.6	31%	0.309	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-38.9	175.3	-75.1	176.6	175.3	-174.3	0	112.7	L19 M31 V32 E38 I39	L19-K35 HydrophobicContact CD2-CB 3.79Å; L19-K35 HydrophobicContact CD2-CD 4.2Å; M31-K35 WeakPolarHBondContact O-CG 3.48Å; M31-K35 PolarHBondContact O-N 2.8Å; V32-K35 PolarHBondContact O-N 3.49Å; K35-E38 PolarHBondContact O-N 3.14Å; K35-I39 VanDerWaalsContact O-CG1 3.29Å; K35-I39 WeakPolarHBondContact O-CG1 3.47Å; K35-I39 PolarHBondContact O-N 3.07Å
36	L	61.2	Low	63.5	Low	20 Å²	20	73.8 Å²	73.8	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-66.1	-37.3	178.2	-72.9	167.3	0	0	0	111.9	L19 V32 Q33 Q34 I39 K40 L94 I98	L19-L36 HydrophobicContact CD1-CD2 4.28Å; V32-L36 HydrophobicContact CG1-CD1 3.84Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CB 3.48Å; V32-L36 VanDerWaalsContact O-CG 3.26Å; V32-L36 WeakPolarHBondContact O-CG 3.2Å; V32-L36 PolarHBondContact O-N 3.33Å; Q33-L36 PolarHBondContact O-N 3.22Å; Q34-L36 VanDerWaalsContact C-N 3.31Å; Q34-L36 PolarHBondContact O-N 3.45Å; L36-I39 PolarHBondContact O-N 3.42Å; L36-K40 PolarHBondContact O-N 3.24Å; L36-L94 HydrophobicContact CD2-CD1 3.71Å; L36-I98 HydrophobicContact CB-CD1 3.73Å; L36-I98 HydrophobicContact CB-CG1 4.26Å; L36-I98 HydrophobicContact CD1-CD1 4.36Å; L36-I98 HydrophobicContact CD1-CG1 4Å; L36-I98 HydrophobicContact CD2-CD1 4.47Å; L36-I98 HydrophobicContact CG-CD1 4.41Å
37	D	64.9	Low	65.1	Low	69 Å²	69	69 Å²	69	37%	0.369	33%	0.333	S	S	.	.	H	α-helix	trans	-75.6	-31.6	173.7	-74.1	-40.7	0	0	0	113.4	Q33 Q34 I39 K40 E41	Q33-D37 PolarHBondContact NE2-OD2 2.84Å; Q33-D37 PolarHBondContact O-N 2.99Å; Q34-D37 PolarHBondContact O-N 3.41Å; D37-I39 VanDerWaalsContact C-N 3.34Å; D37-K40 WeakPolarHBondContact O-CB 3.45Å; D37-K40 PolarHBondContact O-N 2.93Å; D37-K40 VanDerWaalsContact OD1-CD 3.32Å; D37-K40 WeakPolarHBondContact OD1-CD 3.47Å; D37-K40 WeakPolarHBondContact OD1-CE 3.4Å; D37-K40 IonicContact OD1-NZ 3.21Å; D37-K40 PolarHBondContact OD1-NZ 3.48Å; D37-E41 PolarHBondContact O-N 2.94Å
38	E	73.6	Confident	66.7	Low	132 Å²	132	70.3 Å²	70.3	62%	0.617	33%	0.331	S	S	*	.	H	α-helix	trans	-60.5	-43	167.4	-74.6	-174.3	157	0	0	111.6	Q34 K35 E41 Q42	Q34-E38 WeakPolarHBondContact O-CG 3.26Å; Q34-E38 PolarHBondContact O-N 2.99Å; K35-E38 PolarHBondContact O-N 3.14Å; E38-E41 PolarHBondContact O-N 2.79Å; E38-Q42 WeakPolarHBondContact O-CB 3.44Å; E38-Q42 PolarHBondContact O-N 3.49Å
39	I	75.2	Confident	68.8	Low	33 Å²	33	73.5 Å²	73.5	17%	0.169	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-41.3	174.3	-69.2	169.4	0	0	0	110.6	L19 K35 L36 D37 E41 Q42 I43 L94	L19-I39 HydrophobicContact CD2-CD1 3.55Å; L19-I39 HydrophobicContact CG-CD1 4.02Å; K35-I39 VanDerWaalsContact O-CG1 3.29Å; K35-I39 WeakPolarHBondContact O-CG1 3.47Å; K35-I39 PolarHBondContact O-N 3.07Å; L36-I39 PolarHBondContact O-N 3.42Å; D37-I39 VanDerWaalsContact C-N 3.34Å; I39-E41 PolarHBondContact O-N 3.43Å; I39-Q42 WeakPolarHBondContact O-CA 3.31Å; I39-Q42 WeakPolarHBondContact O-CB 3.49Å; I39-Q42 PolarHBondContact O-N 3.13Å; I39-Q42 VanDerWaalsContact O-N 3.09Å; I39-I43 HydrophobicContact CG2-CD1 3.76Å; I39-I43 HydrophobicContact CG2-CG1 4.27Å; I39-I43 WeakPolarHBondContact O-CG1 3.48Å; I39-I43 PolarHBondContact O-N 2.78Å; I39-L94 HydrophobicContact CB-CD2 4.36Å; I39-L94 HydrophobicContact CG2-CD2 3.73Å
40	K	69.9	Low	70.5	Confident	17 Å²	17	71.3 Å²	71.3	7%	0.074	33%	0.327	C	S	.	.	H	α-helix	trans	-56.2	-48.8	172.1	-74.6	-179.1	-163.6	149.9	0	111.8	L36 D37 Q42 I43 R44 L91 L94 N95	L36-K40 PolarHBondContact O-N 3.24Å; D37-K40 WeakPolarHBondContact O-CB 3.45Å; D37-K40 PolarHBondContact O-N 2.93Å; D37-K40 VanDerWaalsContact OD1-CD 3.32Å; D37-K40 WeakPolarHBondContact OD1-CD 3.47Å; D37-K40 WeakPolarHBondContact OD1-CE 3.4Å; D37-K40 IonicContact OD1-NZ 3.21Å; D37-K40 PolarHBondContact OD1-NZ 3.48Å; K40-Q42 VanDerWaalsContact C-N 3.29Å; K40-Q42 PolarHBondContact O-N 2.95Å; K40-I43 PolarHBondContact O-N 3.38Å; K40-R44 WeakPolarHBondContact O-CB 3.38Å; K40-R44 WeakPolarHBondContact O-CD 3.3Å; K40-R44 WeakPolarHBondContact O-CG 3.48Å; K40-R44 PolarHBondContact O-N 3.25Å; K40-L91 HydrophobicContact CB-CD1 4.3Å; K40-L91 HydrophobicContact CG-CD1 4.16Å; K40-L94 HydrophobicContact CB-CD2 4.43Å; K40-L94 HydrophobicContact CG-CD2 3.58Å; K40-L94 HydrophobicContact CG-CG 4.11Å; K40-N95 WeakPolarHBondContact CE-OD1 3.33Å
41	E	75	Confident	71.7	Confident	65 Å²	65	70.4 Å²	70.4	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-71.3	-22.6	177.1	-83.1	-56	134.6	0	0	113	D37 E38 I39 R44 R45 R48	D37-E41 PolarHBondContact O-N 2.94Å; E38-E41 PolarHBondContact O-N 2.79Å; I39-E41 PolarHBondContact O-N 3.43Å; E41-R44 WeakPolarHBondContact OE1-CD 3.4Å; E41-R44 IonicContact OE1-CZ 2.67Å; E41-R44 IonicContact OE1-NE 2.9Å; E41-R44 IonicContact OE1-NH1 2.94Å; E41-R44 PolarHBondContact OE1-NH1 3.01Å; E41-R45 VanDerWaalsContact O-CB 3.22Å; E41-R45 WeakPolarHBondContact O-CB 3.22Å; E41-R45 WeakPolarHBondContact O-CG 3.15Å; E41-R45 PolarHBondContact O-N 2.82Å; E41-R45 PolarHBondContact O-NE 2.79Å; E41-R48 IonicContact OE1-NH2 2.87Å; E41-R48 IonicContact OE2-CZ 3.81Å; E41-R48 IonicContact OE2-NH1 2.71Å; E41-R48 PolarHBondContact OE2-NH1 2.96Å; E41-R48 IonicContact OE2-NH2 2.74Å; E41-R48 PolarHBondContact OE2-NH2 3.45Å; E41-R48 VanDerWaalsContact OE2-NH2 3.13Å
42	Q	80.4	Confident	73.2	Confident	121 Å²	121	72.4 Å²	72.4	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-67.4	-49.5	168	-173.1	167.2	-21	0	0	111.7	E38 I39 K40 R44 R45 E46	E38-Q42 WeakPolarHBondContact O-CB 3.44Å; E38-Q42 PolarHBondContact O-N 3.49Å; I39-Q42 WeakPolarHBondContact O-CA 3.31Å; I39-Q42 WeakPolarHBondContact O-CB 3.49Å; I39-Q42 PolarHBondContact O-N 3.13Å; I39-Q42 VanDerWaalsContact O-N 3.09Å; K40-Q42 VanDerWaalsContact C-N 3.29Å; K40-Q42 PolarHBondContact O-N 2.95Å; Q42-R44 PolarHBondContact O-N 3.39Å; Q42-R45 VanDerWaalsContact CA-NH2 3.34Å; Q42-R45 PolarHBondContact O-N 3.24Å; Q42-E46 PolarHBondContact O-N 3.01Å
43	I	77.6	Confident	74.5	Confident	7 Å²	7	75.3 Å²	75.3	4%	0.036	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-44.5	176.8	-63.4	165.3	0	0	0	110.3	I39 K40 R45 E46 I47 L87 E90 L91 L94	I39-I43 HydrophobicContact CG2-CD1 3.76Å; I39-I43 HydrophobicContact CG2-CG1 4.27Å; I39-I43 WeakPolarHBondContact O-CG1 3.48Å; I39-I43 PolarHBondContact O-N 2.78Å; K40-I43 PolarHBondContact O-N 3.38Å; I43-R45 PolarHBondContact O-N 2.99Å; I43-E46 PolarHBondContact O-N 3.2Å; I43-I47 HydrophobicContact CG2-CD1 3.94Å; I43-I47 HydrophobicContact CG2-CG1 4.45Å; I43-I47 WeakPolarHBondContact O-CG1 3.36Å; I43-I47 PolarHBondContact O-N 2.73Å; I43-L87 HydrophobicContact CG2-CB 4.29Å; I43-L87 HydrophobicContact CG2-CD2 4.18Å; I43-L87 WeakPolarHBondContact CG2-O 3.26Å; I43-E90 HydrophobicContact CD1-CB 4.39Å; I43-E90 HydrophobicContact CD1-CG 3.93Å; I43-E90 WeakPolarHBondContact CD1-OE1 3.49Å; I43-L91 HydrophobicContact CG2-CB 3.87Å; I43-L91 HydrophobicContact CG2-CD1 4.42Å; I43-L94 HydrophobicContact CD1-CD2 3.77Å
44	R	74.5	Confident	75.9	Confident	86 Å²	86	75 Å²	75	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-38.7	175.1	-68.1	164.1	-176.2	170.1	4.4	112.5	K40 E41 Q42 R48 L91	K40-R44 WeakPolarHBondContact O-CB 3.38Å; K40-R44 WeakPolarHBondContact O-CD 3.3Å; K40-R44 WeakPolarHBondContact O-CG 3.48Å; K40-R44 PolarHBondContact O-N 3.25Å; E41-R44 WeakPolarHBondContact OE1-CD 3.4Å; E41-R44 IonicContact OE1-CZ 2.67Å; E41-R44 IonicContact OE1-NE 2.9Å; E41-R44 IonicContact OE1-NH1 2.94Å; E41-R44 PolarHBondContact OE1-NH1 3.01Å; Q42-R44 PolarHBondContact O-N 3.39Å; R44-R48 WeakPolarHBondContact O-CB 3.34Å; R44-R48 WeakPolarHBondContact O-CD 2.83Å; R44-R48 WeakPolarHBondContact O-CG 3.23Å; R44-R48 PolarHBondContact O-N 3.36Å; R44-L91 HydrophobicContact CG-CD1 4.24Å; R44-L91 HydrophobicContact CG-CD2 3.87Å
45	R	80.4	Confident	76.9	Confident	139 Å²	139	74.8 Å²	74.8	53%	0.525	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-43.6	172	-82	174	-70.5	162.8	-3.3	111.5	E41 Q42 I43 R48 K49	E41-R45 VanDerWaalsContact O-CB 3.22Å; E41-R45 WeakPolarHBondContact O-CB 3.22Å; E41-R45 WeakPolarHBondContact O-CG 3.15Å; E41-R45 PolarHBondContact O-N 2.82Å; E41-R45 PolarHBondContact O-NE 2.79Å; Q42-R45 VanDerWaalsContact CA-NH2 3.34Å; Q42-R45 PolarHBondContact O-N 3.24Å; I43-R45 PolarHBondContact O-N 2.99Å; R45-R48 PolarHBondContact O-N 2.76Å; R45-K49 WeakPolarHBondContact O-CB 3.24Å; R45-K49 PolarHBondContact O-N 3.09Å
46	E	82.1	Confident	77.8	Confident	70 Å²	70	73.4 Å²	73.4	33%	0.327	34%	0.341	S	S	.	.	H	α-helix	trans	-69.2	-37.5	-179.9	-157.6	67.4	-173.6	0	0	111.6	Q42 I43 K49 E50 L87	Q42-E46 PolarHBondContact O-N 3.01Å; I43-E46 PolarHBondContact O-N 3.2Å; E46-K49 PolarHBondContact O-N 2.96Å; E46-K49 IonicContact OE1-NZ 3.63Å; E46-K49 PolarHBondContact OE1-NZ 2.79Å; E46-K49 WeakPolarHBondContact OE2-CD 3.2Å; E46-K49 IonicContact OE2-NZ 2.79Å; E46-K49 PolarHBondContact OE2-NZ 2.88Å; E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 PolarHBondContact O-N 3.1Å; E46-L87 HydrophobicContact CB-CD1 4.11Å; E46-L87 HydrophobicContact CB-CD2 4.46Å; E46-L87 HydrophobicContact CG-CD1 3.92Å; E46-L87 HydrophobicContact CG-CD2 4.49Å
47	I	77.5	Confident	78.8	Confident	11 Å²	11	72.5 Å²	72.5	6%	0.056	34%	0.337	C	S	.	.	H	α-helix	trans	-59.4	-50.3	169.3	-69.4	166.4	0	0	0	110.9	I43 K49 E50 L51 L87 L91	I43-I47 HydrophobicContact CG2-CD1 3.94Å; I43-I47 HydrophobicContact CG2-CG1 4.45Å; I43-I47 WeakPolarHBondContact O-CG1 3.36Å; I43-I47 PolarHBondContact O-N 2.73Å; I47-K49 PolarHBondContact O-N 2.7Å; I47-E50 PolarHBondContact O-N 3.4Å; I47-L51 HydrophobicContact CG2-CD1 3.74Å; I47-L51 HydrophobicContact CG2-CG 4.27Å; I47-L51 WeakPolarHBondContact O-CB 3.26Å; I47-L51 VanDerWaalsContact O-CG 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 2.96Å; I47-L87 HydrophobicContact CD1-CB 4.04Å; I47-L87 HydrophobicContact CG1-CB 3.52Å; I47-L87 HydrophobicContact CG1-CD1 4.16Å; I47-L87 HydrophobicContact CG1-CG 4.43Å; I47-L91 HydrophobicContact CD1-CD2 3.98Å
48	R	77.3	Confident	79.5	Confident	131 Å²	131	72.8 Å²	72.8	49%	0.494	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-33.1	178.2	-70	165.3	-167	138.9	1.4	112.1	E41 R44 R45 K52	E41-R48 IonicContact OE1-NH2 2.87Å; E41-R48 IonicContact OE2-CZ 3.81Å; E41-R48 IonicContact OE2-NH1 2.71Å; E41-R48 PolarHBondContact OE2-NH1 2.96Å; E41-R48 IonicContact OE2-NH2 2.74Å; E41-R48 PolarHBondContact OE2-NH2 3.45Å; E41-R48 VanDerWaalsContact OE2-NH2 3.13Å; R44-R48 WeakPolarHBondContact O-CB 3.34Å; R44-R48 WeakPolarHBondContact O-CD 2.83Å; R44-R48 WeakPolarHBondContact O-CG 3.23Å; R44-R48 PolarHBondContact O-N 3.36Å; R45-R48 PolarHBondContact O-N 2.76Å; R48-K52 WeakPolarHBondContact O-CG 3.27Å; R48-K52 PolarHBondContact O-N 3Å
49	K	85.8	Confident	79.9	Confident	106 Å²	106	69.9 Å²	69.9	46%	0.461	32%	0.324	S	S	.	.	H	α-helix	trans	-76.1	-47	177.5	171.2	-174.9	162.3	-153.2	0	111.9	R45 E46 I47 K52 I53	R45-K49 WeakPolarHBondContact O-CB 3.24Å; R45-K49 PolarHBondContact O-N 3.09Å; E46-K49 PolarHBondContact O-N 2.96Å; E46-K49 IonicContact OE1-NZ 3.63Å; E46-K49 PolarHBondContact OE1-NZ 2.79Å; E46-K49 WeakPolarHBondContact OE2-CD 3.2Å; E46-K49 IonicContact OE2-NZ 2.79Å; E46-K49 PolarHBondContact OE2-NZ 2.88Å; I47-K49 PolarHBondContact O-N 2.7Å; K49-K52 WeakPolarHBondContact O-CB 3.5Å; K49-K52 PolarHBondContact O-N 3.3Å; K49-K52 VanDerWaalsContact O-N 3.16Å; K49-I53 HydrophobicContact CG-CD1 4.31Å; K49-I53 WeakPolarHBondContact O-CG1 3.49Å; K49-I53 PolarHBondContact O-N 3.22Å
50	E	85.3	Confident	80.3	Confident	26 Å²	26	72.1 Å²	72.1	12%	0.121	34%	0.336	C	S	.	.	H	α-helix	trans	-67.4	-36.3	179.7	-164.8	59.6	-133.9	0	0	111.6	E46 I47 K52 I53 K54 S80 K83 V84	E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 PolarHBondContact O-N 3.1Å; I47-E50 PolarHBondContact O-N 3.4Å; E50-K52 VanDerWaalsContact C-N 3.31Å; E50-K52 PolarHBondContact O-N 3.47Å; E50-I53 WeakPolarHBondContact O-CB 3.46Å; E50-I53 PolarHBondContact O-N 2.86Å; E50-I53 VanDerWaalsContact O-N 3.12Å; E50-K54 PolarHBondContact O-N 3.49Å; E50-S80 PolarHBondContact O-OG 3.22Å; E50-S80 VanDerWaalsContact OE1-CA 3.3Å; E50-S80 WeakPolarHBondContact OE1-CA 3.38Å; E50-S80 WeakPolarHBondContact OE1-CB 3.5Å; E50-S80 PolarHBondContact OE1-OG 3.46Å; E50-K83 HydrophobicContact CG-CB 4.08Å; E50-K83 HydrophobicContact CG-CG 4.13Å; E50-V84 HydrophobicContact CB-CG2 3.99Å; E50-V84 HydrophobicContact CG-CG2 3.68Å
51	L	78.6	Confident	80.9	Confident	76 Å²	76	77 Å²	77	40%	0.398	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-36.2	171	-73.3	172	0	0	0	112.8	I47 K54 E55 V84	I47-L51 HydrophobicContact CG2-CD1 3.74Å; I47-L51 HydrophobicContact CG2-CG 4.27Å; I47-L51 WeakPolarHBondContact O-CB 3.26Å; I47-L51 VanDerWaalsContact O-CG 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 2.96Å; L51-K54 WeakPolarHBondContact O-CB 3.48Å; L51-K54 PolarHBondContact O-N 3.38Å; L51-E55 WeakPolarHBondContact O-CB 3.09Å; L51-E55 PolarHBondContact O-N 3.2Å; L51-V84 HydrophobicContact CD2-CG1 4.15Å; L51-V84 HydrophobicContact CD2-CG2 4.15Å; L51-V84 HydrophobicContact CG-CG2 4.39Å
52	K	82.6	Confident	81.1	Confident	152 Å²	152	80.9 Å²	80.9	66%	0.661	37%	0.37	S	S	*	.	H	α-helix	trans	-70.2	-33.8	172.6	-74.6	-179.1	177	-170.8	0	112.7	R48 K49 E50 G56	R48-K52 WeakPolarHBondContact O-CG 3.27Å; R48-K52 PolarHBondContact O-N 3Å; K49-K52 WeakPolarHBondContact O-CB 3.5Å; K49-K52 PolarHBondContact O-N 3.3Å; K49-K52 VanDerWaalsContact O-N 3.16Å; E50-K52 VanDerWaalsContact C-N 3.31Å; E50-K52 PolarHBondContact O-N 3.47Å; K52-G56 PolarHBondContact O-N 3.28Å
53	I	84	Confident	81.2	Confident	69 Å²	69	80.3 Å²	80.3	35%	0.354	38%	0.375	S	S	.	.	H	α-helix	trans	-65.5	-43.9	172.9	-68	166.8	0	0	0	109.9	K49 E50 G56 A57	K49-I53 HydrophobicContact CG-CD1 4.31Å; K49-I53 WeakPolarHBondContact O-CG1 3.49Å; K49-I53 PolarHBondContact O-N 3.22Å; E50-I53 WeakPolarHBondContact O-CB 3.46Å; E50-I53 PolarHBondContact O-N 2.86Å; E50-I53 VanDerWaalsContact O-N 3.12Å; I53-G56 PolarHBondContact O-N 3.23Å; I53-A57 WeakPolarHBondContact O-CB 3.21Å; I53-A57 PolarHBondContact O-N 2.78Å
54	K	83.8	Confident	81.3	Confident	54 Å²	54	81.3 Å²	81.3	24%	0.235	38%	0.381	C	S	.	.	H	α-helix	trans	-58.9	-49.9	172.3	179.3	178.3	171.4	169.7	0	112.2	E50 L51 G56 A57 E58 L77 N81	E50-K54 PolarHBondContact O-N 3.49Å; L51-K54 WeakPolarHBondContact O-CB 3.48Å; L51-K54 PolarHBondContact O-N 3.38Å; K54-G56 PolarHBondContact O-N 2.89Å; K54-A57 CarbonylContact O-C 3.54Å; K54-A57 PolarHBondContact O-N 3.14Å; K54-E58 VanDerWaalsContact CE-OE1 3.24Å; K54-E58 WeakPolarHBondContact CE-OE1 3.42Å; K54-E58 PolarHBondContact O-N 3.49Å; K54-L77 HydrophobicContact CG-CD2 3.97Å; K54-N81 WeakPolarHBondContact CD-OD1 3.18Å; K54-N81 WeakPolarHBondContact CE-OD1 3.33Å; K54-N81 PolarHBondContact NZ-OD1 3.05Å
55	E	81.4	Confident	81.3	Confident	116 Å²	116	84.1 Å²	84.1	54%	0.542	41%	0.408	S	S	.	.	H	α-helix	trans	-58.4	-46.6	178	-176.3	-174.6	-176.8	0	0	111.6	L51 A57 E58 N59	L51-E55 WeakPolarHBondContact O-CB 3.09Å; L51-E55 PolarHBondContact O-N 3.2Å; E55-A57 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 2.69Å; E55-E58 PolarHBondContact O-N 3.48Å; E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 3.19Å; E55-N59 PolarHBondContact O-ND2 2.68Å
56	G	82.3	Confident	81.6	Confident	41 Å²	41	81 Å²	81	42%	0.423	40%	0.402	S	S	.	.	H	α-helix	trans	-59.4	-42.3	174.6	0	0	0	0	0	112.6	K52 I53 K54 N59 L60	K52-G56 PolarHBondContact O-N 3.28Å; I53-G56 PolarHBondContact O-N 3.23Å; K54-G56 PolarHBondContact O-N 2.89Å; G56-N59 PolarHBondContact O-N 3.23Å; G56-L60 VanDerWaalsContact O-CB 3.31Å; G56-L60 WeakPolarHBondContact O-CB 3.3Å; G56-L60 PolarHBondContact O-N 2.88Å
57	A	82.9	Confident	81.4	Confident	2 Å²	2	86.4 Å²	86.4	2%	0.017	42%	0.424	C	S	.	.	H	α-helix	trans	-69.7	-36.9	176.8	0	0	0	0	0	112.9	I53 K54 E55 L60 R61 V73 M76 L77	I53-A57 WeakPolarHBondContact O-CB 3.21Å; I53-A57 PolarHBondContact O-N 2.78Å; K54-A57 CarbonylContact O-C 3.54Å; K54-A57 PolarHBondContact O-N 3.14Å; E55-A57 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 2.69Å; A57-L60 PolarHBondContact O-N 2.71Å; A57-R61 VanDerWaalsContact O-CB 3.3Å; A57-R61 WeakPolarHBondContact O-CB 3.41Å; A57-R61 PolarHBondContact O-N 3.08Å; A57-V73 HydrophobicContact CB-CG1 4.36Å; A57-V73 WeakPolarHBondContact O-CG1 3.31Å; A57-M76 HydrophobicContact CB-CE 4.48Å; A57-L77 HydrophobicContact CB-CD2 3.6Å; A57-L77 HydrophobicContact CB-CG 3.91Å
58	E	79.8	Confident	81.4	Confident	74 Å²	74	94.3 Å²	94.3	35%	0.346	46%	0.458	S	S	.	.	H	α-helix	trans	-66.4	-39	173.1	-76.4	-169.1	-166.8	0	0	111.8	K54 E55 R61 K62 L77	K54-E58 VanDerWaalsContact CE-OE1 3.24Å; K54-E58 WeakPolarHBondContact CE-OE1 3.42Å; K54-E58 PolarHBondContact O-N 3.49Å; E55-E58 PolarHBondContact O-N 3.48Å; E58-R61 WeakPolarHBondContact O-CB 3.38Å; E58-R61 PolarHBondContact O-N 3.34Å; E58-K62 WeakPolarHBondContact O-CE 3.27Å; E58-K62 VanDerWaalsContact O-CG 3.27Å; E58-K62 WeakPolarHBondContact O-CG 3.41Å; E58-K62 PolarHBondContact O-N 3.48Å; E58-K62 VanDerWaalsContact O-N 3.07Å; E58-L77 HydrophobicContact CG-CD1 4.19Å; E58-L77 HydrophobicContact CG-CD2 3.64Å
59	N	82.4	Confident	81.3	Confident	71 Å²	71	90.8 Å²	90.8	38%	0.38	45%	0.454	S	S	.	.	H	α-helix	trans	-70.2	-38.9	176.3	-69.3	-25	0	0	0	111.5	E55 G56 R61 K62 V63	E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 3.19Å; E55-N59 PolarHBondContact O-ND2 2.68Å; G56-N59 PolarHBondContact O-N 3.23Å; N59-R61 VanDerWaalsContact C-N 3.31Å; N59-R61 PolarHBondContact O-N 3.21Å; N59-K62 PolarHBondContact O-N 3.28Å; N59-K62 PolarHBondContact OD1-NZ 2.9Å; N59-V63 PolarHBondContact O-N 3.33Å
60	L	82	Confident	81.1	Confident	81 Å²	81	88.6 Å²	88.6	42%	0.424	45%	0.447	S	S	.	.	H	α-helix	trans	-61.5	-39.3	170.8	-174	60.3	0	0	0	111.7	G56 A57 K62 V63 T64 V73	G56-L60 VanDerWaalsContact O-CB 3.31Å; G56-L60 WeakPolarHBondContact O-CB 3.3Å; G56-L60 PolarHBondContact O-N 2.88Å; A57-L60 PolarHBondContact O-N 2.71Å; L60-K62 PolarHBondContact O-N 3.38Å; L60-V63 HydrophobicContact CD1-CG2 4.36Å; L60-V63 WeakPolarHBondContact O-CG2 3.32Å; L60-V63 PolarHBondContact O-N 2.94Å; L60-T64 WeakPolarHBondContact O-CB 3.35Å; L60-T64 PolarHBondContact O-N 2.78Å; L60-T64 PolarHBondContact O-OG1 2.98Å; L60-V73 HydrophobicContact CD2-CG2 3.77Å; L60-V73 HydrophobicContact CG-CG2 3.96Å
61	R	82.8	Confident	81	Confident	120 Å²	120	90.2 Å²	90.2	45%	0.453	47%	0.465	S	S	.	.	H	α-helix	trans	-63	-37.9	175.7	-172.6	178.3	-171.3	-116	5.5	112.9	A57 E58 N59 V63 L70 V73 D74 L77	A57-R61 VanDerWaalsContact O-CB 3.3Å; A57-R61 WeakPolarHBondContact O-CB 3.41Å; A57-R61 PolarHBondContact O-N 3.08Å; E58-R61 WeakPolarHBondContact O-CB 3.38Å; E58-R61 PolarHBondContact O-N 3.34Å; N59-R61 VanDerWaalsContact C-N 3.31Å; N59-R61 PolarHBondContact O-N 3.21Å; R61-V63 VanDerWaalsContact C-N 3.27Å; R61-V63 PolarHBondContact O-N 3.49Å; R61-L70 HydrophobicContact CG-CD1 4.25Å; R61-V73 HydrophobicContact CB-CG1 3.76Å; R61-V73 HydrophobicContact CG-CG1 4.47Å; R61-D74 IonicContact CZ-OD1 2.69Å; R61-D74 IonicContact NE-OD1 3.57Å; R61-D74 PolarHBondContact NE-OD1 3.42Å; R61-D74 IonicContact NH2-OD1 2.7Å; R61-D74 PolarHBondContact NH2-OD1 3.05Å; R61-D74 VanDerWaalsContact NH2-OD1 3.12Å; R61-D74 IonicContact NH2-OD2 2.66Å; R61-L77 VanDerWaalsContact CD-CD1 3.48Å
62	K	80.8	Confident	81.4	Confident	146 Å²	146	94.3 Å²	94.3	64%	0.635	48%	0.476	S	S	*	.	H	α-helix	trans	-65.9	-26.3	177.8	-68.8	161.6	-157.6	164.7	0	112.9	E58 N59 L60	E58-K62 WeakPolarHBondContact O-CE 3.27Å; E58-K62 VanDerWaalsContact O-CG 3.27Å; E58-K62 WeakPolarHBondContact O-CG 3.41Å; E58-K62 PolarHBondContact O-N 3.48Å; E58-K62 VanDerWaalsContact O-N 3.07Å; N59-K62 PolarHBondContact O-N 3.28Å; N59-K62 PolarHBondContact OD1-NZ 2.9Å; L60-K62 PolarHBondContact O-N 3.38Å
63	V	80.6	Confident	81.5	Confident	108 Å²	108	87.2 Å²	87.2	66%	0.655	45%	0.445	S	S	*	.	H	α-helix	trans	-104.5	-10	-179.4	-57.8	0	0	0	0	114.6	N59 L60 R61	N59-V63 PolarHBondContact O-N 3.33Å; L60-V63 HydrophobicContact CD1-CG2 4.36Å; L60-V63 WeakPolarHBondContact O-CG2 3.32Å; L60-V63 PolarHBondContact O-N 2.94Å; R61-V63 VanDerWaalsContact C-N 3.27Å; R61-V63 PolarHBondContact O-N 3.49Å
64	T	81.6	Confident	81.4	Confident	28 Å²	28	86.2 Å²	86.2	17%	0.172	44%	0.441	C	S	.	.			trans	-85.2	115	-176.6	-64.3	0	0	0	0	111.7	L60 S69 L70	L60-T64 WeakPolarHBondContact O-CB 3.35Å; L60-T64 PolarHBondContact O-N 2.78Å; L60-T64 PolarHBondContact O-OG1 2.98Å; T64-S69 VanDerWaalsContact CG2-CB 3.44Å; T64-L70 HydrophobicContact CG2-CB 4.34Å
65	T	74.5	Confident	81.7	Confident	146 Å²	146	87.5 Å²	87.5	90%	0.896	45%	0.45	S	S	*	.			trans	-99.4	-18.9	179.2	53.4	0	0	0	0	114.4
66	D	86.6	Confident	81.8	Confident	73 Å²	73	85 Å²	85	39%	0.39	44%	0.439	S	S	.	.			trans	-75.6	132.8	175.4	163.6	-123	0	0	0	112.2	K68 S69 L70	D66-K68 PolarHBondContact O-N 3.39Å; D66-K68 WeakPolarHBondContact OD1-CB 3.46Å; D66-K68 PolarHBondContact OD1-N 3.39Å; D66-K68 PolarHBondContact OD2-N 2.93Å; D66-K68 VanDerWaalsContact OD2-N 3.1Å; D66-S69 PolarHBondContact O-N 3.37Å; D66-S69 VanDerWaalsContact OD1-CB 3.25Å; D66-S69 WeakPolarHBondContact OD1-CB 3.46Å; D66-S69 PolarHBondContact OD1-N 3.13Å; D66-S69 PolarHBondContact OD1-OG 3.18Å; D66-L70 WeakPolarHBondContact O-CB 3.43Å; D66-L70 PolarHBondContact O-N 2.75Å
67	K	77.4	Confident	81.9	Confident	184 Å²	184	83.7 Å²	83.7	80%	0.8	42%	0.423	S	S	*	.	H	α-helix	trans	-66.3	-30	-178.3	-165.7	175.3	-175.4	177.4	0	113.8	A71	K67-A71 PolarHBondContact O-N 3.17Å
68	K	77.4	Confident	82	Confident	176 Å²	176	91.1 Å²	91.1	77%	0.765	45%	0.454	S	S	*	.	H	α-helix	trans	-74.9	-46.1	175.2	-72.1	-178.8	177.3	177.9	0	111	D66 A71 Y72	D66-K68 PolarHBondContact O-N 3.39Å; D66-K68 WeakPolarHBondContact OD1-CB 3.46Å; D66-K68 PolarHBondContact OD1-N 3.39Å; D66-K68 PolarHBondContact OD2-N 2.93Å; D66-K68 VanDerWaalsContact OD2-N 3.1Å; K68-A71 PolarHBondContact O-N 2.75Å; K68-Y72 PolarHBondContact O-N 2.86Å
69	S	75.1	Confident	82.3	Confident	57 Å²	57	94.3 Å²	94.3	40%	0.399	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-42.7	177.8	-57.9	0	0	0	0	111.5	T64 D66 A71 Y72 V73	T64-S69 VanDerWaalsContact CG2-CB 3.44Å; D66-S69 PolarHBondContact O-N 3.37Å; D66-S69 VanDerWaalsContact OD1-CB 3.25Å; D66-S69 WeakPolarHBondContact OD1-CB 3.46Å; D66-S69 PolarHBondContact OD1-N 3.13Å; D66-S69 PolarHBondContact OD1-OG 3.18Å; S69-A71 VanDerWaalsContact C-N 3.32Å; S69-A71 PolarHBondContact O-N 3.44Å; S69-Y72 WeakPolarHBondContact O-CB 3.34Å; S69-Y72 PolarHBondContact O-N 2.82Å; S69-Y72 VanDerWaalsContact O-N 3.13Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.31Å
70	L	81.9	Confident	82.4	Confident	60 Å²	60	91 Å²	91	31%	0.314	45%	0.45	S	S	.	.	H	α-helix	trans	-57.9	-43	175.9	-164.1	91.4	0	0	0	112	R61 T64 D66 Y72 V73 D74	R61-L70 HydrophobicContact CG-CD1 4.25Å; T64-L70 HydrophobicContact CG2-CB 4.34Å; D66-L70 WeakPolarHBondContact O-CB 3.43Å; D66-L70 PolarHBondContact O-N 2.75Å; L70-Y72 VanDerWaalsContact C-N 3.31Å; L70-Y72 PolarHBondContact O-N 3.15Å; L70-V73 PolarHBondContact O-N 3.06Å; L70-D74 PolarHBondContact O-N 2.82Å
71	A	83.6	Confident	82.1	Confident	61 Å²	61	89.7 Å²	89.7	50%	0.504	44%	0.443	S	S	.	.	H	α-helix	trans	-67.1	-30	178.6	0	0	0	0	0	113.2	K67 K68 S69 N75	K67-A71 PolarHBondContact O-N 3.17Å; K68-A71 PolarHBondContact O-N 2.75Å; S69-A71 VanDerWaalsContact C-N 3.32Å; S69-A71 PolarHBondContact O-N 3.44Å; A71-N75 WeakPolarHBondContact O-CB 3.39Å; A71-N75 PolarHBondContact O-N 3.12Å
72	Y	85.5	Confident	82.1	Confident	161 Å²	161	89.8 Å²	89.8	63%	0.631	45%	0.447	S	S	*	.	H	α-helix	trans	-68.8	-44	171.4	178.1	-96.6	0	0	0	111.4	K68 S69 L70 N75 M76	K68-Y72 PolarHBondContact O-N 2.86Å; S69-Y72 WeakPolarHBondContact O-CB 3.34Å; S69-Y72 PolarHBondContact O-N 2.82Å; S69-Y72 VanDerWaalsContact O-N 3.13Å; L70-Y72 VanDerWaalsContact C-N 3.31Å; L70-Y72 PolarHBondContact O-N 3.15Å; Y72-N75 WeakPolarHBondContact O-CB 3.36Å; Y72-N75 PolarHBondContact O-N 3.08Å; Y72-M76 HydrophobicContact CD1-SD 4.01Å; Y72-M76 HydrophobicContact CE1-CG 4.19Å; Y72-M76 HydrophobicContact CE1-SD 3.44Å; Y72-M76 WeakPolarHBondContact CE1-SD 3.49Å; Y72-M76 PolarHBondContact O-N 3.04Å
73	V	85.8	Confident	82.2	Confident	3 Å²	3	86.1 Å²	86.1	2%	0.018	43%	0.431	C	S	.	.	H	α-helix	trans	-68.2	-40.6	178.7	-178.8	0	0	0	0	112.2	A57 L60 R61 S69 L70 N75 M76 L77	A57-V73 HydrophobicContact CB-CG1 4.36Å; A57-V73 WeakPolarHBondContact O-CG1 3.31Å; L60-V73 HydrophobicContact CD2-CG2 3.77Å; L60-V73 HydrophobicContact CG-CG2 3.96Å; R61-V73 HydrophobicContact CB-CG1 3.76Å; R61-V73 HydrophobicContact CG-CG1 4.47Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.31Å; L70-V73 PolarHBondContact O-N 3.06Å; V73-N75 PolarHBondContact O-N 3.07Å; V73-M76 WeakPolarHBondContact O-CB 3.37Å; V73-M76 PolarHBondContact O-N 2.79Å; V73-L77 HydrophobicContact CG1-CD1 4.49Å; V73-L77 PolarHBondContact O-N 3.35Å
74	D	82.6	Confident	82	Confident	49 Å²	49	81.8 Å²	81.8	26%	0.262	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-32.2	172.3	-87.6	-13.4	0	0	0	112.1	R61 L70 K78	R61-D74 IonicContact CZ-OD1 2.69Å; R61-D74 IonicContact NE-OD1 3.57Å; R61-D74 PolarHBondContact NE-OD1 3.42Å; R61-D74 IonicContact NH2-OD1 2.7Å; R61-D74 PolarHBondContact NH2-OD1 3.05Å; R61-D74 VanDerWaalsContact NH2-OD1 3.12Å; R61-D74 IonicContact NH2-OD2 2.66Å; L70-D74 PolarHBondContact O-N 2.82Å; D74-K78 WeakPolarHBondContact O-CG 3.5Å; D74-K78 PolarHBondContact O-N 2.62Å; D74-K78 VanDerWaalsContact O-N 3.12Å
75	N	88.3	Confident	81.4	Confident	81 Å²	81	86.3 Å²	86.3	43%	0.433	42%	0.424	S	S	.	.	H	α-helix	trans	-72.9	-41.1	174.8	-167.5	-9	0	0	0	111.5	A71 Y72 V73 L77 K78 K79	A71-N75 WeakPolarHBondContact O-CB 3.39Å; A71-N75 PolarHBondContact O-N 3.12Å; Y72-N75 WeakPolarHBondContact O-CB 3.36Å; Y72-N75 PolarHBondContact O-N 3.08Å; V73-N75 PolarHBondContact O-N 3.07Å; N75-L77 PolarHBondContact O-N 3.24Å; N75-K78 PolarHBondContact O-N 3.26Å; N75-K79 WeakPolarHBondContact O-CG 3.37Å; N75-K79 PolarHBondContact O-N 3.36Å; N75-K79 WeakPolarHBondContact OD1-CE 3.29Å
76	M	84.3	Confident	81.6	Confident	63 Å²	63	82.7 Å²	82.7	31%	0.31	40%	0.397	S	S	.	.	H	α-helix	trans	-57.3	-47.8	170.8	-72.9	179.9	61.7	0	0	111.5	A57 Y72 V73 K78 K79 S80	A57-M76 HydrophobicContact CB-CE 4.48Å; Y72-M76 HydrophobicContact CD1-SD 4.01Å; Y72-M76 HydrophobicContact CE1-CG 4.19Å; Y72-M76 HydrophobicContact CE1-SD 3.44Å; Y72-M76 WeakPolarHBondContact CE1-SD 3.49Å; Y72-M76 PolarHBondContact O-N 3.04Å; V73-M76 WeakPolarHBondContact O-CB 3.37Å; V73-M76 PolarHBondContact O-N 2.79Å; M76-K78 PolarHBondContact O-N 3Å; M76-K79 PolarHBondContact O-N 3.01Å; M76-S80 VanDerWaalsContact O-CB 3.31Å; M76-S80 WeakPolarHBondContact O-CB 3.38Å; M76-S80 PolarHBondContact O-N 3.04Å
77	L	83.8	Confident	81.1	Confident	14 Å²	14	79.7 Å²	79.7	7%	0.073	38%	0.381	C	S	.	.	H	α-helix	trans	-62.2	-39.8	179.2	-73.7	171.8	0	0	0	113	K54 A57 E58 R61 V73 N75 S80 N81	K54-L77 HydrophobicContact CG-CD2 3.97Å; A57-L77 HydrophobicContact CB-CD2 3.6Å; A57-L77 HydrophobicContact CB-CG 3.91Å; E58-L77 HydrophobicContact CG-CD1 4.19Å; E58-L77 HydrophobicContact CG-CD2 3.64Å; R61-L77 VanDerWaalsContact CD-CD1 3.48Å; V73-L77 HydrophobicContact CG1-CD1 4.49Å; V73-L77 PolarHBondContact O-N 3.35Å; N75-L77 PolarHBondContact O-N 3.24Å; L77-S80 PolarHBondContact O-N 2.84Å; L77-N81 WeakPolarHBondContact O-CB 3.38Å; L77-N81 PolarHBondContact O-N 2.91Å; L77-N81 PolarHBondContact O-ND2 3.08Å
78	K	85.8	Confident	80.8	Confident	157 Å²	157	75.1 Å²	75.1	68%	0.683	36%	0.362	S	S	*	.	H	α-helix	trans	-63.7	-43	175	-76.4	176.4	179.8	-177.8	0	112.5	D74 N75 M76 K82	D74-K78 WeakPolarHBondContact O-CG 3.5Å; D74-K78 PolarHBondContact O-N 2.62Å; D74-K78 VanDerWaalsContact O-N 3.12Å; N75-K78 PolarHBondContact O-N 3.26Å; M76-K78 PolarHBondContact O-N 3Å; K78-K82 PolarHBondContact O-N 3.11Å
79	K	85.6	Confident	80.5	Confident	142 Å²	142	71.7 Å²	71.7	62%	0.617	35%	0.348	S	S	*	.	H	α-helix	trans	-64.2	-44.1	175.4	-71.2	179	179.4	-174.6	0	111.6	N75 M76 K82 K83	N75-K79 WeakPolarHBondContact O-CG 3.37Å; N75-K79 PolarHBondContact O-N 3.36Å; N75-K79 WeakPolarHBondContact OD1-CE 3.29Å; M76-K79 PolarHBondContact O-N 3.01Å; K79-K82 PolarHBondContact O-N 2.99Å; K79-K83 WeakPolarHBondContact O-CB 3.46Å; K79-K83 PolarHBondContact O-N 3.38Å
80	S	83.9	Confident	80.4	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-65.2	-46.6	-179	-166.2	0	0	0	0	111.8	E50 M76 L77 K82 K83 V84	E50-S80 PolarHBondContact O-OG 3.22Å; E50-S80 VanDerWaalsContact OE1-CA 3.3Å; E50-S80 WeakPolarHBondContact OE1-CA 3.38Å; E50-S80 WeakPolarHBondContact OE1-CB 3.5Å; E50-S80 PolarHBondContact OE1-OG 3.46Å; M76-S80 VanDerWaalsContact O-CB 3.31Å; M76-S80 WeakPolarHBondContact O-CB 3.38Å; M76-S80 PolarHBondContact O-N 3.04Å; L77-S80 PolarHBondContact O-N 2.84Å; S80-K82 PolarHBondContact O-N 2.87Å; S80-K83 PolarHBondContact O-N 2.95Å; S80-V84 WeakPolarHBondContact O-CG2 3.38Å; S80-V84 PolarHBondContact O-N 2.93Å
81	N	77	Confident	80	Confident	53 Å²	53	69.6 Å²	69.6	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-55	-51.6	172.6	-77.5	-26.7	0	0	0	111.8	K54 L77 K83 V84 E85	K54-N81 WeakPolarHBondContact CD-OD1 3.18Å; K54-N81 WeakPolarHBondContact CE-OD1 3.33Å; K54-N81 PolarHBondContact NZ-OD1 3.05Å; L77-N81 WeakPolarHBondContact O-CB 3.38Å; L77-N81 PolarHBondContact O-N 2.91Å; L77-N81 PolarHBondContact O-ND2 3.08Å; N81-K83 VanDerWaalsContact C-N 3.29Å; N81-K83 PolarHBondContact O-N 3.49Å; N81-V84 WeakPolarHBondContact O-CB 3.25Å; N81-V84 PolarHBondContact O-N 2.92Å; N81-V84 VanDerWaalsContact O-N 3.13Å; N81-E85 WeakPolarHBondContact O-CG 3.41Å; N81-E85 PolarHBondContact O-N 3.22Å
82	K	82.3	Confident	78.9	Confident	122 Å²	122	70 Å²	70	53%	0.53	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-39.1	178.5	-169.9	178	-172.5	-95.9	0	112.2	K78 K79 S80 E85 E86	K78-K82 PolarHBondContact O-N 3.11Å; K79-K82 PolarHBondContact O-N 2.99Å; S80-K82 PolarHBondContact O-N 2.87Å; K82-E85 PolarHBondContact O-N 3.11Å; K82-E86 HydrophobicContact CG-CG 4.48Å; K82-E86 IonicContact NZ-OE1 2.75Å; K82-E86 PolarHBondContact NZ-OE1 2.83Å; K82-E86 WeakPolarHBondContact O-CB 3.33Å; K82-E86 VanDerWaalsContact O-CG 3.26Å; K82-E86 WeakPolarHBondContact O-CG 3.33Å; K82-E86 PolarHBondContact O-N 3.48Å
83	K	82.6	Confident	78	Confident	69 Å²	69	65 Å²	65	30%	0.3	31%	0.305	S	S	.	.	H	α-helix	trans	-68.2	-35.8	177.9	-168	61.6	-105.5	167.1	0	111.8	E50 K79 S80 N81 E86 L87	E50-K83 HydrophobicContact CG-CB 4.08Å; E50-K83 HydrophobicContact CG-CG 4.13Å; K79-K83 WeakPolarHBondContact O-CB 3.46Å; K79-K83 PolarHBondContact O-N 3.38Å; S80-K83 PolarHBondContact O-N 2.95Å; N81-K83 VanDerWaalsContact C-N 3.29Å; N81-K83 PolarHBondContact O-N 3.49Å; K83-E86 WeakPolarHBondContact CE-OE2 3.33Å; K83-E86 IonicContact NZ-OE2 3.68Å; K83-E86 PolarHBondContact NZ-OE2 2.87Å; K83-L87 HydrophobicContact CG-CD1 4.29Å; K83-L87 WeakPolarHBondContact O-CB 3.42Å; K83-L87 WeakPolarHBondContact O-CD1 3.34Å; K83-L87 VanDerWaalsContact O-CG 3.22Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 3.19Å; K83-L87 VanDerWaalsContact O-N 3.07Å
84	V	76.9	Confident	77	Confident	16 Å²	16	65.6 Å²	65.6	10%	0.097	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-43.4	172	172.4	0	0	0	0	111.2	E50 L51 S80 N81 L87 H88	E50-V84 HydrophobicContact CB-CG2 3.99Å; E50-V84 HydrophobicContact CG-CG2 3.68Å; L51-V84 HydrophobicContact CD2-CG1 4.15Å; L51-V84 HydrophobicContact CD2-CG2 4.15Å; L51-V84 HydrophobicContact CG-CG2 4.39Å; S80-V84 WeakPolarHBondContact O-CG2 3.38Å; S80-V84 PolarHBondContact O-N 2.93Å; N81-V84 WeakPolarHBondContact O-CB 3.25Å; N81-V84 PolarHBondContact O-N 2.92Å; N81-V84 VanDerWaalsContact O-N 3.13Å; V84-L87 PolarHBondContact O-N 2.63Å; V84-H88 WeakPolarHBondContact CG1-ND1 3.27Å; V84-H88 PolarHBondContact O-N 3.25Å; V84-H88 PolarHBondContact O-ND1 3.42Å
85	E	69.2	Low	75.9	Confident	124 Å²	124	66.6 Å²	66.6	58%	0.579	31%	0.314	S	S	*	.	H	α-helix	trans	-60.7	-50.8	175.6	-71	156.6	-167	0	0	111.1	N81 K82 L87 H88 Q89	N81-E85 WeakPolarHBondContact O-CG 3.41Å; N81-E85 PolarHBondContact O-N 3.22Å; K82-E85 PolarHBondContact O-N 3.11Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 2.83Å; E85-H88 PolarHBondContact O-N 2.84Å; E85-Q89 PolarHBondContact O-N 3.35Å
86	E	77.1	Confident	74.3	Confident	70 Å²	70	64 Å²	64	33%	0.327	30%	0.303	S	S	.	.	H	α-helix	trans	-55.1	-43	175.4	-75.2	169.8	-170.9	0	0	112.6	K82 K83 E90	K82-E86 HydrophobicContact CG-CG 4.48Å; K82-E86 IonicContact NZ-OE1 2.75Å; K82-E86 PolarHBondContact NZ-OE1 2.83Å; K82-E86 WeakPolarHBondContact O-CB 3.33Å; K82-E86 VanDerWaalsContact O-CG 3.26Å; K82-E86 WeakPolarHBondContact O-CG 3.33Å; K82-E86 PolarHBondContact O-N 3.48Å; K83-E86 WeakPolarHBondContact CE-OE2 3.33Å; K83-E86 IonicContact NZ-OE2 3.68Å; K83-E86 PolarHBondContact NZ-OE2 2.87Å; E86-E90 PolarHBondContact O-N 3.4Å
87	L	76.8	Confident	72.8	Confident	10 Å²	10	66.5 Å²	66.5	5%	0.052	31%	0.314	C	S	.	.	H	α-helix	trans	-74.2	-31.5	-179.8	-71	166	0	0	0	113.1	I43 E46 I47 K83 V84 E85 L91	I43-L87 HydrophobicContact CG2-CB 4.29Å; I43-L87 HydrophobicContact CG2-CD2 4.18Å; I43-L87 WeakPolarHBondContact CG2-O 3.26Å; E46-L87 HydrophobicContact CB-CD1 4.11Å; E46-L87 HydrophobicContact CB-CD2 4.46Å; E46-L87 HydrophobicContact CG-CD1 3.92Å; E46-L87 HydrophobicContact CG-CD2 4.49Å; I47-L87 HydrophobicContact CD1-CB 4.04Å; I47-L87 HydrophobicContact CG1-CB 3.52Å; I47-L87 HydrophobicContact CG1-CD1 4.16Å; I47-L87 HydrophobicContact CG1-CG 4.43Å; K83-L87 HydrophobicContact CG-CD1 4.29Å; K83-L87 WeakPolarHBondContact O-CB 3.42Å; K83-L87 WeakPolarHBondContact O-CD1 3.34Å; K83-L87 VanDerWaalsContact O-CG 3.22Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 3.19Å; K83-L87 VanDerWaalsContact O-N 3.07Å; V84-L87 PolarHBondContact O-N 2.63Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 2.83Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 PolarHBondContact O-N 3.44Å
88	H	71.7	Confident	71	Confident	88 Å²	88	67.1 Å²	67.1	41%	0.407	32%	0.317	S	S	.	.	H	α-helix	trans	-69.7	-40	172.7	-79.8	82.7	0	0	0	111.3	V84 E85 L91 Q92	V84-H88 WeakPolarHBondContact CG1-ND1 3.27Å; V84-H88 PolarHBondContact O-N 3.25Å; V84-H88 PolarHBondContact O-ND1 3.42Å; E85-H88 PolarHBondContact O-N 2.84Å; H88-L91 PolarHBondContact O-N 2.88Å; H88-Q92 WeakPolarHBondContact O-CB 3.49Å; H88-Q92 PolarHBondContact O-N 2.91Å
89	Q	70.5	Confident	68.9	Low	103 Å²	103	63.7 Å²	63.7	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-61.2	-47.1	172.5	-175.8	172.4	9.2	0	0	111	E85 L91 Q92 E93	E85-Q89 PolarHBondContact O-N 3.35Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; Q89-L91 PolarHBondContact O-N 2.79Å; Q89-Q92 PolarHBondContact O-N 3.35Å; Q89-E93 HydrophobicContact CG-CG 4.34Å; Q89-E93 PolarHBondContact NE2-OE1 2.84Å; Q89-E93 WeakPolarHBondContact O-CB 3.38Å; Q89-E93 WeakPolarHBondContact O-CG 3.44Å; Q89-E93 PolarHBondContact O-N 3.25Å
90	E	73.4	Confident	66.6	Low	49 Å²	49	60.4 Å²	60.4	23%	0.229	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-41.6	177	-160	-173.6	143.2	0	0	111.7	R18 I43 E86 L94	R18-E90 IonicContact CZ-OE1 2.8Å; R18-E90 IonicContact CZ-OE2 2.97Å; R18-E90 IonicContact NH1-OE1 2.85Å; R18-E90 PolarHBondContact NH1-OE1 2.96Å; R18-E90 IonicContact NH1-OE2 3.36Å; R18-E90 PolarHBondContact NH1-OE2 3.22Å; I43-E90 HydrophobicContact CD1-CB 4.39Å; I43-E90 HydrophobicContact CD1-CG 3.93Å; I43-E90 WeakPolarHBondContact CD1-OE1 3.49Å; E86-E90 PolarHBondContact O-N 3.4Å; E90-L94 WeakPolarHBondContact O-CB 3.34Å; E90-L94 PolarHBondContact O-N 3.03Å
91	L	73.9	Confident	64.5	Low	24 Å²	24	65.3 Å²	65.3	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-36.2	176.3	-172.9	59.7	0	0	0	112.8	K40 I43 R44 I47 L87 H88 Q89 N95	K40-L91 HydrophobicContact CB-CD1 4.3Å; K40-L91 HydrophobicContact CG-CD1 4.16Å; I43-L91 HydrophobicContact CG2-CB 3.87Å; I43-L91 HydrophobicContact CG2-CD1 4.42Å; R44-L91 HydrophobicContact CG-CD1 4.24Å; R44-L91 HydrophobicContact CG-CD2 3.87Å; I47-L91 HydrophobicContact CD1-CD2 3.98Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 PolarHBondContact O-N 3.44Å; H88-L91 PolarHBondContact O-N 2.88Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; Q89-L91 PolarHBondContact O-N 2.79Å; L91-N95 PolarHBondContact O-N 3.44Å; L91-N95 PolarHBondContact O-ND2 3.22Å
92	Q	60.8	Low	62.4	Low	69 Å²	69	69 Å²	69	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-72.4	-45.6	178.3	-176.7	160.8	19.6	0	0	111.6	H88 Q89 L94 N95 A96 F474 N475	H88-Q92 WeakPolarHBondContact O-CB 3.49Å; H88-Q92 PolarHBondContact O-N 2.91Å; Q89-Q92 PolarHBondContact O-N 3.35Å; Q92-L94 VanDerWaalsContact C-N 3.29Å; Q92-L94 PolarHBondContact O-N 3.37Å; Q92-N95 PolarHBondContact O-N 2.89Å; Q92-A96 PolarHBondContact O-N 2.92Å; Q92-F474 HydrophobicContact CG-CD1 4.46Å; Q92-N475 PolarHBondContact NE2-ND2 3.28Å; Q92-N475 PolarHBondContact NE2-OD1 3.27Å
93	E	65	Low	60	Low	57 Å²	57	67.3 Å²	67.3	27%	0.266	34%	0.343	S	S	.	.	H	α-helix	trans	-57.9	-43.3	172.7	-71.1	-179.7	179.7	0	0	110.2	R11 Q89 A96 H97	R11-E93 IonicContact CZ-OE1 3.19Å; R11-E93 IonicContact CZ-OE2 2.73Å; R11-E93 IonicContact NH1-OE1 3.85Å; R11-E93 PolarHBondContact NH1-OE1 2.97Å; R11-E93 IonicContact NH1-OE2 3.33Å; R11-E93 IonicContact NH2-OE1 2.96Å; R11-E93 PolarHBondContact NH2-OE1 3.11Å; R11-E93 IonicContact NH2-OE2 3.83Å; R11-E93 PolarHBondContact NH2-OE2 3.38Å; Q89-E93 HydrophobicContact CG-CG 4.34Å; Q89-E93 PolarHBondContact NE2-OE1 2.84Å; Q89-E93 WeakPolarHBondContact O-CB 3.38Å; Q89-E93 WeakPolarHBondContact O-CG 3.44Å; Q89-E93 PolarHBondContact O-N 3.25Å; E93-A96 PolarHBondContact O-N 3.09Å; E93-H97 PolarHBondContact O-N 2.73Å; E93-H97 PolarHBondContact O-ND1 3.21Å
94	L	65.1	Low	57.6	Low	16 Å²	16	72.7 Å²	72.7	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-65.7	-40.6	177.9	-174	62	0	0	0	113.5	L36 I39 K40 I43 E90 Q92 A96 H97 I98	L36-L94 HydrophobicContact CD2-CD1 3.71Å; I39-L94 HydrophobicContact CB-CD2 4.36Å; I39-L94 HydrophobicContact CG2-CD2 3.73Å; K40-L94 HydrophobicContact CB-CD2 4.43Å; K40-L94 HydrophobicContact CG-CD2 3.58Å; K40-L94 HydrophobicContact CG-CG 4.11Å; I43-L94 HydrophobicContact CD1-CD2 3.77Å; E90-L94 WeakPolarHBondContact O-CB 3.34Å; E90-L94 PolarHBondContact O-N 3.03Å; Q92-L94 VanDerWaalsContact C-N 3.29Å; Q92-L94 PolarHBondContact O-N 3.37Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 2.94Å; L94-H97 PolarHBondContact O-N 3.5Å; L94-I98 HydrophobicContact CD1-CD1 3.89Å; L94-I98 HydrophobicContact CG-CD1 3.95Å; L94-I98 VanDerWaalsContact O-CD1 3.26Å; L94-I98 WeakPolarHBondContact O-CD1 3.32Å
95	N	59.8	Low	55.7	Low	70 Å²	70	76.5 Å²	76.5	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-34.6	176.3	-73	-37.2	0	0	0	112.2	K40 L91 Q92 H97	K40-N95 WeakPolarHBondContact CE-OD1 3.33Å; L91-N95 PolarHBondContact O-N 3.44Å; L91-N95 PolarHBondContact O-ND2 3.22Å; Q92-N95 PolarHBondContact O-N 2.89Å; N95-H97 VanDerWaalsContact C-N 3.33Å; N95-H97 PolarHBondContact O-N 3.15Å
96	A	54.6	Low	53.9	Low	26 Å²	26	76 Å²	76	22%	0.215	39%	0.387	C	S	.	.	H	α-helix	trans	-73.2	-19.8	179	0	0	0	0	0	114.1	Q92 E93 L94 F474	Q92-A96 PolarHBondContact O-N 2.92Å; E93-A96 PolarHBondContact O-N 3.09Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 2.94Å; A96-F474 HydrophobicContact CB-CE1 3.86Å; A96-F474 HydrophobicContact CB-CZ 4.24Å
97	H	53.2	Low	51.7	Low	115 Å²	115	77.3 Å²	77.3	53%	0.532	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.6	-179.5	-80.3	80.6	0	0	0	114.8	E93 L94 N95	E93-H97 PolarHBondContact O-N 2.73Å; E93-H97 PolarHBondContact O-ND1 3.21Å; L94-H97 PolarHBondContact O-N 3.5Å; N95-H97 VanDerWaalsContact C-N 3.33Å; N95-H97 PolarHBondContact O-N 3.15Å
98	I	46.2	Very low	49.5	Very low	28 Å²	28	84 Å²	84	14%	0.144	44%	0.441	C	S	.	.	S	Bend	trans	-101.7	-13.1	-163.2	-79.1	163	0	0	0	114.4	L36 L94 V100	L36-I98 HydrophobicContact CB-CD1 3.73Å; L36-I98 HydrophobicContact CB-CG1 4.26Å; L36-I98 HydrophobicContact CD1-CD1 4.36Å; L36-I98 HydrophobicContact CD1-CG1 4Å; L36-I98 HydrophobicContact CD2-CD1 4.47Å; L36-I98 HydrophobicContact CG-CD1 4.41Å; L94-I98 HydrophobicContact CD1-CD1 3.89Å; L94-I98 HydrophobicContact CG-CD1 3.95Å; L94-I98 VanDerWaalsContact O-CD1 3.26Å; L94-I98 WeakPolarHBondContact O-CD1 3.32Å; I98-V100 PolarHBondContact O-N 2.77Å
99	V	41.5	Very low	47.4	Very low	85 Å²	85	84.8 Å²	84.8	52%	0.515	46%	0.455	S	S	.	.			trans	-86.2	55.7	177.1	-167.1	0	0	0	0	110.3
100	V	36.8	Very low	45.7	Very low	72 Å²	72	84.6 Å²	84.6	44%	0.436	46%	0.462	S	S	.	.			trans	-111.1	88.2	176.9	-176.2	0	0	0	0	109.5	I98	I98-V100 PolarHBondContact O-N 2.77Å
101	K	39.2	Very low	43.9	Very low	105 Å²	105	86.2 Å²	86.2	46%	0.457	47%	0.472	S	S	.	.			trans	57.9	138.1	163.5	-69.2	-165.7	159	-166.7	0	119.7	E105	K101-E105 HydrophobicContact CD-CB 4.11Å; K101-E105 PolarHBondContact NZ-O 3.13Å
102	D	33.4	Very low	42.3	Very low	132 Å²	132	85.5 Å²	85.5	71%	0.706	47%	0.469	S	S	*	.			trans	-70.2	148.5	154.4	-87.5	-65.7	0	0	0	110	E104 E105	D102-E104 PolarHBondContact O-N 3.21Å; D102-E105 PolarHBondContact O-N 2.85Å
103	P	33	Very low	41.3	Very low	86 Å²	86	87.1 Å²	87.1	56%	0.558	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-62.9	-17.1	-169.9	-26	36	0	0	0	116.4
104	E	31.6	Very low	40	Very low	182 Å²	182	87.8 Å²	87.8	85%	0.85	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-79.3	-19.8	-175.4	-59.6	-169.4	153.2	0	0	113.2	D102 L106	D102-E104 PolarHBondContact O-N 3.21Å; E104-L106 VanDerWaalsContact C-N 3.29Å; E104-L106 PolarHBondContact O-N 2.79Å
105	E	36.3	Very low	38.9	Very low	96 Å²	96	88 Å²	88	45%	0.449	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-85.7	21.6	-179.3	-70.1	-159.6	148.9	0	0	114.8	K101 D102 C123	K101-E105 HydrophobicContact CD-CB 4.11Å; K101-E105 PolarHBondContact NZ-O 3.13Å; D102-E105 PolarHBondContact O-N 2.85Å; E105-C123 PolarHBondContact OE1-SG 2.9Å
106	L	32.5	Very low	37.8	Very low	114 Å²	114	90.2 Å²	90.2	60%	0.597	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-95.2	-1.6	176.2	-78.2	170.8	0	0	0	114.4	E104	E104-L106 VanDerWaalsContact C-N 3.29Å; E104-L106 PolarHBondContact O-N 2.79Å
107	A	30.9	Very low	36.9	Very low	96 Å²	96	91.5 Å²	91.5	79%	0.793	52%	0.518	S	S	*	.	S	Bend	trans	-85.2	-22.5	-179.4	0	0	0	0	0	114.8
108	E	29.3	Very low	36.1	Very low	152 Å²	152	90.2 Å²	90.2	71%	0.71	52%	0.522	S	S	*	.	S	Bend	trans	-127	157.6	-175.1	-63.2	-161.1	151	0	0	113.4
109	C	28.7	Very low	35.4	Very low	104 Å²	104	96.8 Å²	96.8	70%	0.703	55%	0.552	S	S	*	*			trans	-66.7	157.6	-173.8	-66.9	0	0	0	0	113.3	L111	C109-L111 WeakPolarHBondContact O-CG 3.23Å; C109-L111 PolarHBondContact O-N 2.85Å
110	P	34.3	Very low	35.1	Very low	99 Å²	99	93.6 Å²	93.6	64%	0.643	54%	0.535	S	S	*	.			trans	-65.5	98.8	173.4	27.3	-34.5	0	0	0	111
111	L	35.3	Very low	35.4	Very low	83 Å²	83	94.5 Å²	94.5	44%	0.435	53%	0.531	S	S	.	.			trans	-80.2	152.9	-177	-75	153.9	0	0	0	112.2	C109 T115 A120	C109-L111 WeakPolarHBondContact O-CG 3.23Å; C109-L111 PolarHBondContact O-N 2.85Å; L111-T115 HydrophobicContact CD2-CG2 4.08Å; L111-A120 HydrophobicContact CD1-CB 3.96Å
112	T	40.7	Very low	35.4	Very low	9 Å²	9	91.7 Å²	91.7	6%	0.055	52%	0.522	C	S	.	.			trans	-102.3	159.4	-170.3	80.2	0	0	0	0	112.8	D114 T115 C458 Y460	T112-D114 PolarHBondContact O-N 2.92Å; T112-D114 PolarHBondContact OG1-N 2.9Å; T112-T115 WeakPolarHBondContact CA-OG1 3.45Å; T112-T115 PolarHBondContact N-OG1 2.91Å; T112-T115 VanDerWaalsContact N-OG1 3.09Å; T112-T115 PolarHBondContact O-N 2.83Å; T112-T115 PolarHBondContact O-OG1 3Å; T112-T115 PolarHBondContact OG1-N 3.18Å; T112-T115 PolarHBondContact OG1-OG1 3.14Å; T112-C458 HydrophobicContact CG2-CB 4.01Å; T112-C458 VanDerWaalsContact CG2-O 3.31Å; T112-C458 WeakPolarHBondContact CG2-O 3.4Å; T112-Y460 HydrophobicContact CG2-CE2 3.89Å; T112-Y460 WeakPolarHBondContact OG1-CE2 3.45Å
113	P	39.1	Very low	35.4	Very low	103 Å²	103	88.4 Å²	88.4	67%	0.669	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.4	168.5	-22.7	34.4	0	0	0	113.7	T115	P113-T115 VanDerWaalsContact C-N 3.32Å; P113-T115 PolarHBondContact O-N 3.21Å
114	D	38.9	Very low	36.2	Very low	70 Å²	70	87.2 Å²	87.2	37%	0.374	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	2.9	-173.7	-62.2	-20.5	0	0	0	113	T112 K442 Y460	T112-D114 PolarHBondContact O-N 2.92Å; T112-D114 PolarHBondContact OG1-N 2.9Å; D114-K442 IonicContact OD2-NZ 3.68Å; D114-K442 PolarHBondContact OD2-NZ 3.38Å; D114-Y460 HydrophobicContact CB-CD2 3.84Å; D114-Y460 HydrophobicContact CB-CE2 4.19Å
115	T	40.8	Very low	37.1	Very low	20 Å²	20	80.7 Å²	80.7	12%	0.123	47%	0.474	C	S	.	.			trans	-76	131.8	-170.1	-36.4	0	0	0	0	112.2	L111 T112 P113 S117 R121	L111-T115 HydrophobicContact CD2-CG2 4.08Å; T112-T115 WeakPolarHBondContact CA-OG1 3.45Å; T112-T115 PolarHBondContact N-OG1 2.91Å; T112-T115 VanDerWaalsContact N-OG1 3.09Å; T112-T115 PolarHBondContact O-N 2.83Å; T112-T115 PolarHBondContact O-OG1 3Å; T112-T115 PolarHBondContact OG1-N 3.18Å; T112-T115 PolarHBondContact OG1-OG1 3.14Å; P113-T115 VanDerWaalsContact C-N 3.32Å; P113-T115 PolarHBondContact O-N 3.21Å; T115-S117 VanDerWaalsContact C-N 3.33Å; T115-S117 PolarHBondContact O-N 2.93Å; T115-R121 PolarHBondContact O-NE 3.24Å
116	P	37.1	Very low	38	Very low	117 Å²	117	79.8 Å²	79.8	76%	0.76	47%	0.473	S	S	*	.			trans	-65.6	-23.1	-174.7	-26.1	35.4	0	0	0	116.6	R121	P116-R121 PolarHBondContact O-NH2 3.05Å
117	S	36.9	Very low	39.2	Very low	54 Å²	54	77.8 Å²	77.8	38%	0.378	47%	0.468	S	S	.	.			trans	-64.1	146.8	-176.8	51.9	0	0	0	0	112.4	T115 R121	T115-S117 VanDerWaalsContact C-N 3.33Å; T115-S117 PolarHBondContact O-N 2.93Å; S117-R121 PolarHBondContact O-NE 3.41Å; S117-R121 PolarHBondContact O-NH2 3.44Å
118	S	35.8	Very low	40.9	Very low	88 Å²	88	77.3 Å²	77.3	62%	0.615	45%	0.446	S	S	*	.	H	α-helix	trans	-78.3	-40.3	-175.5	-154.8	0	0	0	0	112.3	R121	S118-R121 PolarHBondContact O-N 3.06Å
119	E	30.9	Very low	42.7	Very low	166 Å²	166	70.8 Å²	70.8	78%	0.776	42%	0.416	S	S	*	.	H	α-helix	trans	-75.5	-34	-169.6	-63.8	161.6	142.8	0	0	112.7	R121 T122	E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 2.85Å; E119-T122 PolarHBondContact O-N 2.99Å; E119-T122 PolarHBondContact O-OG1 3.41Å
120	A	35	Very low	44.5	Very low	18 Å²	18	67.6 Å²	67.6	15%	0.149	40%	0.397	C	S	.	.	H	α-helix	trans	-66.1	-32.6	176.9	0	0	0	0	0	113.1	L111 T124	L111-A120 HydrophobicContact CD1-CB 3.96Å; A120-T124 PolarHBondContact O-N 2.82Å; A120-T124 PolarHBondContact O-OG1 2.67Å
121	R	44.3	Very low	46.1	Very low	91 Å²	91	63 Å²	63	34%	0.343	37%	0.367	S	S	.	.	H	α-helix	trans	-70.3	-32.6	178.8	-75.3	-178.3	-82.2	149.5	-9.5	112.1	T115 P116 S117 S118 E119 T124 S125	T115-R121 PolarHBondContact O-NE 3.24Å; P116-R121 PolarHBondContact O-NH2 3.05Å; S117-R121 PolarHBondContact O-NE 3.41Å; S117-R121 PolarHBondContact O-NH2 3.44Å; S118-R121 PolarHBondContact O-N 3.06Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 2.85Å; R121-T124 PolarHBondContact O-OG1 3.1Å; R121-S125 VanDerWaalsContact O-CB 3.22Å; R121-S125 WeakPolarHBondContact O-CB 3.44Å; R121-S125 PolarHBondContact O-N 3.22Å; R121-S125 VanDerWaalsContact O-N 3.08Å; R121-S125 PolarHBondContact O-OG 3.43Å
122	T	38.7	Very low	47.7	Very low	45 Å²	45	59.3 Å²	59.3	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-66.9	-42	176.8	24.2	0	0	0	0	113.5	E119 N126	E119-T122 PolarHBondContact O-N 2.99Å; E119-T122 PolarHBondContact O-OG1 3.41Å; T122-N126 VanDerWaalsContact O-CB 3.32Å; T122-N126 WeakPolarHBondContact O-CB 3.46Å; T122-N126 PolarHBondContact O-N 2.98Å; T122-N126 VanDerWaalsContact O-N 3.09Å; T122-N126 PolarHBondContact O-ND2 3.35Å; T122-N126 VanDerWaalsContact O-ND2 3.13Å
123	C	34.1	Very low	49.3	Very low	63 Å²	63	63.7 Å²	63.7	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-67.7	-49.7	179.5	-164.3	0	0	0	0	111.9	E105 S125 N126 S127	E105-C123 PolarHBondContact OE1-SG 2.9Å; C123-S125 PolarHBondContact O-N 2.88Å; C123-N126 PolarHBondContact O-N 3.07Å; C123-S127 PolarHBondContact O-N 3.24Å
124	T	48.5	Very low	50.9	Low	61 Å²	61	65.7 Å²	65.7	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-42.3	-179.8	48.6	0	0	0	0	112.5	A120 R121 S127 R128	A120-T124 PolarHBondContact O-N 2.82Å; A120-T124 PolarHBondContact O-OG1 2.67Å; R121-T124 PolarHBondContact O-OG1 3.1Å; T124-S127 PolarHBondContact O-N 3Å; T124-R128 WeakPolarHBondContact O-CB 3.07Å; T124-R128 PolarHBondContact O-N 3.07Å
125	S	52	Low	52.6	Low	45 Å²	45	62.9 Å²	62.9	32%	0.315	35%	0.345	S	S	.	.	H	α-helix	trans	-64.5	-40.7	175.1	-57.8	0	0	0	0	112.5	R121 C123 R128 L129	R121-S125 VanDerWaalsContact O-CB 3.22Å; R121-S125 WeakPolarHBondContact O-CB 3.44Å; R121-S125 PolarHBondContact O-N 3.22Å; R121-S125 VanDerWaalsContact O-N 3.08Å; R121-S125 PolarHBondContact O-OG 3.43Å; C123-S125 PolarHBondContact O-N 2.88Å; S125-R128 PolarHBondContact O-N 2.72Å; S125-L129 VanDerWaalsContact O-CB 3.25Å; S125-L129 WeakPolarHBondContact O-CB 3.44Å; S125-L129 PolarHBondContact O-N 2.92Å
126	N	54.3	Low	54.3	Low	77 Å²	77	62.8 Å²	62.8	41%	0.412	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-38.2	177.3	-75.5	-24.9	0	0	0	112.5	T122 C123 L129 A130	T122-N126 VanDerWaalsContact O-CB 3.32Å; T122-N126 WeakPolarHBondContact O-CB 3.46Å; T122-N126 PolarHBondContact O-N 2.98Å; T122-N126 VanDerWaalsContact O-N 3.09Å; T122-N126 PolarHBondContact O-ND2 3.35Å; T122-N126 VanDerWaalsContact O-ND2 3.13Å; C123-N126 PolarHBondContact O-N 3.07Å; N126-L129 PolarHBondContact O-N 3.13Å; N126-A130 WeakPolarHBondContact O-CB 3.28Å; N126-A130 PolarHBondContact O-N 3.4Å
127	S	58.7	Low	56	Low	72 Å²	72	61.1 Å²	61.1	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-47.7	173.9	-172.3	0	0	0	0	111.4	C123 T124 L129 A130 A131	C123-S127 PolarHBondContact O-N 3.24Å; T124-S127 PolarHBondContact O-N 3Å; S127-L129 VanDerWaalsContact C-N 3.35Å; S127-L129 PolarHBondContact O-N 3.15Å; S127-A130 WeakPolarHBondContact O-CB 3.38Å; S127-A130 PolarHBondContact O-N 3.07Å; S127-A130 VanDerWaalsContact O-N 3.16Å; S127-A131 PolarHBondContact O-N 3.25Å
128	R	65.2	Low	57.8	Low	86 Å²	86	62.7 Å²	62.7	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-37.7	175	-172.2	171.9	179	-168	-5.8	112.6	T124 S125 A131 L132 D448	T124-R128 WeakPolarHBondContact O-CB 3.07Å; T124-R128 PolarHBondContact O-N 3.07Å; S125-R128 PolarHBondContact O-N 2.72Å; R128-A131 WeakPolarHBondContact O-CB 3.49Å; R128-A131 PolarHBondContact O-N 2.78Å; R128-L132 HydrophobicContact CG-CD1 4.34Å; R128-L132 WeakPolarHBondContact O-CG 3.4Å; R128-L132 PolarHBondContact O-N 2.85Å; R128-D448 IonicContact CZ-OD1 3.65Å; R128-D448 IonicContact NH1-OD1 3.6Å; R128-D448 PolarHBondContact NH1-OD1 3.39Å; R128-D448 VanDerWaalsContact NH2-CA 3.26Å; R128-D448 PolarHBondContact NH2-O 2.92Å; R128-D448 IonicContact NH2-OD1 2.77Å; R128-D448 PolarHBondContact NH2-OD1 3Å
129	L	68.3	Low	59.9	Low	16 Å²	16	59.1 Å²	59.1	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-38.8	174.1	-176.9	64.6	0	0	0	111.9	S125 N126 S127 K133 I185 A188	S125-L129 VanDerWaalsContact O-CB 3.25Å; S125-L129 WeakPolarHBondContact O-CB 3.44Å; S125-L129 PolarHBondContact O-N 2.92Å; N126-L129 PolarHBondContact O-N 3.13Å; S127-L129 VanDerWaalsContact C-N 3.35Å; S127-L129 PolarHBondContact O-N 3.15Å; L129-K133 HydrophobicContact CG-CD 4.38Å; L129-K133 WeakPolarHBondContact O-CB 3.48Å; L129-K133 WeakPolarHBondContact O-CD 3.46Å; L129-K133 VanDerWaalsContact O-CG 3.24Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 3.42Å; L129-K133 VanDerWaalsContact O-N 3.12Å; L129-I185 HydrophobicContact CD1-CB 4.41Å; L129-I185 HydrophobicContact CD1-CG2 3.95Å; L129-A188 HydrophobicContact CD1-CB 4.04Å
130	A	66.8	Low	62.1	Low	36 Å²	36	54 Å²	54	30%	0.298	28%	0.283	S	S	.	.	H	α-helix	trans	-68.8	-39.4	173.6	0	0	0	0	0	112.1	N126 S127 K133 R134	N126-A130 WeakPolarHBondContact O-CB 3.28Å; N126-A130 PolarHBondContact O-N 3.4Å; S127-A130 WeakPolarHBondContact O-CB 3.38Å; S127-A130 PolarHBondContact O-N 3.07Å; S127-A130 VanDerWaalsContact O-N 3.16Å; A130-K133 PolarHBondContact O-N 2.7Å; A130-R134 VanDerWaalsContact O-CG 3.29Å; A130-R134 WeakPolarHBondContact O-CG 3.46Å; A130-R134 PolarHBondContact O-N 2.59Å
131	A	66.1	Low	64.3	Low	2 Å²	2	60.3 Å²	60.3	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-52.5	174.2	0	0	0	0	0	112.1	S127 R128 K133 R134 Q135 D451	S127-A131 PolarHBondContact O-N 3.25Å; R128-A131 WeakPolarHBondContact O-CB 3.49Å; R128-A131 PolarHBondContact O-N 2.78Å; A131-K133 VanDerWaalsContact C-N 3.35Å; A131-K133 PolarHBondContact O-N 3Å; A131-R134 PolarHBondContact O-N 3Å; A131-Q135 PolarHBondContact O-N 3.34Å; A131-D451 HydrophobicContact CB-CB 4.12Å; A131-D451 VanDerWaalsContact CB-OD2 3.3Å; A131-D451 WeakPolarHBondContact CB-OD2 3.45Å
132	L	70.1	Confident	66	Low	6 Å²	6	58.3 Å²	58.3	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-40.9	177.9	-69.9	168.8	0	0	0	112.1	R128 Q135 N136 I181 Q184 I185 D451	R128-L132 HydrophobicContact CG-CD1 4.34Å; R128-L132 WeakPolarHBondContact O-CG 3.4Å; R128-L132 PolarHBondContact O-N 2.85Å; L132-Q135 PolarHBondContact O-N 2.84Å; L132-N136 PolarHBondContact O-N 2.61Å; L132-I181 HydrophobicContact CB-CG2 4.18Å; L132-I181 HydrophobicContact CD2-CG2 4.27Å; L132-I181 VanDerWaalsContact O-CG2 3.28Å; L132-I181 WeakPolarHBondContact O-CG2 3.5Å; L132-Q184 HydrophobicContact CD1-CB 3.94Å; L132-Q184 HydrophobicContact CD2-CB 4.43Å; L132-I185 HydrophobicContact CB-CD1 4.2Å; L132-I185 HydrophobicContact CB-CG1 3.66Å; L132-D451 HydrophobicContact CD2-CB 4.4Å
133	K	74.3	Confident	68.3	Low	101 Å²	101	58.7 Å²	58.7	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-47.7	174.6	-75.3	169.6	-178.7	175.7	0	111.8	L129 A130 A131 Q135 N136 D137 I185	L129-K133 HydrophobicContact CG-CD 4.38Å; L129-K133 WeakPolarHBondContact O-CB 3.48Å; L129-K133 WeakPolarHBondContact O-CD 3.46Å; L129-K133 VanDerWaalsContact O-CG 3.24Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 3.42Å; L129-K133 VanDerWaalsContact O-N 3.12Å; A130-K133 PolarHBondContact O-N 2.7Å; A131-K133 VanDerWaalsContact C-N 3.35Å; A131-K133 PolarHBondContact O-N 3Å; K133-Q135 VanDerWaalsContact C-N 3.33Å; K133-Q135 PolarHBondContact O-N 3.01Å; K133-N136 PolarHBondContact O-N 2.79Å; K133-D137 PolarHBondContact O-N 2.89Å; K133-D137 VanDerWaalsContact O-N 3.08Å; K133-I185 HydrophobicContact CG-CD1 3.96Å; K133-I185 HydrophobicContact CG-CG1 4.4Å
134	R	72.9	Confident	70.6	Confident	145 Å²	145	60.3 Å²	60.3	55%	0.547	30%	0.304	S	S	.	.	H	α-helix	trans	-58.6	-42.4	174.5	-67.8	168.9	-169.1	170.5	4.1	111.8	A130 A131 D137 I138	A130-R134 VanDerWaalsContact O-CG 3.29Å; A130-R134 WeakPolarHBondContact O-CG 3.46Å; A130-R134 PolarHBondContact O-N 2.59Å; A131-R134 PolarHBondContact O-N 3Å; R134-D137 PolarHBondContact O-N 2.97Å; R134-I138 WeakPolarHBondContact O-CG1 3.4Å; R134-I138 PolarHBondContact O-N 3.17Å
135	Q	73.4	Confident	72	Confident	12 Å²	12	58.9 Å²	58.9	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-68.4	-37.7	179.1	-176	56.9	47.7	0	0	112.3	A131 L132 K133 D137 I138 E139 I181 N452	A131-Q135 PolarHBondContact O-N 3.34Å; L132-Q135 PolarHBondContact O-N 2.84Å; K133-Q135 VanDerWaalsContact C-N 3.33Å; K133-Q135 PolarHBondContact O-N 3.01Å; Q135-D137 VanDerWaalsContact C-N 3.3Å; Q135-D137 PolarHBondContact O-N 2.93Å; Q135-I138 PolarHBondContact O-N 3.44Å; Q135-E139 PolarHBondContact NE2-OE2 2.78Å; Q135-E139 WeakPolarHBondContact O-CB 3.44Å; Q135-E139 PolarHBondContact O-N 2.84Å; Q135-I181 HydrophobicContact CB-CD1 4.44Å; Q135-I181 HydrophobicContact CG-CD1 3.73Å; Q135-N452 VanDerWaalsContact CD-ND2 3.31Å; Q135-N452 PolarHBondContact OE1-ND2 2.95Å
136	N	76.2	Confident	73.4	Confident	18 Å²	18	56.8 Å²	56.8	10%	0.096	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-41.2	169.8	163.1	93.6	0	0	0	111.5	L132 K133 E139 L140 I181 R182 I185	L132-N136 PolarHBondContact O-N 2.61Å; K133-N136 PolarHBondContact O-N 2.79Å; N136-E139 PolarHBondContact O-N 2.64Å; N136-L140 WeakPolarHBondContact ND2-CD1 3.43Å; N136-L140 WeakPolarHBondContact O-CB 3.48Å; N136-L140 VanDerWaalsContact O-CG 3.3Å; N136-L140 WeakPolarHBondContact O-CG 3.31Å; N136-L140 PolarHBondContact O-N 3.36Å; N136-I181 HydrophobicContact CB-CG2 3.83Å; N136-R182 PolarHBondContact OD1-NE 2.82Å; N136-I185 HydrophobicContact CB-CD1 4.28Å
137	D	74.1	Confident	74.8	Confident	81 Å²	81	55.6 Å²	55.6	43%	0.433	28%	0.279	S	S	.	.	H	α-helix	trans	-74	-27.2	-179.5	-64.9	-8.5	0	0	0	113.5	K133 R134 Q135 K141	K133-D137 PolarHBondContact O-N 2.89Å; K133-D137 VanDerWaalsContact O-N 3.08Å; R134-D137 PolarHBondContact O-N 2.97Å; Q135-D137 VanDerWaalsContact C-N 3.3Å; Q135-D137 PolarHBondContact O-N 2.93Å; D137-K141 VanDerWaalsContact O-CD 3.29Å; D137-K141 WeakPolarHBondContact O-CD 3.44Å; D137-K141 WeakPolarHBondContact O-CE 3.41Å; D137-K141 WeakPolarHBondContact O-CG 3.14Å
138	I	74.7	Confident	75.8	Confident	88 Å²	88	55.7 Å²	55.7	45%	0.451	27%	0.273	S	S	.	.	H	α-helix	trans	-69.5	-48.7	168.5	-69.2	165.4	0	0	0	109.3	R134 Q135 L140 K141 V142	R134-I138 WeakPolarHBondContact O-CG1 3.4Å; R134-I138 PolarHBondContact O-N 3.17Å; Q135-I138 PolarHBondContact O-N 3.44Å; I138-L140 PolarHBondContact O-N 2.9Å; I138-K141 WeakPolarHBondContact O-CA 3.38Å; I138-K141 WeakPolarHBondContact O-CB 3.44Å; I138-K141 PolarHBondContact O-N 2.72Å; I138-V142 PolarHBondContact O-N 2.66Å
139	E	79.6	Confident	76.4	Confident	12 Å²	12	54.6 Å²	54.6	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-36.8	-177	-153.7	59.1	-110.1	0	0	111.6	Q135 N136 K141 V142 K143 S174 K177 I178	Q135-E139 PolarHBondContact NE2-OE2 2.78Å; Q135-E139 WeakPolarHBondContact O-CB 3.44Å; Q135-E139 PolarHBondContact O-N 2.84Å; N136-E139 PolarHBondContact O-N 2.64Å; E139-K141 PolarHBondContact O-N 3.29Å; E139-V142 WeakPolarHBondContact O-CB 3.45Å; E139-V142 PolarHBondContact O-N 3.18Å; E139-V142 VanDerWaalsContact O-N 3.09Å; E139-K143 PolarHBondContact O-N 3.09Å; E139-S174 WeakPolarHBondContact CG-OG 3.26Å; E139-S174 PolarHBondContact O-OG 2.9Å; E139-S174 VanDerWaalsContact OE1-CB 3.3Å; E139-S174 WeakPolarHBondContact OE1-CB 3.23Å; E139-S174 PolarHBondContact OE1-OG 2.79Å; E139-K177 HydrophobicContact CG-CB 4.15Å; E139-K177 HydrophobicContact CG-CD 4.25Å; E139-K177 HydrophobicContact CG-CG 4.1Å; E139-K177 VanDerWaalsContact OE2-CD 3.22Å; E139-K177 WeakPolarHBondContact OE2-CD 3.12Å; E139-K177 WeakPolarHBondContact OE2-CE 3.2Å; E139-K177 IonicContact OE2-NZ 3.09Å; E139-K177 PolarHBondContact OE2-NZ 2.64Å; E139-I178 HydrophobicContact CB-CD1 4.49Å; E139-I178 HydrophobicContact CB-CG1 3.79Å; E139-I178 HydrophobicContact CG-CD1 4.35Å; E139-I178 HydrophobicContact CG-CG1 3.69Å
140	L	77.8	Confident	77.1	Confident	58 Å²	58	55.4 Å²	55.4	30%	0.304	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-31.8	170	-78	166.7	0	0	0	113.2	N136 I138 K143 Q144 I178	N136-L140 WeakPolarHBondContact ND2-CD1 3.43Å; N136-L140 WeakPolarHBondContact O-CB 3.48Å; N136-L140 VanDerWaalsContact O-CG 3.3Å; N136-L140 WeakPolarHBondContact O-CG 3.31Å; N136-L140 PolarHBondContact O-N 3.36Å; I138-L140 PolarHBondContact O-N 2.9Å; L140-K143 HydrophobicContact CD2-CD 4.44Å; L140-Q144 WeakPolarHBondContact O-CB 3.44Å; L140-Q144 PolarHBondContact O-N 3.03Å; L140-I178 HydrophobicContact CD2-CD1 3.89Å; L140-I178 HydrophobicContact CD2-CG2 4.42Å; L140-I178 HydrophobicContact CG-CD1 4.17Å; L140-I178 HydrophobicContact CG-CG1 4.49Å
141	K	80.8	Confident	77.7	Confident	151 Å²	151	59.4 Å²	59.4	66%	0.657	29%	0.29	S	S	*	.	H	α-helix	trans	-76.6	-33.8	174	-68.2	161.6	-172	156.8	0	111.9	D137 I138 E139 G145	D137-K141 VanDerWaalsContact O-CD 3.29Å; D137-K141 WeakPolarHBondContact O-CD 3.44Å; D137-K141 WeakPolarHBondContact O-CE 3.41Å; D137-K141 WeakPolarHBondContact O-CG 3.14Å; I138-K141 WeakPolarHBondContact O-CA 3.38Å; I138-K141 WeakPolarHBondContact O-CB 3.44Å; I138-K141 PolarHBondContact O-N 2.72Å; E139-K141 PolarHBondContact O-N 3.29Å; K141-G145 PolarHBondContact O-N 3.24Å
142	V	79.6	Confident	78.1	Confident	50 Å²	50	65.7 Å²	65.7	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-49.2	171.1	176	0	0	0	0	110.1	I138 E139 Q144 G145 A146 M170	I138-V142 PolarHBondContact O-N 2.66Å; E139-V142 WeakPolarHBondContact O-CB 3.45Å; E139-V142 PolarHBondContact O-N 3.18Å; E139-V142 VanDerWaalsContact O-N 3.09Å; V142-Q144 PolarHBondContact O-N 3.24Å; V142-G145 PolarHBondContact O-N 3.14Å; V142-A146 WeakPolarHBondContact O-CB 3.29Å; V142-A146 PolarHBondContact O-N 3.49Å; V142-M170 HydrophobicContact CG1-CE 4.43Å
143	K	86.7	Confident	78.3	Confident	53 Å²	53	69.3 Å²	69.3	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-50.9	-54.2	172.5	-177.2	-156.6	174.1	-94	0	111.8	E139 L140 G145 A146 E147 L171 S174 I178	E139-K143 PolarHBondContact O-N 3.09Å; L140-K143 HydrophobicContact CD2-CD 4.44Å; K143-G145 VanDerWaalsContact C-N 3.33Å; K143-G145 PolarHBondContact O-N 3.03Å; K143-A146 PolarHBondContact O-N 3.32Å; K143-E147 VanDerWaalsContact CE-OE1 3.23Å; K143-E147 WeakPolarHBondContact CE-OE1 3.41Å; K143-E147 IonicContact NZ-OE1 3.41Å; K143-E147 PolarHBondContact NZ-OE1 2.68Å; K143-E147 IonicContact NZ-OE2 3.54Å; K143-E147 PolarHBondContact NZ-OE2 2.69Å; K143-E147 WeakPolarHBondContact O-CG 3.44Å; K143-E147 PolarHBondContact O-N 3.31Å; K143-L171 HydrophobicContact CB-CD1 4.35Å; K143-L171 HydrophobicContact CG-CD1 3.5Å; K143-L171 VanDerWaalsContact CG-CD1 3.5Å; K143-S174 PolarHBondContact N-OG 3.46Å; K143-I178 HydrophobicContact CB-CD1 3.92Å; K143-I178 HydrophobicContact CD-CD1 4.02Å; K143-I178 HydrophobicContact CG-CD1 4.35Å
144	Q	82.5	Confident	78	Confident	96 Å²	96	67.9 Å²	67.9	45%	0.449	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-38.4	179.8	-172.9	65.7	69.5	0	0	112.1	L140 V142 E147 N148	L140-Q144 WeakPolarHBondContact O-CB 3.44Å; L140-Q144 PolarHBondContact O-N 3.03Å; V142-Q144 PolarHBondContact O-N 3.24Å; Q144-E147 PolarHBondContact O-N 3.45Å; Q144-N148 PolarHBondContact NE2-OD1 3.23Å; Q144-N148 WeakPolarHBondContact O-CB 2.95Å; Q144-N148 PolarHBondContact O-N 2.91Å; Q144-N148 PolarHBondContact O-OD1 3.04Å; Q144-N148 VanDerWaalsContact O-OD1 3.12Å
145	G	79	Confident	77.5	Confident	31 Å²	31	67.1 Å²	67.1	32%	0.32	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-41.9	174.2	0	0	0	0	0	112.5	K141 V142 K143 N148 M149	K141-G145 PolarHBondContact O-N 3.24Å; V142-G145 PolarHBondContact O-N 3.14Å; K143-G145 VanDerWaalsContact C-N 3.33Å; K143-G145 PolarHBondContact O-N 3.03Å; G145-N148 PolarHBondContact O-N 2.95Å; G145-M149 WeakPolarHBondContact O-CG 3.43Å; G145-M149 PolarHBondContact O-N 3.35Å
146	A	79.9	Confident	76.6	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.008	36%	0.358	C	S	.	.	H	α-helix	trans	-66.4	-42.8	175.7	0	0	0	0	0	112.3	V142 K143 N148 M149 I150 M170 L171	V142-A146 WeakPolarHBondContact O-CB 3.29Å; V142-A146 PolarHBondContact O-N 3.49Å; K143-A146 PolarHBondContact O-N 3.32Å; A146-N148 PolarHBondContact O-N 3.04Å; A146-M149 HydrophobicContact CB-CE 4.48Å; A146-M149 PolarHBondContact O-N 3.05Å; A146-I150 WeakPolarHBondContact O-CD1 3.5Å; A146-I150 VanDerWaalsContact O-CG1 3.26Å; A146-I150 WeakPolarHBondContact O-CG1 3.17Å; A146-I150 PolarHBondContact O-N 3.02Å; A146-M170 HydrophobicContact CB-CB 4.25Å; A146-L171 HydrophobicContact CB-CB 3.87Å; A146-L171 HydrophobicContact CB-CD1 4.46Å
147	E	83.3	Confident	75.4	Confident	52 Å²	52	73.4 Å²	73.4	24%	0.243	40%	0.396	C	S	.	.	H	α-helix	trans	-60.6	-43.7	174	-74.9	167.6	160	0	0	111.7	K143 Q144 I150 Q151 L171	K143-E147 VanDerWaalsContact CE-OE1 3.23Å; K143-E147 WeakPolarHBondContact CE-OE1 3.41Å; K143-E147 IonicContact NZ-OE1 3.41Å; K143-E147 PolarHBondContact NZ-OE1 2.68Å; K143-E147 IonicContact NZ-OE2 3.54Å; K143-E147 PolarHBondContact NZ-OE2 2.69Å; K143-E147 WeakPolarHBondContact O-CG 3.44Å; K143-E147 PolarHBondContact O-N 3.31Å; Q144-E147 PolarHBondContact O-N 3.45Å; E147-I150 PolarHBondContact O-N 2.99Å; E147-Q151 PolarHBondContact O-N 3.28Å; E147-L171 HydrophobicContact CG-CD1 3.65Å; E147-L171 HydrophobicContact CG-CD2 3.67Å; E147-L171 HydrophobicContact CG-CG 4.32Å
148	N	81.5	Confident	74.4	Confident	74 Å²	74	73.5 Å²	73.5	40%	0.396	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-42.3	175.3	-66	0.5	0	0	0	112.1	Q144 G145 A146 Q151 M152	Q144-N148 PolarHBondContact NE2-OD1 3.23Å; Q144-N148 WeakPolarHBondContact O-CB 2.95Å; Q144-N148 PolarHBondContact O-N 2.91Å; Q144-N148 PolarHBondContact O-OD1 3.04Å; Q144-N148 VanDerWaalsContact O-OD1 3.12Å; G145-N148 PolarHBondContact O-N 2.95Å; A146-N148 PolarHBondContact O-N 3.04Å; N148-Q151 PolarHBondContact O-N 3.01Å; N148-M152 WeakPolarHBondContact O-CG 3.18Å; N148-M152 PolarHBondContact O-N 3.24Å
149	M	77.3	Confident	73.5	Confident	63 Å²	63	79 Å²	79	31%	0.31	42%	0.423	S	S	.	.	H	α-helix	trans	-62.6	-42.5	175	-76.5	-170.8	-63.5	0	0	111.8	G145 A146 Q151 M152 Y153 A167 M170	G145-M149 WeakPolarHBondContact O-CG 3.43Å; G145-M149 PolarHBondContact O-N 3.35Å; A146-M149 HydrophobicContact CB-CE 4.48Å; A146-M149 PolarHBondContact O-N 3.05Å; M149-Q151 VanDerWaalsContact C-N 3.33Å; M149-Q151 PolarHBondContact O-N 3.31Å; M149-M152 PolarHBondContact O-N 3.41Å; M149-Y153 HydrophobicContact CB-CD2 4.28Å; M149-Y153 HydrophobicContact CB-CE2 4.12Å; M149-Y153 WeakPolarHBondContact O-CD2 3.33Å; M149-Y153 PolarHBondContact O-N 3.02Å; M149-A167 HydrophobicContact CB-CB 3.85Å; M149-A167 HydrophobicContact CE-CB 4.2Å; M149-M170 HydrophobicContact CE-CE 4.33Å; M149-M170 HydrophobicContact CE-SD 4.14Å
150	I	82	Confident	72.7	Confident	33 Å²	33	82.6 Å²	82.6	17%	0.169	44%	0.443	C	S	.	.	H	α-helix	trans	-59.4	-45.7	175.5	-70.2	160.6	0	0	0	110.3	A146 E147 M152 Y153 S154 L164 A167 Q168 L171	A146-I150 WeakPolarHBondContact O-CD1 3.5Å; A146-I150 VanDerWaalsContact O-CG1 3.26Å; A146-I150 WeakPolarHBondContact O-CG1 3.17Å; A146-I150 PolarHBondContact O-N 3.02Å; E147-I150 PolarHBondContact O-N 2.99Å; I150-M152 VanDerWaalsContact C-N 3.33Å; I150-M152 PolarHBondContact O-N 3.29Å; I150-Y153 PolarHBondContact O-N 3.2Å; I150-S154 WeakPolarHBondContact O-CB 3.16Å; I150-S154 PolarHBondContact O-N 3.37Å; I150-S154 PolarHBondContact O-OG 2.8Å; I150-L164 HydrophobicContact CB-CD1 4.34Å; I150-L164 HydrophobicContact CG1-CD1 4.27Å; I150-L164 HydrophobicContact CG2-CD1 4.02Å; I150-A167 HydrophobicContact CG1-CB 3.8Å; I150-Q168 HydrophobicContact CD1-CG 3.95Å; I150-Q168 HydrophobicContact CG1-CG 4.07Å; I150-L171 HydrophobicContact CD1-CB 4.16Å; I150-L171 HydrophobicContact CD1-CD2 3.6Å
151	Q	79.3	Confident	72.2	Confident	121 Å²	121	90 Å²	90	57%	0.565	47%	0.467	S	S	*	.	H	α-helix	trans	-63.3	-35.6	178.1	-166.4	-178.5	28.2	0	0	113	E147 N148 M149 S154 N155	E147-Q151 PolarHBondContact O-N 3.28Å; N148-Q151 PolarHBondContact O-N 3.01Å; M149-Q151 VanDerWaalsContact C-N 3.33Å; M149-Q151 PolarHBondContact O-N 3.31Å; Q151-S154 WeakPolarHBondContact CA-OG 3.24Å; Q151-S154 PolarHBondContact O-OG 2.98Å; Q151-S154 VanDerWaalsContact O-OG 3.09Å; Q151-N155 WeakPolarHBondContact O-CB 3.35Å; Q151-N155 VanDerWaalsContact O-CG 3.32Å; Q151-N155 PolarHBondContact O-N 3.16Å
152	M	75.2	Confident	71.7	Confident	134 Å²	134	91.1 Å²	91.1	66%	0.66	47%	0.472	S	S	*	.	H	α-helix	trans	-69	-43.9	173.7	-71.6	176.6	65.7	0	0	112	N148 M149 I150 G156	N148-M152 WeakPolarHBondContact O-CG 3.18Å; N148-M152 PolarHBondContact O-N 3.24Å; M149-M152 PolarHBondContact O-N 3.41Å; I150-M152 VanDerWaalsContact C-N 3.33Å; I150-M152 PolarHBondContact O-N 3.29Å; M152-G156 PolarHBondContact O-N 3.14Å; M152-G156 VanDerWaalsContact O-N 3.15Å
153	Y	73.8	Confident	71.3	Confident	82 Å²	82	92.4 Å²	92.4	32%	0.322	48%	0.477	S	S	.	.	H	α-helix	trans	-80.3	-18.2	-178.5	-64.6	-53.7	0	0	0	114.2	M149 I150 L163	M149-Y153 HydrophobicContact CB-CD2 4.28Å; M149-Y153 HydrophobicContact CB-CE2 4.12Å; M149-Y153 WeakPolarHBondContact O-CD2 3.33Å; M149-Y153 PolarHBondContact O-N 3.02Å; I150-Y153 PolarHBondContact O-N 3.2Å; Y153-L163 HydrophobicContact CD1-CB 4.45Å; Y153-L163 HydrophobicContact CD2-CB 4.14Å; Y153-L163 HydrophobicContact CE1-CB 4.09Å; Y153-L163 HydrophobicContact CE1-CD1 3.93Å; Y153-L163 HydrophobicContact CE2-CB 3.76Å; Y153-L163 HydrophobicContact CG-CB 4.5Å
154	S	67.7	Low	70.8	Confident	70 Å²	70	91.9 Å²	91.9	49%	0.49	48%	0.476	S	S	.	.	H	α-helix	trans	-76	-33.3	170.8	63.6	0	0	0	0	112.6	I150 Q151	I150-S154 WeakPolarHBondContact O-CB 3.16Å; I150-S154 PolarHBondContact O-N 3.37Å; I150-S154 PolarHBondContact O-OG 2.8Å; Q151-S154 WeakPolarHBondContact CA-OG 3.24Å; Q151-S154 PolarHBondContact O-OG 2.98Å; Q151-S154 VanDerWaalsContact O-OG 3.09Å
155	N	63	Low	70.2	Confident	129 Å²	129	89.6 Å²	89.6	69%	0.69	47%	0.474	S	S	*	.	H	α-helix	trans	-102.3	-7.9	-170.8	-61.4	4.1	0	0	0	113	Q151	Q151-N155 WeakPolarHBondContact O-CB 3.35Å; Q151-N155 VanDerWaalsContact O-CG 3.32Å; Q151-N155 PolarHBondContact O-N 3.16Å
156	G	55.3	Low	69.9	Low	36 Å²	36	90.5 Å²	90.5	37%	0.371	48%	0.478	S	S	.	.			trans	-83.2	143	179.9	0	0	0	0	0	114.3	M152 S158	M152-G156 PolarHBondContact O-N 3.14Å; M152-G156 VanDerWaalsContact O-N 3.15Å; G156-S158 VanDerWaalsContact C-N 3.27Å; G156-S158 PolarHBondContact O-N 3.47Å
157	S	51.2	Low	69.7	Low	127 Å²	127	90.5 Å²	90.5	89%	0.888	48%	0.478	S	S	*	.	S	Bend	trans	-63.9	-27.3	178	-175.4	0	0	0	0	113.8	K159	S157-K159 PolarHBondContact O-N 2.66Å
158	S	52.2	Low	69.4	Low	82 Å²	82	93.1 Å²	93.1	57%	0.573	49%	0.49	S	S	*	.	S	Bend	trans	-84.3	107.4	179.4	52.1	0	0	0	0	112.3	G156 D160	G156-S158 VanDerWaalsContact C-N 3.27Å; G156-S158 PolarHBondContact O-N 3.47Å; S158-D160 PolarHBondContact O-N 2.7Å
159	K	55.5	Low	69.1	Low	203 Å²	203	94.8 Å²	94.8	88%	0.883	50%	0.496	S	S	*	.			trans	-72.7	59.3	-176.6	-61.1	-177.9	-179.8	177.2	0	114.6	S157 R161	S157-K159 PolarHBondContact O-N 2.66Å; K159-R161 PolarHBondContact O-N 2.86Å
160	D	64.1	Low	69	Low	89 Å²	89	95.9 Å²	95.9	48%	0.476	50%	0.501	S	S	.	.			trans	-78	67.2	176.3	-116.4	-49.2	0	0	0	112.2	S158 K162 L163 L164	S158-D160 PolarHBondContact O-N 2.7Å; D160-K162 PolarHBondContact O-N 3.45Å; D160-L163 HydrophobicContact CB-CB 4.43Å; D160-L163 HydrophobicContact CB-CD1 4.02Å; D160-L163 HydrophobicContact CB-CG 4.22Å; D160-L163 PolarHBondContact O-N 2.9Å; D160-L164 PolarHBondContact O-N 3.5Å
161	R	67.4	Low	68.9	Low	214 Å²	214	95.2 Å²	95.2	81%	0.808	50%	0.498	S	S	*	.	H	α-helix	trans	-54.7	-22.4	-175.4	-173.3	174.7	179.8	167.1	2.9	113.8	K159 A165	K159-R161 PolarHBondContact O-N 2.86Å; R161-A165 WeakPolarHBondContact O-CB 3.47Å; R161-A165 PolarHBondContact O-N 2.87Å
162	K	69.1	Low	68.6	Low	173 Å²	173	94.1 Å²	94.1	75%	0.752	49%	0.493	S	S	*	.	H	α-helix	trans	-72.5	-41.3	173.7	-70.5	-171.6	175.4	-171.7	0	112.8	D160 A165 A166	D160-K162 PolarHBondContact O-N 3.45Å; K162-A165 PolarHBondContact O-N 2.84Å; K162-A166 WeakPolarHBondContact O-CB 3.23Å; K162-A166 PolarHBondContact O-N 2.91Å
163	L	72.4	Confident	68.3	Low	78 Å²	78	90.1 Å²	90.1	41%	0.408	47%	0.474	S	S	.	.	H	α-helix	trans	-72.3	-38.4	179.9	-59.9	179.4	0	0	0	110.8	Y153 D160 A166 A167	Y153-L163 HydrophobicContact CD1-CB 4.45Å; Y153-L163 HydrophobicContact CD2-CB 4.14Å; Y153-L163 HydrophobicContact CE1-CB 4.09Å; Y153-L163 HydrophobicContact CE1-CD1 3.93Å; Y153-L163 HydrophobicContact CE2-CB 3.76Å; Y153-L163 HydrophobicContact CG-CB 4.5Å; D160-L163 HydrophobicContact CB-CB 4.43Å; D160-L163 HydrophobicContact CB-CD1 4.02Å; D160-L163 HydrophobicContact CB-CG 4.22Å; D160-L163 PolarHBondContact O-N 2.9Å; L163-A166 PolarHBondContact O-N 3.38Å; L163-A167 WeakPolarHBondContact O-CB 3.31Å; L163-A167 PolarHBondContact O-N 2.79Å
164	L	74.7	Confident	68.5	Low	41 Å²	41	86.3 Å²	86.3	22%	0.215	46%	0.459	C	S	.	.	H	α-helix	trans	-59.1	-46.9	170.5	-179.1	61.5	0	0	0	111.7	I150 D160 A167 Q168	I150-L164 HydrophobicContact CB-CD1 4.34Å; I150-L164 HydrophobicContact CG1-CD1 4.27Å; I150-L164 HydrophobicContact CG2-CD1 4.02Å; D160-L164 PolarHBondContact O-N 3.5Å; L164-A167 PolarHBondContact O-N 2.95Å; L164-Q168 HydrophobicContact CD1-CG 4.49Å; L164-Q168 WeakPolarHBondContact O-CB 3.15Å; L164-Q168 VanDerWaalsContact O-CG 3.28Å; L164-Q168 WeakPolarHBondContact O-CG 3.47Å; L164-Q168 PolarHBondContact O-N 3.41Å
165	A	70.1	Confident	68.8	Low	49 Å²	49	87.2 Å²	87.2	41%	0.405	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-39.2	177.8	0	0	0	0	0	112.7	R161 K162 Q168 Q169	R161-A165 WeakPolarHBondContact O-CB 3.47Å; R161-A165 PolarHBondContact O-N 2.87Å; K162-A165 PolarHBondContact O-N 2.84Å; A165-Q168 PolarHBondContact O-N 3.46Å; A165-Q169 PolarHBondContact O-N 2.87Å
166	A	72.9	Confident	69	Low	49 Å²	49	82.1 Å²	82.1	41%	0.405	43%	0.428	S	S	.	.	H	α-helix	trans	-63.8	-44	175	0	0	0	0	0	111.9	K162 L163 Q168 Q169 M170	K162-A166 WeakPolarHBondContact O-CB 3.23Å; K162-A166 PolarHBondContact O-N 2.91Å; L163-A166 PolarHBondContact O-N 3.38Å; A166-Q168 VanDerWaalsContact C-N 3.33Å; A166-Q168 PolarHBondContact O-N 3.44Å; A166-Q169 PolarHBondContact O-N 3.27Å; A166-M170 WeakPolarHBondContact O-CG 3.37Å; A166-M170 PolarHBondContact O-N 3.08Å
167	A	76.1	Confident	69.9	Low	2 Å²	2	81.2 Å²	81.2	2%	0.017	41%	0.414	C	S	.	.	H	α-helix	trans	-65.4	-35.8	175.6	0	0	0	0	0	112.3	M149 I150 L163 L164 L171	M149-A167 HydrophobicContact CB-CB 3.85Å; M149-A167 HydrophobicContact CE-CB 4.2Å; I150-A167 HydrophobicContact CG1-CB 3.8Å; L163-A167 WeakPolarHBondContact O-CB 3.31Å; L163-A167 PolarHBondContact O-N 2.79Å; L164-A167 PolarHBondContact O-N 2.95Å; A167-L171 WeakPolarHBondContact O-CB 3.26Å; A167-L171 PolarHBondContact O-N 3.48Å
168	Q	77.2	Confident	71.1	Confident	106 Å²	106	75.7 Å²	75.7	50%	0.495	37%	0.374	S	S	.	.	H	α-helix	trans	-64.3	-41.6	172.6	-74.9	173.5	-33.1	0	0	112.5	I150 L164 A165 A166 L171 Q172	I150-Q168 HydrophobicContact CD1-CG 3.95Å; I150-Q168 HydrophobicContact CG1-CG 4.07Å; L164-Q168 HydrophobicContact CD1-CG 4.49Å; L164-Q168 WeakPolarHBondContact O-CB 3.15Å; L164-Q168 VanDerWaalsContact O-CG 3.28Å; L164-Q168 WeakPolarHBondContact O-CG 3.47Å; L164-Q168 PolarHBondContact O-N 3.41Å; A165-Q168 PolarHBondContact O-N 3.46Å; A166-Q168 VanDerWaalsContact C-N 3.33Å; A166-Q168 PolarHBondContact O-N 3.44Å; Q168-L171 PolarHBondContact O-N 2.63Å; Q168-Q172 PolarHBondContact O-N 2.9Å
169	Q	74.7	Confident	72	Confident	109 Å²	109	76.6 Å²	76.6	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-51.7	174.7	-171.7	63.6	49.2	0	0	111.1	A165 A166 L171 Q172 D173	A165-Q169 PolarHBondContact O-N 2.87Å; A166-Q169 PolarHBondContact O-N 3.27Å; Q169-L171 PolarHBondContact O-N 2.9Å; Q169-Q172 PolarHBondContact O-N 3.4Å; Q169-D173 PolarHBondContact NE2-OD1 3.49Å; Q169-D173 VanDerWaalsContact O-CG 3.25Å; Q169-D173 PolarHBondContact O-N 2.8Å
170	M	75	Confident	72.7	Confident	86 Å²	86	67.4 Å²	67.4	42%	0.424	33%	0.33	S	S	.	.	H	α-helix	trans	-54.6	-38.4	177	-71.2	177.3	70.1	0	0	112.4	V142 A146 M149 A166 S174	V142-M170 HydrophobicContact CG1-CE 4.43Å; A146-M170 HydrophobicContact CB-CB 4.25Å; M149-M170 HydrophobicContact CE-CE 4.33Å; M149-M170 HydrophobicContact CE-SD 4.14Å; A166-M170 WeakPolarHBondContact O-CG 3.37Å; A166-M170 PolarHBondContact O-N 3.08Å; M170-S174 WeakPolarHBondContact O-CB 3.12Å; M170-S174 PolarHBondContact O-N 3.27Å
171	L	79.7	Confident	73	Confident	20 Å²	20	63.2 Å²	63.2	11%	0.105	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-39.7	175.6	-179.1	55.1	0	0	0	112.4	K143 A146 E147 I150 A167 Q168 Q169 K175	K143-L171 HydrophobicContact CB-CD1 4.35Å; K143-L171 HydrophobicContact CG-CD1 3.5Å; K143-L171 VanDerWaalsContact CG-CD1 3.5Å; A146-L171 HydrophobicContact CB-CB 3.87Å; A146-L171 HydrophobicContact CB-CD1 4.46Å; E147-L171 HydrophobicContact CG-CD1 3.65Å; E147-L171 HydrophobicContact CG-CD2 3.67Å; E147-L171 HydrophobicContact CG-CG 4.32Å; I150-L171 HydrophobicContact CD1-CB 4.16Å; I150-L171 HydrophobicContact CD1-CD2 3.6Å; A167-L171 WeakPolarHBondContact O-CB 3.26Å; A167-L171 PolarHBondContact O-N 3.48Å; Q168-L171 PolarHBondContact O-N 2.63Å; Q169-L171 PolarHBondContact O-N 2.9Å; L171-K175 HydrophobicContact CD1-CD 4.31Å; L171-K175 HydrophobicContact CD1-CG 4.26Å; L171-K175 HydrophobicContact CG-CD 4.28Å; L171-K175 WeakPolarHBondContact O-CB 3.28Å; L171-K175 VanDerWaalsContact O-CG 3.23Å; L171-K175 WeakPolarHBondContact O-CG 3.38Å; L171-K175 PolarHBondContact O-N 2.69Å
172	Q	73.4	Confident	73.4	Confident	97 Å²	97	59.1 Å²	59.1	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-72	-43.7	-179.8	-174.3	57.3	29.6	0	0	112.1	Q168 Q169 S174 K175 T176	Q168-Q172 PolarHBondContact O-N 2.9Å; Q169-Q172 PolarHBondContact O-N 3.4Å; Q172-S174 VanDerWaalsContact C-N 3.34Å; Q172-K175 PolarHBondContact O-N 3.46Å; Q172-T176 WeakPolarHBondContact O-CB 3.38Å; Q172-T176 PolarHBondContact O-N 2.89Å; Q172-T176 PolarHBondContact O-OG1 2.94Å
173	D	69.7	Low	73.3	Confident	51 Å²	51	54 Å²	54	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-47	176.4	-55.9	-24.7	0	0	0	110.1	Q169 T176 K177 V477	Q169-D173 PolarHBondContact NE2-OD1 3.49Å; Q169-D173 VanDerWaalsContact O-CG 3.25Å; Q169-D173 PolarHBondContact O-N 2.8Å; D173-T176 PolarHBondContact O-N 3.23Å; D173-K177 VanDerWaalsContact O-CB 3.32Å; D173-K177 WeakPolarHBondContact O-CB 3.14Å; D173-K177 PolarHBondContact O-N 3.37Å; D173-V477 HydrophobicContact CB-CG1 4.49Å
174	S	76.5	Confident	73	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-44.4	179.7	-166.7	0	0	0	0	112.1	E139 K143 M170 Q172 T176 K177 I178	E139-S174 WeakPolarHBondContact CG-OG 3.26Å; E139-S174 PolarHBondContact O-OG 2.9Å; E139-S174 VanDerWaalsContact OE1-CB 3.3Å; E139-S174 WeakPolarHBondContact OE1-CB 3.23Å; E139-S174 PolarHBondContact OE1-OG 2.79Å; K143-S174 PolarHBondContact N-OG 3.46Å; M170-S174 WeakPolarHBondContact O-CB 3.12Å; M170-S174 PolarHBondContact O-N 3.27Å; Q172-S174 VanDerWaalsContact C-N 3.34Å; S174-T176 PolarHBondContact O-N 3.11Å; S174-K177 PolarHBondContact O-N 2.96Å; S174-I178 WeakPolarHBondContact O-CD1 3.02Å; S174-I178 WeakPolarHBondContact O-CG1 3.49Å; S174-I178 PolarHBondContact O-N 2.9Å
175	K	75.6	Confident	72.8	Confident	90 Å²	90	50.6 Å²	50.6	39%	0.391	25%	0.253	S	S	.	.	H	α-helix	trans	-57.3	-49.2	172.8	-79.5	173.5	179	-178.9	0	112.3	L171 Q172 K177 I178 E179	L171-K175 HydrophobicContact CD1-CD 4.31Å; L171-K175 HydrophobicContact CD1-CG 4.26Å; L171-K175 HydrophobicContact CG-CD 4.28Å; L171-K175 WeakPolarHBondContact O-CB 3.28Å; L171-K175 VanDerWaalsContact O-CG 3.23Å; L171-K175 WeakPolarHBondContact O-CG 3.38Å; L171-K175 PolarHBondContact O-N 2.69Å; Q172-K175 PolarHBondContact O-N 3.46Å; K175-K177 VanDerWaalsContact C-N 3.27Å; K175-K177 PolarHBondContact O-N 2.97Å; K175-I178 PolarHBondContact O-N 3.17Å; K175-E179 PolarHBondContact O-N 3Å; K175-E179 VanDerWaalsContact O-N 3.08Å
176	T	67.1	Low	72.7	Confident	21 Å²	21	52.9 Å²	52.9	13%	0.129	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-39.8	-179	-53.4	0	0	0	0	111.2	Q172 D173 S174 F180 R480	Q172-T176 WeakPolarHBondContact O-CB 3.38Å; Q172-T176 PolarHBondContact O-N 2.89Å; Q172-T176 PolarHBondContact O-OG1 2.94Å; D173-T176 PolarHBondContact O-N 3.23Å; S174-T176 PolarHBondContact O-N 3.11Å; T176-F180 PolarHBondContact O-N 2.89Å; T176-R480 HydrophobicContact CG2-CB 4.29Å; T176-R480 HydrophobicContact CG2-CG 3.92Å
177	K	74	Confident	72.2	Confident	18 Å²	18	55 Å²	55	8%	0.078	26%	0.258	C	S	.	.	H	α-helix	trans	-73.4	-40.7	179.2	-173.8	166.4	167.1	-161.4	0	113.4	E139 D173 S174 K175 E179 F180 I181 P476 I478	E139-K177 HydrophobicContact CG-CB 4.15Å; E139-K177 HydrophobicContact CG-CD 4.25Å; E139-K177 HydrophobicContact CG-CG 4.1Å; E139-K177 VanDerWaalsContact OE2-CD 3.22Å; E139-K177 WeakPolarHBondContact OE2-CD 3.12Å; E139-K177 WeakPolarHBondContact OE2-CE 3.2Å; E139-K177 IonicContact OE2-NZ 3.09Å; E139-K177 PolarHBondContact OE2-NZ 2.64Å; D173-K177 VanDerWaalsContact O-CB 3.32Å; D173-K177 WeakPolarHBondContact O-CB 3.14Å; D173-K177 PolarHBondContact O-N 3.37Å; S174-K177 PolarHBondContact O-N 2.96Å; K175-K177 VanDerWaalsContact C-N 3.27Å; K175-K177 PolarHBondContact O-N 2.97Å; K177-E179 VanDerWaalsContact C-N 3.3Å; K177-E179 PolarHBondContact O-N 3.18Å; K177-F180 PolarHBondContact O-N 3.47Å; K177-I181 HydrophobicContact CG-CD1 3.74Å; K177-I181 HydrophobicContact CG-CG1 4.43Å; K177-I181 WeakPolarHBondContact O-CB 3.23Å; K177-I181 WeakPolarHBondContact O-CD1 3.36Å; K177-I181 WeakPolarHBondContact O-CG1 3.45Å; K177-I181 PolarHBondContact O-N 3.29Å; K177-P476 WeakPolarHBondContact CD-O 3.24Å; K177-P476 VanDerWaalsContact CE-O 3.22Å; K177-P476 WeakPolarHBondContact CE-O 3.43Å; K177-P476 PolarHBondContact NZ-O 3.07Å; K177-I478 HydrophobicContact CB-CD1 4.48Å; K177-I478 HydrophobicContact CG-CD1 4.23Å
178	I	76.1	Confident	71.6	Confident	11 Å²	11	56.1 Å²	56.1	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-55.3	-46.9	170.7	-70.6	162.3	0	0	0	110.1	E139 L140 K143 S174 K175 I181 R182	E139-I178 HydrophobicContact CB-CD1 4.49Å; E139-I178 HydrophobicContact CB-CG1 3.79Å; E139-I178 HydrophobicContact CG-CD1 4.35Å; E139-I178 HydrophobicContact CG-CG1 3.69Å; L140-I178 HydrophobicContact CD2-CD1 3.89Å; L140-I178 HydrophobicContact CD2-CG2 4.42Å; L140-I178 HydrophobicContact CG-CD1 4.17Å; L140-I178 HydrophobicContact CG-CG1 4.49Å; K143-I178 HydrophobicContact CB-CD1 3.92Å; K143-I178 HydrophobicContact CD-CD1 4.02Å; K143-I178 HydrophobicContact CG-CD1 4.35Å; S174-I178 WeakPolarHBondContact O-CD1 3.02Å; S174-I178 WeakPolarHBondContact O-CG1 3.49Å; S174-I178 PolarHBondContact O-N 2.9Å; K175-I178 PolarHBondContact O-N 3.17Å; I178-I181 PolarHBondContact O-N 2.76Å; I178-R182 WeakPolarHBondContact O-CB 3.34Å; I178-R182 VanDerWaalsContact O-CG 3.24Å; I178-R182 WeakPolarHBondContact O-CG 3.48Å; I178-R182 PolarHBondContact O-N 3.37Å
179	E	71	Confident	71	Confident	100 Å²	100	52.3 Å²	52.3	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-45.9	-179	-160	-146.5	121	0	0	112	K175 K177 R182 M183 R480	K175-E179 PolarHBondContact O-N 3Å; K175-E179 VanDerWaalsContact O-N 3.08Å; K177-E179 VanDerWaalsContact C-N 3.3Å; K177-E179 PolarHBondContact O-N 3.18Å; E179-R182 PolarHBondContact O-N 3.5Å; E179-M183 PolarHBondContact O-N 3.46Å; E179-R480 IonicContact OE1-CZ 3.55Å; E179-R480 IonicContact OE1-NH1 2.84Å; E179-R480 PolarHBondContact OE1-NH1 2.87Å; E179-R480 IonicContact OE1-NH2 2.73Å; E179-R480 PolarHBondContact OE1-NH2 3.41Å; E179-R480 IonicContact OE2-CZ 2.94Å; E179-R480 IonicContact OE2-NH1 2.61Å; E179-R480 PolarHBondContact OE2-NH1 3.39Å; E179-R480 IonicContact OE2-NH2 3.35Å
180	F	69.4	Low	70.1	Confident	11 Å²	11	52.4 Å²	52.4	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-43.1	176.9	-167.7	-80.1	0	0	0	112.6	T176 K177 R182 M183 Q184 A320 E447 L450 I478	T176-F180 PolarHBondContact O-N 2.89Å; K177-F180 PolarHBondContact O-N 3.47Å; F180-R182 VanDerWaalsContact C-N 3.3Å; F180-R182 PolarHBondContact O-N 3.42Å; F180-M183 HydrophobicContact CD2-CE 3.66Å; F180-M183 HydrophobicContact CE1-CE 4.4Å; F180-M183 HydrophobicContact CE2-CE 3.49Å; F180-M183 VanDerWaalsContact CE2-CE 3.49Å; F180-M183 HydrophobicContact CG-CE 4.2Å; F180-M183 HydrophobicContact CZ-CE 3.89Å; F180-M183 WeakPolarHBondContact O-CB 3.35Å; F180-M183 PolarHBondContact O-N 2.93Å; F180-M183 VanDerWaalsContact O-N 3.16Å; F180-Q184 HydrophobicContact CD1-CG 3.76Å; F180-Q184 HydrophobicContact CE1-CG 3.38Å; F180-Q184 HydrophobicContact CZ-CG 4.27Å; F180-Q184 PolarHBondContact O-N 3.25Å; F180-A320 HydrophobicContact CE2-CB 3.96Å; F180-A320 HydrophobicContact CZ-CB 4.33Å; F180-E447 HydrophobicContact CE1-CB 4.43Å; F180-E447 HydrophobicContact CZ-CB 4.02Å; F180-L450 HydrophobicContact CD1-CD1 3.59Å; F180-L450 HydrophobicContact CE1-CD1 3.28Å; F180-L450 HydrophobicContact CZ-CD1 4.08Å; F180-I478 HydrophobicContact CB-CD1 3.47Å; F180-I478 VanDerWaalsContact CB-CD1 3.47Å; F180-I478 HydrophobicContact CD1-CD1 3.73Å; F180-I478 HydrophobicContact CD2-CD1 4.21Å; F180-I478 HydrophobicContact CD2-CG2 4.31Å; F180-I478 HydrophobicContact CG-CD1 3.53Å
181	I	70.5	Confident	69.1	Low	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-40.3	177.4	-66.6	160.9	0	0	0	110.2	L132 Q135 N136 K177 I178 M183 Q184 I185	L132-I181 HydrophobicContact CB-CG2 4.18Å; L132-I181 HydrophobicContact CD2-CG2 4.27Å; L132-I181 VanDerWaalsContact O-CG2 3.28Å; L132-I181 WeakPolarHBondContact O-CG2 3.5Å; Q135-I181 HydrophobicContact CB-CD1 4.44Å; Q135-I181 HydrophobicContact CG-CD1 3.73Å; N136-I181 HydrophobicContact CB-CG2 3.83Å; K177-I181 HydrophobicContact CG-CD1 3.74Å; K177-I181 HydrophobicContact CG-CG1 4.43Å; K177-I181 WeakPolarHBondContact O-CB 3.23Å; K177-I181 WeakPolarHBondContact O-CD1 3.36Å; K177-I181 WeakPolarHBondContact O-CG1 3.45Å; K177-I181 PolarHBondContact O-N 3.29Å; I178-I181 PolarHBondContact O-N 2.76Å; I181-M183 VanDerWaalsContact C-N 3.34Å; I181-M183 PolarHBondContact O-N 2.89Å; I181-Q184 PolarHBondContact O-N 2.93Å; I181-I185 HydrophobicContact CG2-CD1 3.84Å; I181-I185 HydrophobicContact CG2-CG1 4.34Å; I181-I185 WeakPolarHBondContact O-CB 3.34Å; I181-I185 VanDerWaalsContact O-CG1 3.27Å; I181-I185 WeakPolarHBondContact O-CG1 3.39Å; I181-I185 PolarHBondContact O-N 2.94Å
182	R	75.2	Confident	67.7	Low	127 Å²	127	52 Å²	52	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-61.5	-40.5	173.6	-73.6	171.3	179.4	-161.7	-1.7	112.5	N136 I178 E179 F180 I185 L186	N136-R182 PolarHBondContact OD1-NE 2.82Å; I178-R182 WeakPolarHBondContact O-CB 3.34Å; I178-R182 VanDerWaalsContact O-CG 3.24Å; I178-R182 WeakPolarHBondContact O-CG 3.48Å; I178-R182 PolarHBondContact O-N 3.37Å; E179-R182 PolarHBondContact O-N 3.5Å; F180-R182 VanDerWaalsContact C-N 3.3Å; F180-R182 PolarHBondContact O-N 3.42Å; R182-I185 PolarHBondContact O-N 3.37Å; R182-L186 WeakPolarHBondContact O-CB 3.24Å; R182-L186 PolarHBondContact O-N 3.24Å
183	M	67.9	Low	66.6	Low	66 Å²	66	53.4 Å²	53.4	33%	0.325	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-43.1	173.6	-177.3	-172.4	66.4	0	0	111.9	E179 F180 I181 L186 K187	E179-M183 PolarHBondContact O-N 3.46Å; F180-M183 HydrophobicContact CD2-CE 3.66Å; F180-M183 HydrophobicContact CE1-CE 4.4Å; F180-M183 HydrophobicContact CE2-CE 3.49Å; F180-M183 VanDerWaalsContact CE2-CE 3.49Å; F180-M183 HydrophobicContact CG-CE 4.2Å; F180-M183 HydrophobicContact CZ-CE 3.89Å; F180-M183 WeakPolarHBondContact O-CB 3.35Å; F180-M183 PolarHBondContact O-N 2.93Å; F180-M183 VanDerWaalsContact O-N 3.16Å; I181-M183 VanDerWaalsContact C-N 3.34Å; I181-M183 PolarHBondContact O-N 2.89Å; M183-L186 PolarHBondContact O-N 3.37Å; M183-K187 WeakPolarHBondContact O-CG 3.37Å; M183-K187 PolarHBondContact O-N 3.15Å
184	Q	65.6	Low	65.5	Low	21 Å²	21	55.9 Å²	55.9	10%	0.098	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-36.7	175.6	-65.7	-70.6	56.8	0	0	112.3	L132 F180 I181 L186 K187 A188	L132-Q184 HydrophobicContact CD1-CB 3.94Å; L132-Q184 HydrophobicContact CD2-CB 4.43Å; F180-Q184 HydrophobicContact CD1-CG 3.76Å; F180-Q184 HydrophobicContact CE1-CG 3.38Å; F180-Q184 HydrophobicContact CZ-CG 4.27Å; F180-Q184 PolarHBondContact O-N 3.25Å; I181-Q184 PolarHBondContact O-N 2.93Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 2.96Å; Q184-K187 PolarHBondContact O-N 3.18Å; Q184-A188 VanDerWaalsContact O-CB 3.26Å; Q184-A188 WeakPolarHBondContact O-CB 3.48Å; Q184-A188 PolarHBondContact O-N 3.04Å
185	I	71.8	Confident	63.9	Low	27 Å²	27	58.5 Å²	58.5	14%	0.138	30%	0.3	C	S	.	.	H	α-helix	trans	-60.4	-43.4	172.3	-72.4	167.1	0	0	0	110.6	L129 L132 K133 N136 I181 R182 A188 S189	L129-I185 HydrophobicContact CD1-CB 4.41Å; L129-I185 HydrophobicContact CD1-CG2 3.95Å; L132-I185 HydrophobicContact CB-CD1 4.2Å; L132-I185 HydrophobicContact CB-CG1 3.66Å; K133-I185 HydrophobicContact CG-CD1 3.96Å; K133-I185 HydrophobicContact CG-CG1 4.4Å; N136-I185 HydrophobicContact CB-CD1 4.28Å; I181-I185 HydrophobicContact CG2-CD1 3.84Å; I181-I185 HydrophobicContact CG2-CG1 4.34Å; I181-I185 WeakPolarHBondContact O-CB 3.34Å; I181-I185 VanDerWaalsContact O-CG1 3.27Å; I181-I185 WeakPolarHBondContact O-CG1 3.39Å; I181-I185 PolarHBondContact O-N 2.94Å; R182-I185 PolarHBondContact O-N 3.37Å; I185-A188 PolarHBondContact O-N 2.95Å; I185-S189 WeakPolarHBondContact O-CB 3.36Å; I185-S189 PolarHBondContact O-N 3.48Å; I185-S189 PolarHBondContact O-OG 2.66Å
186	L	66.9	Low	62.3	Low	96 Å²	96	62.6 Å²	62.6	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-45	176.3	-97.6	157	0	0	0	112.7	R182 M183 Q184 A188 S189 Q190	R182-L186 WeakPolarHBondContact O-CB 3.24Å; R182-L186 PolarHBondContact O-N 3.24Å; M183-L186 PolarHBondContact O-N 3.37Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 2.96Å; L186-A188 VanDerWaalsContact C-N 3.35Å; L186-S189 PolarHBondContact O-N 3.17Å; L186-S189 PolarHBondContact O-OG 3.37Å; L186-Q190 WeakPolarHBondContact O-CB 3.39Å; L186-Q190 VanDerWaalsContact O-CG 3.25Å; L186-Q190 WeakPolarHBondContact O-CG 3.46Å; L186-Q190 PolarHBondContact O-N 3.09Å; L186-Q190 VanDerWaalsContact O-N 3.1Å
187	K	63.3	Low	60.9	Low	95 Å²	95	69.8 Å²	69.8	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-43.8	174.4	-74.2	-179.2	176.8	-175.4	0	111.5	M183 Q184 A191	M183-K187 WeakPolarHBondContact O-CG 3.37Å; M183-K187 PolarHBondContact O-N 3.15Å; Q184-K187 PolarHBondContact O-N 3.18Å; K187-A191 PolarHBondContact O-N 2.42Å
188	A	62.8	Low	59.1	Low	25 Å²	25	73.6 Å²	73.6	21%	0.207	38%	0.379	C	S	.	.	H	α-helix	trans	-69.3	-38.3	179.5	0	0	0	0	0	112.8	L129 Q184 I185 L186 A191 T192	L129-A188 HydrophobicContact CD1-CB 4.04Å; Q184-A188 VanDerWaalsContact O-CB 3.26Å; Q184-A188 WeakPolarHBondContact O-CB 3.48Å; Q184-A188 PolarHBondContact O-N 3.04Å; I185-A188 PolarHBondContact O-N 2.95Å; L186-A188 VanDerWaalsContact C-N 3.35Å; A188-A191 PolarHBondContact O-N 2.96Å; A188-T192 PolarHBondContact O-N 2.89Å; A188-T192 PolarHBondContact O-OG1 3.16Å
189	S	64.8	Low	57.1	Low	25 Å²	25	80.3 Å²	80.3	18%	0.175	42%	0.416	C	S	.	.	H	α-helix	trans	-68.8	-40.9	177.5	68.6	0	0	0	0	112.2	I185 L186 A191 T192 E193	I185-S189 WeakPolarHBondContact O-CB 3.36Å; I185-S189 PolarHBondContact O-N 3.48Å; I185-S189 PolarHBondContact O-OG 2.66Å; L186-S189 PolarHBondContact O-N 3.17Å; L186-S189 PolarHBondContact O-OG 3.37Å; S189-A191 VanDerWaalsContact C-N 3.26Å; S189-A191 PolarHBondContact O-N 3.23Å; S189-T192 PolarHBondContact O-N 3.15Å; S189-E193 WeakPolarHBondContact O-CG 3.23Å; S189-E193 PolarHBondContact O-N 3.04Å
190	Q	55.6	Low	55.3	Low	111 Å²	111	82.2 Å²	82.2	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-61.6	-33.7	175.5	-71.8	171.5	11.8	0	0	112.4	L186	L186-Q190 WeakPolarHBondContact O-CB 3.39Å; L186-Q190 VanDerWaalsContact O-CG 3.25Å; L186-Q190 WeakPolarHBondContact O-CG 3.46Å; L186-Q190 PolarHBondContact O-N 3.09Å; L186-Q190 VanDerWaalsContact O-N 3.1Å
191	A	54	Low	54	Low	73 Å²	73	88.8 Å²	88.8	60%	0.603	46%	0.464	S	S	*	.	H	α-helix	trans	-69.5	-32.8	173	0	0	0	0	0	113	K187 A188 S189	K187-A191 PolarHBondContact O-N 2.42Å; A188-A191 PolarHBondContact O-N 2.96Å; S189-A191 VanDerWaalsContact C-N 3.26Å; S189-A191 PolarHBondContact O-N 3.23Å
192	T	51.5	Low	52.1	Low	24 Å²	24	97.9 Å²	97.9	15%	0.147	51%	0.509	C	S	.	.	H	α-helix	trans	-78.8	-42.9	177.5	-59.5	0	0	0	0	112.9	A188 S189 L194 S195	A188-T192 PolarHBondContact O-N 2.89Å; A188-T192 PolarHBondContact O-OG1 3.16Å; S189-T192 PolarHBondContact O-N 3.15Å; T192-L194 VanDerWaalsContact C-N 3.3Å; T192-L194 PolarHBondContact O-N 3.38Å; T192-S195 WeakPolarHBondContact O-CB 3.44Å; T192-S195 PolarHBondContact O-N 3.07Å; T192-S195 PolarHBondContact O-OG 3.19Å
193	E	49.6	Very low	50.4	Low	128 Å²	128	96.9 Å²	96.9	60%	0.598	53%	0.528	S	S	*	.	H	α-helix	trans	-59.7	-38.9	-172.9	-76.3	164.2	178.2	0	0	112.4	S189 S195 F196	S189-E193 WeakPolarHBondContact O-CG 3.23Å; S189-E193 PolarHBondContact O-N 3.04Å; E193-S195 PolarHBondContact O-N 2.8Å; E193-F196 PolarHBondContact O-N 2.9Å
194	L	46.8	Very low	48.7	Very low	102 Å²	102	101.4 Å²	101.4	53%	0.534	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	-5.7	178.3	-69.9	164.9	0	0	0	114.6	T192 F196 I207	T192-L194 VanDerWaalsContact C-N 3.3Å; T192-L194 PolarHBondContact O-N 3.38Å; L194-F196 VanDerWaalsContact C-N 3.3Å; L194-I207 HydrophobicContact CD1-CD1 3.21Å
195	S	42.4	Very low	47.1	Very low	56 Å²	56	109.5 Å²	109.5	39%	0.392	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.8	-15	172.8	69.7	0	0	0	0	113.7	T192 E193	T192-S195 WeakPolarHBondContact O-CB 3.44Å; T192-S195 PolarHBondContact O-N 3.07Å; T192-S195 PolarHBondContact O-OG 3.19Å; E193-S195 PolarHBondContact O-N 2.8Å
196	F	41.7	Very low	45.2	Very low	176 Å²	176	114 Å²	114	77%	0.772	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-25	-177	-80.4	-89.3	0	0	0	114.7	E193 L194 S198	E193-F196 PolarHBondContact O-N 2.9Å; L194-F196 VanDerWaalsContact C-N 3.3Å; F196-S198 PolarHBondContact O-N 2.77Å
197	E	37.1	Very low	44.3	Very low	172 Å²	172	115.5 Å²	115.5	80%	0.804	63%	0.629	S	S	*	*			trans	-102	62.6	-179.9	-66.3	-163.9	148.9	0	0	112.6	N199	E197-N199 PolarHBondContact O-N 3.01Å
198	S	37	Very low	43.9	Very low	98 Å²	98	113.4 Å²	113.4	69%	0.685	62%	0.622	S	S	*	*			trans	-92.7	69.5	167.8	-71.8	0	0	0	0	111.9	F196	F196-S198 PolarHBondContact O-N 2.77Å
199	N	34.8	Very low	43.6	Very low	153 Å²	153	114.5 Å²	114.5	82%	0.818	63%	0.628	S	S	*	*	S	Bend	trans	-163.1	133.3	153	-101.6	-23.7	0	0	0	112.6	E197	E197-N199 PolarHBondContact O-N 3.01Å
200	D	33.6	Very low	43.3	Very low	140 Å²	140	117.6 Å²	117.6	75%	0.749	65%	0.647	S	S	*	*	S	Bend	trans	59	117.7	166.6	-73.6	-33.3	0	0	0	122.1
201	L	41.3	Very low	43.6	Very low	149 Å²	149	117 Å²	117	78%	0.78	65%	0.647	S	S	*	*			trans	70	56.6	134.4	-60.7	172.3	0	0	0	120.5
202	M	31.4	Very low	44.2	Very low	192 Å²	192	114.9 Å²	114.9	95%	0.946	63%	0.625	S	S	*	*			trans	-144.5	114.6	139.8	-87	-55.5	146.1	0	0	111.9
203	A	38.3	Very low	45	Very low	106 Å²	106	117.5 Å²	117.5	88%	0.876	64%	0.638	S	S	*	*			trans	-120.7	68.8	-174.6	0	0	0	0	0	112.7
204	D	32.7	Very low	46.2	Very low	160 Å²	160	113.7 Å²	113.7	86%	0.856	62%	0.618	S	S	*	*			trans	-153.4	45.2	164.9	-151.5	7.5	0	0	0	114.3
205	K	31.3	Very low	47.6	Very low	192 Å²	192	109.4 Å²	109.4	84%	0.835	60%	0.596	S	S	*	*			trans	-136.7	104	163.9	-76.2	-172.2	178.4	176	0	109.5	I207	K205-I207 PolarHBondContact O-N 3.21Å
206	S	33.4	Very low	49.2	Very low	120 Å²	120	107.4 Å²	107.4	84%	0.839	58%	0.581	S	S	*	*			trans	-74.3	86.3	-176.4	58.8	0	0	0	0	112.1
207	I	46.2	Very low	51	Low	129 Å²	129	101.3 Å²	101.3	66%	0.662	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-81.6	132	169.3	-61.6	175.9	0	0	0	108.5	L194 K205	L194-I207 HydrophobicContact CD1-CD1 3.21Å; K205-I207 PolarHBondContact O-N 3.21Å
208	I	55.4	Low	53.2	Low	51 Å²	51	93.4 Å²	93.4	26%	0.262	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-85.7	133.5	-168.6	-51.6	175.1	0	0	0	109.2	D212 L213 T315	I208-D212 HydrophobicContact CG2-CB 3.48Å; I208-D212 VanDerWaalsContact CG2-CB 3.48Å; I208-L213 HydrophobicContact CB-CD2 4.14Å; I208-L213 HydrophobicContact CB-CG 4.26Å; I208-L213 HydrophobicContact CD1-CD2 4.3Å; I208-L213 HydrophobicContact CG2-CD2 3.8Å; I208-L213 HydrophobicContact CG2-CG 3.83Å; I208-T315 HydrophobicContact CD1-CG2 3.6Å; I208-T315 WeakPolarHBondContact CD1-OG1 3.33Å
209	S	56.5	Low	55.3	Low	48 Å²	48	89.3 Å²	89.3	34%	0.336	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-63.6	147.2	178	-176.8	0	0	0	0	111.3	L211 D212 L213	S209-L211 PolarHBondContact O-N 2.23Å; S209-L211 PolarHBondContact OG-N 3.37Å; S209-D212 WeakPolarHBondContact CB-OD2 2.97Å; S209-D212 PolarHBondContact N-OD2 3.31Å; S209-D212 WeakPolarHBondContact O-CA 3.44Å; S209-D212 WeakPolarHBondContact O-CB 3.42Å; S209-D212 PolarHBondContact O-N 2.96Å; S209-L213 PolarHBondContact O-N 2.7Å
210	P	57.9	Low	57.6	Low	89 Å²	89	84.9 Å²	84.9	58%	0.578	46%	0.464	S	S	*	.	H	α-helix	trans	-54.6	-33.5	170.8	-27	35.8	0	0	0	113.3	R214	P210-R214 PolarHBondContact O-N 3.13Å; P210-R214 VanDerWaalsContact O-N 3.13Å
211	L	63	Low	60	Low	100 Å²	100	78.6 Å²	78.6	52%	0.524	43%	0.43	S	S	.	.	H	α-helix	trans	-69.3	-39.6	173.5	-67.7	173.3	0	0	0	112.1	S209 R214 V215	S209-L211 PolarHBondContact O-N 2.23Å; S209-L211 PolarHBondContact OG-N 3.37Å; L211-R214 PolarHBondContact O-N 3Å; L211-V215 WeakPolarHBondContact O-CG2 3.49Å; L211-V215 PolarHBondContact O-N 2.84Å
212	D	66	Low	62.1	Low	27 Å²	27	71.6 Å²	71.6	14%	0.144	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-41.9	176.2	-72.2	-38.2	0	0	0	111	I208 S209 V215 E216 H282 R284	I208-D212 HydrophobicContact CG2-CB 3.48Å; I208-D212 VanDerWaalsContact CG2-CB 3.48Å; S209-D212 WeakPolarHBondContact CB-OD2 2.97Å; S209-D212 PolarHBondContact N-OD2 3.31Å; S209-D212 WeakPolarHBondContact O-CA 3.44Å; S209-D212 WeakPolarHBondContact O-CB 3.42Å; S209-D212 PolarHBondContact O-N 2.96Å; D212-V215 PolarHBondContact O-N 3.46Å; D212-E216 WeakPolarHBondContact O-CB 3.4Å; D212-E216 PolarHBondContact O-N 3.25Å; D212-H282 IonicContact OD1-CE1 2.79Å; D212-H282 PolarHBondContact OD1-CE1 3.5Å; D212-R284 PolarHBondContact O-NH1 3.46Å; D212-R284 WeakPolarHBondContact OD1-CD 3.42Å; D212-R284 IonicContact OD1-NE 2.69Å; D212-R284 PolarHBondContact OD1-NE 3.47Å
213	L	68.8	Low	64.5	Low	80 Å²	80	65 Å²	65	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-44.9	175.5	-71.1	174.6	0	0	0	112	I208 S209 E216 E217	I208-L213 HydrophobicContact CB-CD2 4.14Å; I208-L213 HydrophobicContact CB-CG 4.26Å; I208-L213 HydrophobicContact CD1-CD2 4.3Å; I208-L213 HydrophobicContact CG2-CD2 3.8Å; I208-L213 HydrophobicContact CG2-CG 3.83Å; S209-L213 PolarHBondContact O-N 2.7Å; L213-E216 WeakPolarHBondContact O-CB 3.4Å; L213-E216 PolarHBondContact O-N 3.07Å; L213-E217 PolarHBondContact O-N 3.05Å
214	R	74.3	Confident	66.7	Low	47 Å²	47	63 Å²	63	18%	0.177	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-39.2	178	-171.5	169.7	177	-173.9	-7.2	112.2	P210 L211 E216 E217 L218 E462	P210-R214 PolarHBondContact O-N 3.13Å; P210-R214 VanDerWaalsContact O-N 3.13Å; L211-R214 PolarHBondContact O-N 3Å; R214-E216 VanDerWaalsContact C-N 3.31Å; R214-E216 PolarHBondContact O-N 2.78Å; R214-E217 PolarHBondContact O-N 3.36Å; R214-L218 WeakPolarHBondContact O-CB 3.36Å; R214-L218 WeakPolarHBondContact O-CG 3.45Å; R214-L218 PolarHBondContact O-N 2.84Å; R214-E462 IonicContact CZ-OE1 3.22Å; R214-E462 IonicContact NE-OE1 2.81Å; R214-E462 PolarHBondContact NE-OE1 2.89Å; R214-E462 IonicContact NH2-OE1 3.66Å; R214-E462 PolarHBondContact NH2-OE1 2.72Å; R214-E462 IonicContact NH2-OE2 2.8Å
215	V	77.3	Confident	69.3	Low	12 Å²	12	55.7 Å²	55.7	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-39.8	170.6	165	0	0	0	0	111.4	L211 D212 L218 C219 R274 I288	L211-V215 WeakPolarHBondContact O-CG2 3.49Å; L211-V215 PolarHBondContact O-N 2.84Å; D212-V215 PolarHBondContact O-N 3.46Å; V215-L218 PolarHBondContact O-N 2.76Å; V215-C219 PolarHBondContact O-N 3.27Å; V215-C219 PolarHBondContact O-SG 3.48Å; V215-R274 HydrophobicContact CG2-CB 4.28Å; V215-I288 HydrophobicContact CG1-CD1 3.8Å; V215-I288 HydrophobicContact CG1-CG1 3.73Å; V215-I288 HydrophobicContact CG2-CD1 4.14Å
216	E	75.6	Confident	71.9	Confident	15 Å²	15	48.4 Å²	48.4	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-39.5	179.9	-149.8	168.3	118.8	0	0	112.6	D212 L213 R214 C219 H220 R284 T315 V316	D212-E216 WeakPolarHBondContact O-CB 3.4Å; D212-E216 PolarHBondContact O-N 3.25Å; L213-E216 WeakPolarHBondContact O-CB 3.4Å; L213-E216 PolarHBondContact O-N 3.07Å; R214-E216 VanDerWaalsContact C-N 3.31Å; R214-E216 PolarHBondContact O-N 2.78Å; E216-C219 PolarHBondContact O-N 3.35Å; E216-H220 WeakPolarHBondContact O-CB 3.34Å; E216-H220 PolarHBondContact O-N 2.93Å; E216-R284 IonicContact OE2-CZ 3.47Å; E216-R284 VanDerWaalsContact OE2-CZ 3.23Å; E216-R284 IonicContact OE2-NH1 2.64Å; E216-R284 PolarHBondContact OE2-NH1 2.86Å; E216-R284 IonicContact OE2-NH2 3.46Å; E216-R284 PolarHBondContact OE2-NH2 3.19Å; E216-T315 WeakPolarHBondContact OE1-CA 3.48Å; E216-T315 WeakPolarHBondContact OE1-CB 3.42Å; E216-T315 PolarHBondContact OE1-N 3.19Å; E216-T315 PolarHBondContact OE1-OG1 3.09Å; E216-T315 PolarHBondContact OE2-OG1 3.42Å; E216-V316 HydrophobicContact CB-CG2 4.38Å; E216-V316 HydrophobicContact CG-CG2 4.22Å; E216-V316 PolarHBondContact OE1-N 3.16Å
217	E	78.9	Confident	74.2	Confident	47 Å²	47	45.9 Å²	45.9	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-45.1	174.2	-173.3	158.7	-109.8	0	0	111.7	L213 R214 C219 H220 H221 R445	L213-E217 PolarHBondContact O-N 3.05Å; R214-E217 PolarHBondContact O-N 3.36Å; E217-C219 PolarHBondContact O-N 3.2Å; E217-H220 WeakPolarHBondContact O-CB 3.46Å; E217-H220 PolarHBondContact O-N 2.87Å; E217-H220 VanDerWaalsContact O-N 3.08Å; E217-H221 PolarHBondContact O-N 2.87Å; E217-H221 PolarHBondContact O-ND1 3.29Å; E217-R445 IonicContact OE1-CZ 2.89Å; E217-R445 VanDerWaalsContact OE1-CZ 3.23Å; E217-R445 IonicContact OE1-NE 2.69Å; E217-R445 PolarHBondContact OE1-NE 3.4Å; E217-R445 IonicContact OE1-NH2 2.76Å; E217-R445 PolarHBondContact OE1-NH2 3.37Å
218	L	83.6	Confident	76	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-46.2	173.1	-75.5	168.4	0	0	0	112.4	R214 V215 H220 A222 L267 S270 L271 R274 E462	R214-L218 WeakPolarHBondContact O-CB 3.36Å; R214-L218 WeakPolarHBondContact O-CG 3.45Å; R214-L218 PolarHBondContact O-N 2.84Å; V215-L218 PolarHBondContact O-N 2.76Å; L218-H220 VanDerWaalsContact C-N 3.33Å; L218-H220 PolarHBondContact O-N 2.93Å; L218-A222 WeakPolarHBondContact O-CB 3.06Å; L218-A222 PolarHBondContact O-N 3.21Å; L218-L267 HydrophobicContact CD2-CD2 3.8Å; L218-S270 VanDerWaalsContact CD1-OG 3.3Å; L218-S270 WeakPolarHBondContact CD1-OG 3.5Å; L218-L271 HydrophobicContact CB-CD2 3.69Å; L218-L271 HydrophobicContact CB-CG 4.1Å; L218-L271 HydrophobicContact CD1-CD2 4.35Å; L218-R274 HydrophobicContact CD1-CG 4.06Å; L218-E462 HydrophobicContact CD2-CB 4.35Å; L218-E462 HydrophobicContact CD2-CG 3.86Å
219	C	81.9	Confident	77.5	Confident	12 Å²	12	40.1 Å²	40.1	8%	0.081	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-39	174.3	-69.7	0	0	0	0	112	V215 E216 E217 R223	V215-C219 PolarHBondContact O-N 3.27Å; V215-C219 PolarHBondContact O-SG 3.48Å; E216-C219 PolarHBondContact O-N 3.35Å; E217-C219 PolarHBondContact O-N 3.2Å; C219-R223 WeakPolarHBondContact O-CD 3.38Å; C219-R223 VanDerWaalsContact O-CG 3.22Å; C219-R223 WeakPolarHBondContact O-CG 3.42Å; C219-R223 PolarHBondContact O-N 3.23Å
220	H	81.8	Confident	78.8	Confident	60 Å²	60	41.8 Å²	41.8	28%	0.278	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-53.9	178.3	-175.7	79.2	0	0	0	112.1	E216 E217 L218 A222 R223 I224	E216-H220 WeakPolarHBondContact O-CB 3.34Å; E216-H220 PolarHBondContact O-N 2.93Å; E217-H220 WeakPolarHBondContact O-CB 3.46Å; E217-H220 PolarHBondContact O-N 2.87Å; E217-H220 VanDerWaalsContact O-N 3.08Å; L218-H220 VanDerWaalsContact C-N 3.33Å; L218-H220 PolarHBondContact O-N 2.93Å; H220-A222 VanDerWaalsContact C-N 3.35Å; H220-A222 PolarHBondContact O-N 2.89Å; H220-R223 PolarHBondContact O-N 3.34Å; H220-I224 WeakPolarHBondContact NE2-CD1 3.12Å; H220-I224 WeakPolarHBondContact O-CG1 3.13Å; H220-I224 PolarHBondContact O-N 2.69Å; H220-I224 VanDerWaalsContact O-N 3.13Å
221	H	84.3	Confident	79.9	Confident	9 Å²	9	39.2 Å²	39.2	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-35.9	178.6	-65.9	120	0	0	0	112.1	E217 R223 I224 E225 L267 E425 F443	E217-H221 PolarHBondContact O-N 2.87Å; E217-H221 PolarHBondContact O-ND1 3.29Å; H221-R223 PolarHBondContact O-N 2.69Å; H221-I224 PolarHBondContact O-N 3.34Å; H221-E225 PolarHBondContact O-N 2.92Å; H221-L267 HydrophobicContact CB-CD1 4.1Å; H221-E425 IonicContact CE1-OE2 2.66Å; H221-E425 IonicContact NE2-OE1 3.37Å; H221-E425 PolarHBondContact NE2-OE1 3.15Å; H221-E425 IonicContact NE2-OE2 2.66Å; H221-E425 PolarHBondContact NE2-OE2 3.41Å; H221-F443 HydrophobicContact CB-CD2 4.43Å; H221-F443 HydrophobicContact CB-CE2 3.99Å; H221-F443 HydrophobicContact CB-CZ 4.32Å; H221-F443 AromaticContact CD2-CD1 3.93Å; H221-F443 AromaticContact CD2-CD2 3.95Å; H221-F443 AromaticContact CD2-CG 3.89Å; H221-F443 AromaticContact CE1-CD2 3.55Å; H221-F443 AromaticContact CE1-CG 3.5Å; H221-F443 AromaticContact CG-CD2 3.75Å; H221-F443 AromaticContact CG-CE2 3.76Å; H221-F443 AromaticContact ND1-CD2 3.49Å; H221-F443 WeakPolarHBondContact ND1-CD2 3.37Å; H221-F443 AromaticContact ND1-CE2 3.94Å; H221-F443 AromaticContact ND1-CG 3.93Å; H221-F443 AromaticContact NE2-CD1 3.74Å; H221-F443 AromaticContact NE2-CD2 3.84Å; H221-F443 AromaticContact NE2-CG 3.47Å; H221-F443 WeakPolarHBondContact NE2-CG 3.33Å
222	A	84.5	Confident	80.9	Confident	1 Å²	1	35 Å²	35	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-40.2	175.6	0	0	0	0	0	112.5	L218 H220 S226 L264 L267 L271 L295	L218-A222 WeakPolarHBondContact O-CB 3.06Å; L218-A222 PolarHBondContact O-N 3.21Å; H220-A222 VanDerWaalsContact C-N 3.35Å; H220-A222 PolarHBondContact O-N 2.89Å; A222-S226 WeakPolarHBondContact O-CB 3.46Å; A222-S226 PolarHBondContact O-N 2.98Å; A222-L264 VanDerWaalsContact O-CD2 3.29Å; A222-L264 WeakPolarHBondContact O-CD2 3.33Å; A222-L267 HydrophobicContact CB-CB 4.21Å; A222-L267 HydrophobicContact CB-CD1 4.4Å; A222-L271 HydrophobicContact CB-CD1 4.34Å; A222-L295 HydrophobicContact CB-CD1 4.16Å
223	R	83.2	Confident	81.8	Confident	53 Å²	53	38.3 Å²	38.3	20%	0.2	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-39.8	174.5	-69.5	165.3	-176.1	175.2	2.3	112.2	C219 H220 H221 S226 A227 E291 Q310 N311	C219-R223 WeakPolarHBondContact O-CD 3.38Å; C219-R223 VanDerWaalsContact O-CG 3.22Å; C219-R223 WeakPolarHBondContact O-CG 3.42Å; C219-R223 PolarHBondContact O-N 3.23Å; H220-R223 PolarHBondContact O-N 3.34Å; H221-R223 PolarHBondContact O-N 2.69Å; R223-S226 PolarHBondContact O-N 3.37Å; R223-A227 PolarHBondContact O-N 2.89Å; R223-A227 VanDerWaalsContact O-N 3.11Å; R223-E291 IonicContact CZ-OE1 2.65Å; R223-E291 IonicContact CZ-OE2 3.24Å; R223-E291 IonicContact NE-OE1 2.65Å; R223-E291 PolarHBondContact NE-OE1 2.76Å; R223-E291 IonicContact NE-OE2 2.71Å; R223-E291 PolarHBondContact NE-OE2 3.02Å; R223-E291 IonicContact NH2-OE1 3.36Å; R223-E291 PolarHBondContact NH2-OE1 2.92Å; R223-E291 IonicContact NH2-OE2 3.39Å; R223-Q310 PolarHBondContact NH1-O 2.73Å; R223-Q310 PolarHBondContact NH2-O 3.48Å; R223-N311 PolarHBondContact NH1-OD1 2.84Å
224	I	83.9	Confident	82.5	Confident	66 Å²	66	37.7 Å²	37.7	34%	0.338	21%	0.208	S	C	.	.	H	α-helix	trans	-60.8	-53.5	176.1	-70.9	171	0	0	0	110.2	H220 H221 S226 A227 V228	H220-I224 WeakPolarHBondContact NE2-CD1 3.12Å; H220-I224 WeakPolarHBondContact O-CG1 3.13Å; H220-I224 PolarHBondContact O-N 2.69Å; H220-I224 VanDerWaalsContact O-N 3.13Å; H221-I224 PolarHBondContact O-N 3.34Å; I224-S226 VanDerWaalsContact C-N 3.28Å; I224-S226 PolarHBondContact O-N 3.24Å; I224-A227 PolarHBondContact O-N 2.88Å; I224-A227 VanDerWaalsContact O-N 3.12Å; I224-V228 HydrophobicContact CG2-CG2 4.41Å; I224-V228 WeakPolarHBondContact O-CG2 3.33Å; I224-V228 PolarHBondContact O-N 3.31Å
225	E	88.1	Confident	82.9	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.028	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-33	-179.5	-67.4	-66.3	172.2	0	0	111.5	H221 A227 V228 A229 S260 K263 L264 L267	H221-E225 PolarHBondContact O-N 2.92Å; E225-A227 VanDerWaalsContact C-N 3.32Å; E225-A227 PolarHBondContact O-N 3.12Å; E225-V228 PolarHBondContact O-N 2.97Å; E225-A229 WeakPolarHBondContact O-CB 3.44Å; E225-A229 PolarHBondContact O-N 3.18Å; E225-S260 PolarHBondContact O-OG 3.12Å; E225-S260 WeakPolarHBondContact OE2-CA 2.88Å; E225-S260 WeakPolarHBondContact OE2-CB 3.32Å; E225-S260 PolarHBondContact OE2-OG 3.24Å; E225-K263 HydrophobicContact CG-CB 4.13Å; E225-K263 HydrophobicContact CG-CD 3.99Å; E225-K263 WeakPolarHBondContact OE1-CD 3.28Å; E225-K263 WeakPolarHBondContact OE1-CE 3.1Å; E225-K263 IonicContact OE1-NZ 2.68Å; E225-K263 PolarHBondContact OE1-NZ 2.81Å; E225-L264 HydrophobicContact CB-CD2 3.92Å; E225-L264 HydrophobicContact CB-CG 3.84Å; E225-L267 HydrophobicContact CG-CD1 4.41Å
226	S	85.4	Confident	83.2	Confident	39 Å²	39	39.5 Å²	39.5	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-41.9	173.4	-167.7	0	0	0	0	111.7	A222 R223 I224 E230	A222-S226 WeakPolarHBondContact O-CB 3.46Å; A222-S226 PolarHBondContact O-N 2.98Å; R223-S226 PolarHBondContact O-N 3.37Å; I224-S226 VanDerWaalsContact C-N 3.28Å; I224-S226 PolarHBondContact O-N 3.24Å; S226-E230 WeakPolarHBondContact O-CG 3.03Å; S226-E230 PolarHBondContact O-N 2.68Å
227	A	81.9	Confident	83.5	Confident	66 Å²	66	45.6 Å²	45.6	55%	0.545	25%	0.248	S	C	.	.	H	α-helix	trans	-69.7	-38	176	0	0	0	0	0	112.8	R223 I224 E225 G231	R223-A227 PolarHBondContact O-N 2.89Å; R223-A227 VanDerWaalsContact O-N 3.11Å; I224-A227 PolarHBondContact O-N 2.88Å; I224-A227 VanDerWaalsContact O-N 3.12Å; E225-A227 VanDerWaalsContact C-N 3.32Å; E225-A227 PolarHBondContact O-N 3.12Å; A227-G231 PolarHBondContact O-N 3.34Å
228	V	84.3	Confident	83.5	Confident	51 Å²	51	49.9 Å²	49.9	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-45.1	175.8	172.7	0	0	0	0	110.9	I224 E225 G231 A232	I224-V228 HydrophobicContact CG2-CG2 4.41Å; I224-V228 WeakPolarHBondContact O-CG2 3.33Å; I224-V228 PolarHBondContact O-N 3.31Å; E225-V228 PolarHBondContact O-N 2.97Å; V228-G231 PolarHBondContact O-N 2.99Å; V228-A232 VanDerWaalsContact O-CB 3.28Å; V228-A232 WeakPolarHBondContact O-CB 3.01Å; V228-A232 PolarHBondContact O-N 3.22Å
229	A	86.1	Confident	83.3	Confident	9 Å²	9	51.5 Å²	51.5	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-46.5	175.9	0	0	0	0	0	112	E225 K233 F257 S260 L264	E225-A229 WeakPolarHBondContact O-CB 3.44Å; E225-A229 PolarHBondContact O-N 3.18Å; A229-K233 WeakPolarHBondContact O-CB 3.39Å; A229-K233 PolarHBondContact O-N 2.76Å; A229-F257 HydrophobicContact CB-CD2 4.34Å; A229-F257 HydrophobicContact CB-CE2 4.48Å; A229-F257 WeakPolarHBondContact O-CD2 3.39Å; A229-S260 PolarHBondContact N-OG 3.05Å; A229-L264 HydrophobicContact CB-CD1 3.89Å
230	E	83.5	Confident	82.4	Confident	82 Å²	82	53.6 Å²	53.6	38%	0.383	31%	0.305	S	S	.	.	H	α-helix	trans	-62.8	-44.2	175.6	-75.5	-129.9	115.4	0	0	112.5	S226 K233 N234	S226-E230 WeakPolarHBondContact O-CG 3.03Å; S226-E230 PolarHBondContact O-N 2.68Å; E230-K233 PolarHBondContact O-N 3.36Å; E230-N234 WeakPolarHBondContact O-CB 3.44Å; E230-N234 VanDerWaalsContact O-CG 3.28Å; E230-N234 PolarHBondContact O-N 2.91Å; E230-N234 PolarHBondContact O-ND2 3.15Å; E230-N234 VanDerWaalsContact O-ND2 3.15Å
231	G	82.4	Confident	81.3	Confident	35 Å²	35	56.2 Å²	56.2	36%	0.361	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-52.5	176	0	0	0	0	0	111.8	A227 V228 K233 N234 V235	A227-G231 PolarHBondContact O-N 3.34Å; V228-G231 PolarHBondContact O-N 2.99Å; G231-K233 PolarHBondContact O-N 3.18Å; G231-N234 PolarHBondContact O-N 2.94Å; G231-N234 VanDerWaalsContact O-N 3.13Å; G231-V235 WeakPolarHBondContact O-CG2 3.33Å; G231-V235 PolarHBondContact O-N 3.21Å
232	A	83.8	Confident	80	Confident	11 Å²	11	58 Å²	58	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-42.6	178	0	0	0	0	0	112.5	V228 N234 V235 M236 R256 F257	V228-A232 VanDerWaalsContact O-CB 3.28Å; V228-A232 WeakPolarHBondContact O-CB 3.01Å; V228-A232 PolarHBondContact O-N 3.22Å; A232-N234 VanDerWaalsContact C-N 3.31Å; A232-N234 PolarHBondContact O-N 3.21Å; A232-V235 PolarHBondContact O-N 3.3Å; A232-M236 VanDerWaalsContact O-CG 3.31Å; A232-M236 WeakPolarHBondContact O-CG 3.43Å; A232-M236 PolarHBondContact O-N 3.13Å; A232-R256 HydrophobicContact CB-CB 4.16Å; A232-F257 HydrophobicContact CB-CB 3.8Å
233	K	84.8	Confident	78.7	Confident	97 Å²	97	65.8 Å²	65.8	42%	0.422	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-34.8	175.4	-172.7	-179.9	-173	178.4	0	112.6	A229 E230 G231 K237 F257	A229-K233 WeakPolarHBondContact O-CB 3.39Å; A229-K233 PolarHBondContact O-N 2.76Å; E230-K233 PolarHBondContact O-N 3.36Å; G231-K233 PolarHBondContact O-N 3.18Å; K233-K237 WeakPolarHBondContact O-CG 3.49Å; K233-K237 PolarHBondContact O-N 3.24Å; K233-F257 HydrophobicContact CB-CD2 3.84Å; K233-F257 HydrophobicContact CB-CE2 3.95Å; K233-F257 HydrophobicContact CD-CE2 3.98Å; K233-F257 HydrophobicContact CD-CZ 4.5Å; K233-F257 HydrophobicContact CG-CE2 4.19Å
234	N	83.5	Confident	77.4	Confident	68 Å²	68	69.5 Å²	69.5	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-76.4	-38.2	175.6	-70.2	-32	0	0	0	112.1	E230 G231 A232 M236 K237 L238	E230-N234 WeakPolarHBondContact O-CB 3.44Å; E230-N234 VanDerWaalsContact O-CG 3.28Å; E230-N234 PolarHBondContact O-N 2.91Å; E230-N234 PolarHBondContact O-ND2 3.15Å; E230-N234 VanDerWaalsContact O-ND2 3.15Å; G231-N234 PolarHBondContact O-N 2.94Å; G231-N234 VanDerWaalsContact O-N 3.13Å; A232-N234 VanDerWaalsContact C-N 3.31Å; A232-N234 PolarHBondContact O-N 3.21Å; N234-M236 VanDerWaalsContact C-N 3.34Å; N234-M236 PolarHBondContact O-N 3.4Å; N234-K237 PolarHBondContact O-N 2.92Å; N234-K237 PolarHBondContact OD1-NZ 3.24Å; N234-L238 WeakPolarHBondContact O-CG 3.2Å; N234-L238 PolarHBondContact O-N 3.39Å; N234-L238 VanDerWaalsContact O-N 3.11Å
235	V	82.8	Confident	76	Confident	65 Å²	65	71.8 Å²	71.8	39%	0.394	43%	0.43	S	S	.	.	H	α-helix	trans	-61	-41.2	170.5	174.7	0	0	0	0	111.5	G231 A232 K237 L238 L239 A253	G231-V235 WeakPolarHBondContact O-CG2 3.33Å; G231-V235 PolarHBondContact O-N 3.21Å; A232-V235 PolarHBondContact O-N 3.3Å; V235-K237 PolarHBondContact O-N 3.38Å; V235-L238 PolarHBondContact O-N 2.84Å; V235-L239 HydrophobicContact CG1-CD1 3.58Å; V235-L239 HydrophobicContact CG1-CG 4.13Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 2.9Å; V235-A253 HydrophobicContact CB-CB 4.15Å; V235-A253 HydrophobicContact CG1-CB 3.77Å
236	M	82.9	Confident	74.8	Confident	32 Å²	32	74.4 Å²	74.4	16%	0.158	44%	0.442	C	S	.	.	H	α-helix	trans	-59.3	-42.2	174.4	-72.5	165.1	55.4	0	0	112.7	A232 N234 L238 L239 G240 A253 Q254 F257	A232-M236 VanDerWaalsContact O-CG 3.31Å; A232-M236 WeakPolarHBondContact O-CG 3.43Å; A232-M236 PolarHBondContact O-N 3.13Å; N234-M236 VanDerWaalsContact C-N 3.34Å; N234-M236 PolarHBondContact O-N 3.4Å; M236-L238 VanDerWaalsContact C-N 3.34Å; M236-L238 PolarHBondContact O-N 3.49Å; M236-L239 PolarHBondContact O-N 3.34Å; M236-G240 PolarHBondContact O-N 3.3Å; M236-A253 HydrophobicContact CG-CB 3.84Å; M236-Q254 HydrophobicContact SD-CB 4.32Å; M236-F257 HydrophobicContact CE-CD1 4.4Å; M236-F257 HydrophobicContact SD-CB 3.69Å; M236-F257 HydrophobicContact SD-CD1 4.15Å; M236-F257 HydrophobicContact SD-CG 3.97Å
237	K	82.2	Confident	74.2	Confident	142 Å²	142	80.4 Å²	80.4	62%	0.617	46%	0.463	S	S	*	.	H	α-helix	trans	-61.4	-42	174.8	-67.4	168	-168.9	164	0	111.9	K233 N234 V235	K233-K237 WeakPolarHBondContact O-CG 3.49Å; K233-K237 PolarHBondContact O-N 3.24Å; N234-K237 PolarHBondContact O-N 2.92Å; N234-K237 PolarHBondContact OD1-NZ 3.24Å; V235-K237 PolarHBondContact O-N 3.38Å
238	L	79.6	Confident	74	Confident	138 Å²	138	84.7 Å²	84.7	72%	0.723	47%	0.469	S	S	*	.	H	α-helix	trans	-69.5	-33.8	-178.5	-72	164.3	0	0	0	112.9	N234 V235 M236	N234-L238 WeakPolarHBondContact O-CG 3.2Å; N234-L238 PolarHBondContact O-N 3.39Å; N234-L238 VanDerWaalsContact O-N 3.11Å; V235-L238 PolarHBondContact O-N 2.84Å; M236-L238 VanDerWaalsContact C-N 3.34Å; M236-L238 PolarHBondContact O-N 3.49Å
239	L	78.7	Confident	73.6	Confident	39 Å²	39	84.3 Å²	84.3	20%	0.204	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	7.5	-178.5	-63	177.5	0	0	0	114.2	V235 M236 S241 E246 A249 H250	V235-L239 HydrophobicContact CG1-CD1 3.58Å; V235-L239 HydrophobicContact CG1-CG 4.13Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 2.9Å; M236-L239 PolarHBondContact O-N 3.34Å; L239-S241 PolarHBondContact O-N 2.79Å; L239-S241 VanDerWaalsContact O-N 3.14Å; L239-E246 HydrophobicContact CD2-CB 4.31Å; L239-E246 HydrophobicContact CD2-CG 4.39Å; L239-A249 HydrophobicContact CD1-CB 3.59Å; L239-H250 HydrophobicContact CB-CB 4.06Å; L239-H250 HydrophobicContact CD1-CB 4.29Å
240	G	62.6	Low	73.4	Confident	57 Å²	57	86.6 Å²	86.6	59%	0.588	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-1.5	-172.3	0	0	0	0	0	116.4	M236	M236-G240 PolarHBondContact O-N 3.3Å
241	S	58.8	Low	73.2	Confident	115 Å²	115	86.4 Å²	86.4	80%	0.804	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	6.8	-162.1	57.7	0	0	0	0	117.4	L239	L239-S241 PolarHBondContact O-N 2.79Å; L239-S241 VanDerWaalsContact O-N 3.14Å
242	G	56.8	Low	73.3	Confident	47 Å²	47	88.7 Å²	88.7	49%	0.485	49%	0.49	S	S	.	.			trans	-132.6	-153	-171.6	0	0	0	0	0	118	E246	G242-E246 WeakPolarHBondContact CA-OE2 3.38Å
243	K	57.5	Low	73.3	Confident	164 Å²	164	88.5 Å²	88.5	71%	0.713	49%	0.488	S	S	*	.			trans	-86.9	176	-154.7	-66.1	178.6	-177.7	172.7	0	113.8	T245 E246 K247	K243-T245 PolarHBondContact O-N 2.61Å; K243-T245 VanDerWaalsContact O-N 3.08Å; K243-E246 VanDerWaalsContact N-CD 3.29Å; K243-E246 PolarHBondContact N-OE1 3.35Å; K243-E246 WeakPolarHBondContact O-CB 3.3Å; K243-E246 PolarHBondContact O-N 2.85Å; K243-K247 PolarHBondContact O-N 3.37Å
244	V	55.8	Low	73.3	Confident	131 Å²	131	87.3 Å²	87.3	79%	0.794	48%	0.484	S	S	*	.	H	α-helix	trans	-55	-31.8	-172.4	-179.6	0	0	0	0	113.8	K247	V244-K247 WeakPolarHBondContact O-CB 3.44Å; V244-K247 PolarHBondContact O-N 2.84Å
245	T	55.4	Low	73.4	Confident	114 Å²	114	86.8 Å²	86.8	70%	0.699	49%	0.489	S	S	*	.	H	α-helix	trans	-67	-44.2	174.3	40	0	0	0	0	112.5	K243 K247 K248	K243-T245 PolarHBondContact O-N 2.61Å; K243-T245 VanDerWaalsContact O-N 3.08Å; T245-K247 PolarHBondContact O-N 3.03Å; T245-K248 PolarHBondContact O-N 2.76Å; T245-K248 VanDerWaalsContact O-N 3.13Å
246	E	62.8	Low	73.5	Confident	61 Å²	61	90 Å²	90	29%	0.285	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-29.9	177	-61.8	160.2	-114.7	0	0	111.2	L239 G242 K243 K248 A249 H250	L239-E246 HydrophobicContact CD2-CB 4.31Å; L239-E246 HydrophobicContact CD2-CG 4.39Å; G242-E246 WeakPolarHBondContact CA-OE2 3.38Å; K243-E246 VanDerWaalsContact N-CD 3.29Å; K243-E246 PolarHBondContact N-OE1 3.35Å; K243-E246 WeakPolarHBondContact O-CB 3.3Å; K243-E246 PolarHBondContact O-N 2.85Å; E246-K248 VanDerWaalsContact C-N 3.25Å; E246-K248 PolarHBondContact O-N 3.18Å; E246-A249 PolarHBondContact O-N 3.33Å; E246-A249 VanDerWaalsContact O-N 3.12Å; E246-H250 WeakPolarHBondContact O-CB 3.37Å; E246-H250 PolarHBondContact O-N 2.92Å
247	K	72.4	Confident	73.7	Confident	164 Å²	164	90.9 Å²	90.9	71%	0.713	50%	0.497	S	S	*	.	H	α-helix	trans	-60.2	-30.5	174.8	-165.1	173.7	-175.7	172.5	0	113.5	K243 V244 T245 S251	K243-K247 PolarHBondContact O-N 3.37Å; V244-K247 WeakPolarHBondContact O-CB 3.44Å; V244-K247 PolarHBondContact O-N 2.84Å; T245-K247 PolarHBondContact O-N 3.03Å; K247-S251 WeakPolarHBondContact O-CB 3.48Å; K247-S251 PolarHBondContact O-N 3.33Å; K247-S251 VanDerWaalsContact O-N 3.09Å
248	K	76.7	Confident	73.9	Confident	156 Å²	156	85.9 Å²	85.9	68%	0.678	48%	0.479	S	S	*	.	H	α-helix	trans	-69.2	-50.1	171.9	-174.8	-172.1	171.1	-167.7	0	110.3	T245 E246 H250 S251 E252	T245-K248 PolarHBondContact O-N 2.76Å; T245-K248 VanDerWaalsContact O-N 3.13Å; E246-K248 VanDerWaalsContact C-N 3.25Å; E246-K248 PolarHBondContact O-N 3.18Å; K248-H250 VanDerWaalsContact C-N 3.33Å; K248-H250 PolarHBondContact O-N 3.26Å; K248-S251 WeakPolarHBondContact O-CB 3.39Å; K248-S251 PolarHBondContact O-N 2.97Å; K248-E252 PolarHBondContact O-N 3.01Å
249	A	76.3	Confident	74.3	Confident	43 Å²	43	81.6 Å²	81.6	36%	0.355	46%	0.455	S	S	.	.	H	α-helix	trans	-62	-38.5	180	0	0	0	0	0	112.3	L239 E246 E252 A253	L239-A249 HydrophobicContact CD1-CB 3.59Å; E246-A249 PolarHBondContact O-N 3.33Å; E246-A249 VanDerWaalsContact O-N 3.12Å; A249-E252 PolarHBondContact O-N 2.95Å; A249-A253 WeakPolarHBondContact O-CB 3.23Å; A249-A253 PolarHBondContact O-N 3.19Å
250	H	81.9	Confident	74.9	Confident	58 Å²	58	79.8 Å²	79.8	27%	0.269	45%	0.445	S	S	.	.	H	α-helix	trans	-65.1	-38.1	172.4	-172.8	-41.6	0	0	0	111.4	L239 E246 K248 E252 Q254	L239-H250 HydrophobicContact CB-CB 4.06Å; L239-H250 HydrophobicContact CD1-CB 4.29Å; E246-H250 WeakPolarHBondContact O-CB 3.37Å; E246-H250 PolarHBondContact O-N 2.92Å; K248-H250 VanDerWaalsContact C-N 3.33Å; K248-H250 PolarHBondContact O-N 3.26Å; H250-E252 VanDerWaalsContact C-N 3.33Å; H250-Q254 WeakPolarHBondContact O-CB 3.06Å; H250-Q254 PolarHBondContact O-N 3.07Å
251	S	80.8	Confident	76.1	Confident	78 Å²	78	78.9 Å²	78.9	55%	0.545	43%	0.43	S	S	.	.	H	α-helix	trans	-67.9	-33.6	175.2	-166.6	0	0	0	0	112.4	K247 K248 A255	K247-S251 WeakPolarHBondContact O-CB 3.48Å; K247-S251 PolarHBondContact O-N 3.33Å; K247-S251 VanDerWaalsContact O-N 3.09Å; K248-S251 WeakPolarHBondContact O-CB 3.39Å; K248-S251 PolarHBondContact O-N 2.97Å; S251-A255 WeakPolarHBondContact O-CB 3.39Å; S251-A255 PolarHBondContact O-N 3.24Å
252	E	82.7	Confident	77.6	Confident	83 Å²	83	74.2 Å²	74.2	39%	0.388	40%	0.395	S	S	.	.	H	α-helix	trans	-73	-43.2	176.3	-167.1	-177.8	133.9	0	0	111.5	K248 A249 H250 A255 R256	K248-E252 PolarHBondContact O-N 3.01Å; A249-E252 PolarHBondContact O-N 2.95Å; H250-E252 VanDerWaalsContact C-N 3.33Å; E252-A255 PolarHBondContact O-N 3.11Å; E252-R256 PolarHBondContact O-N 2.7Å; E252-R256 IonicContact OE1-CZ 2.66Å; E252-R256 IonicContact OE1-NH1 3.79Å; E252-R256 PolarHBondContact OE1-NH1 3.04Å; E252-R256 IonicContact OE1-NH2 2.68Å; E252-R256 PolarHBondContact OE1-NH2 3.3Å
253	A	84	Confident	79.2	Confident	6 Å²	6	72 Å²	72	5%	0.05	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-41.5	172.4	0	0	0	0	0	111.6	V235 M236 A249 A255 R256 F257	V235-A253 HydrophobicContact CB-CB 4.15Å; V235-A253 HydrophobicContact CG1-CB 3.77Å; M236-A253 HydrophobicContact CG-CB 3.84Å; A249-A253 WeakPolarHBondContact O-CB 3.23Å; A249-A253 PolarHBondContact O-N 3.19Å; A253-A255 VanDerWaalsContact C-N 3.31Å; A253-A255 PolarHBondContact O-N 2.86Å; A253-R256 PolarHBondContact O-N 2.97Å; A253-F257 VanDerWaalsContact O-CB 3.31Å; A253-F257 WeakPolarHBondContact O-CB 3.48Å; A253-F257 PolarHBondContact O-N 3.36Å
254	Q	86.1	Confident	80.7	Confident	73 Å²	73	64.4 Å²	64.4	34%	0.341	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-37.4	173.1	179.6	65.1	82.7	0	0	112.2	M236 H250 T258	M236-Q254 HydrophobicContact SD-CB 4.32Å; H250-Q254 WeakPolarHBondContact O-CB 3.06Å; H250-Q254 PolarHBondContact O-N 3.07Å; Q254-T258 PolarHBondContact NE2-OG1 2.78Å; Q254-T258 WeakPolarHBondContact O-CB 3.13Å; Q254-T258 PolarHBondContact O-N 2.97Å; Q254-T258 PolarHBondContact O-OG1 3.01Å
255	A	84.3	Confident	82.3	Confident	56 Å²	56	59.5 Å²	59.5	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-50	175.5	0	0	0	0	0	111.6	S251 E252 A253 F257 T258 E259	S251-A255 WeakPolarHBondContact O-CB 3.39Å; S251-A255 PolarHBondContact O-N 3.24Å; E252-A255 PolarHBondContact O-N 3.11Å; A253-A255 VanDerWaalsContact C-N 3.31Å; A253-A255 PolarHBondContact O-N 2.86Å; A255-F257 VanDerWaalsContact C-N 3.34Å; A255-F257 PolarHBondContact O-N 2.96Å; A255-T258 PolarHBondContact O-N 3.47Å; A255-E259 WeakPolarHBondContact O-CB 3.18Å; A255-E259 PolarHBondContact O-N 3.46Å
256	R	85	Confident	84	Confident	132 Å²	132	54.1 Å²	54.1	50%	0.498	28%	0.276	S	S	.	.	H	α-helix	trans	-59.2	-42.7	175.7	-72	-164.4	-176.2	93.6	10.1	112	A232 E252 A253 S260	A232-R256 HydrophobicContact CB-CB 4.16Å; E252-R256 PolarHBondContact O-N 2.7Å; E252-R256 IonicContact OE1-CZ 2.66Å; E252-R256 IonicContact OE1-NH1 3.79Å; E252-R256 PolarHBondContact OE1-NH1 3.04Å; E252-R256 IonicContact OE1-NH2 2.68Å; E252-R256 PolarHBondContact OE1-NH2 3.3Å; A253-R256 PolarHBondContact O-N 2.97Å; R256-S260 WeakPolarHBondContact O-CB 3.09Å; R256-S260 PolarHBondContact O-N 3.33Å
257	F	87.9	Confident	85.3	Confident	52 Å²	52	51.2 Å²	51.2	23%	0.228	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-48	176.3	175.8	-106.8	0	0	0	112	A229 A232 K233 M236 A253 A255 S261	A229-F257 HydrophobicContact CB-CD2 4.34Å; A229-F257 HydrophobicContact CB-CE2 4.48Å; A229-F257 WeakPolarHBondContact O-CD2 3.39Å; A232-F257 HydrophobicContact CB-CB 3.8Å; K233-F257 HydrophobicContact CB-CD2 3.84Å; K233-F257 HydrophobicContact CB-CE2 3.95Å; K233-F257 HydrophobicContact CD-CE2 3.98Å; K233-F257 HydrophobicContact CD-CZ 4.5Å; K233-F257 HydrophobicContact CG-CE2 4.19Å; M236-F257 HydrophobicContact CE-CD1 4.4Å; M236-F257 HydrophobicContact SD-CB 3.69Å; M236-F257 HydrophobicContact SD-CD1 4.15Å; M236-F257 HydrophobicContact SD-CG 3.97Å; A253-F257 VanDerWaalsContact O-CB 3.31Å; A253-F257 WeakPolarHBondContact O-CB 3.48Å; A253-F257 PolarHBondContact O-N 3.36Å; A255-F257 VanDerWaalsContact C-N 3.34Å; A255-F257 PolarHBondContact O-N 2.96Å; F257-S261 VanDerWaalsContact O-CB 3.25Å; F257-S261 WeakPolarHBondContact O-CB 3.05Å; F257-S261 PolarHBondContact O-N 3.12Å
258	T	86.8	Confident	86.1	Confident	37 Å²	37	46 Å²	46	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-50	178.9	-59.3	0	0	0	0	111.2	Q254 A255 S261 Q262	Q254-T258 PolarHBondContact NE2-OG1 2.78Å; Q254-T258 WeakPolarHBondContact O-CB 3.13Å; Q254-T258 PolarHBondContact O-N 2.97Å; Q254-T258 PolarHBondContact O-OG1 3.01Å; A255-T258 PolarHBondContact O-N 3.47Å; T258-S261 PolarHBondContact O-N 3.3Å; T258-Q262 WeakPolarHBondContact O-CG 3.46Å; T258-Q262 PolarHBondContact O-N 2.97Å
259	E	87.6	Confident	86.6	Confident	48 Å²	48	42.5 Å²	42.5	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-48.1	-178.7	-171.2	-160.3	115.1	0	0	112	A255 S261 Q262 K263 K393	A255-E259 WeakPolarHBondContact O-CB 3.18Å; A255-E259 PolarHBondContact O-N 3.46Å; E259-S261 VanDerWaalsContact C-N 3.34Å; E259-S261 PolarHBondContact O-N 3.49Å; E259-Q262 WeakPolarHBondContact O-CA 3.49Å; E259-Q262 WeakPolarHBondContact O-CB 3.31Å; E259-Q262 PolarHBondContact O-N 2.91Å; E259-K263 PolarHBondContact O-N 3.34Å; E259-K263 VanDerWaalsContact OE1-CE 3.27Å; E259-K263 WeakPolarHBondContact OE1-CE 3.27Å; E259-K263 IonicContact OE1-NZ 3.37Å; E259-K263 PolarHBondContact OE1-NZ 3.04Å; E259-K263 VanDerWaalsContact OE1-NZ 3.08Å; E259-K393 IonicContact OE1-NZ 3.73Å; E259-K393 PolarHBondContact OE1-NZ 3.48Å; E259-K393 IonicContact OE2-NZ 2.8Å; E259-K393 PolarHBondContact OE2-NZ 2.94Å
260	S	90.1	Very high	87.2	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-39.7	-179.4	-171.4	0	0	0	0	111.7	E225 A229 R256 Q262 K263 L264	E225-S260 PolarHBondContact O-OG 3.12Å; E225-S260 WeakPolarHBondContact OE2-CA 2.88Å; E225-S260 WeakPolarHBondContact OE2-CB 3.32Å; E225-S260 PolarHBondContact OE2-OG 3.24Å; A229-S260 PolarHBondContact N-OG 3.05Å; R256-S260 WeakPolarHBondContact O-CB 3.09Å; R256-S260 PolarHBondContact O-N 3.33Å; S260-Q262 PolarHBondContact O-N 3.01Å; S260-K263 PolarHBondContact O-N 3.06Å; S260-L264 WeakPolarHBondContact O-CG 3.48Å; S260-L264 PolarHBondContact O-N 2.97Å
261	S	89.4	Confident	87.4	Confident	38 Å²	38	37.7 Å²	37.7	27%	0.266	19%	0.192	S	C	.	.	H	α-helix	trans	-62.4	-39.7	169.2	-167.5	0	0	0	0	112.4	F257 T258 E259 L264 D265	F257-S261 VanDerWaalsContact O-CB 3.25Å; F257-S261 WeakPolarHBondContact O-CB 3.05Å; F257-S261 PolarHBondContact O-N 3.12Å; T258-S261 PolarHBondContact O-N 3.3Å; E259-S261 VanDerWaalsContact C-N 3.34Å; E259-S261 PolarHBondContact O-N 3.49Å; S261-L264 PolarHBondContact O-N 3.34Å; S261-D265 PolarHBondContact O-N 3.08Å
262	Q	89.9	Confident	87.7	Confident	16 Å²	16	38.7 Å²	38.7	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-39.3	177.3	-74.8	-167.6	-7.9	0	0	112.1	T258 E259 S260 R343 S349 S437 L438	T258-Q262 WeakPolarHBondContact O-CG 3.46Å; T258-Q262 PolarHBondContact O-N 2.97Å; E259-Q262 WeakPolarHBondContact O-CA 3.49Å; E259-Q262 WeakPolarHBondContact O-CB 3.31Å; E259-Q262 PolarHBondContact O-N 2.91Å; S260-Q262 PolarHBondContact O-N 3.01Å; Q262-R343 PolarHBondContact O-NH2 3.15Å; Q262-S349 PolarHBondContact NE2-OG 3.3Å; Q262-S437 PolarHBondContact OE1-OG 2.89Å; Q262-L438 HydrophobicContact CB-CB 4.24Å; Q262-L438 HydrophobicContact CB-CD2 3.98Å
263	K	90.8	Very high	87.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-43.2	173.4	-71.2	174.4	170.8	173.3	0	112.4	E225 E259 S260 D265 L266 L267 E427 L438 V441	E225-K263 HydrophobicContact CG-CB 4.13Å; E225-K263 HydrophobicContact CG-CD 3.99Å; E225-K263 WeakPolarHBondContact OE1-CD 3.28Å; E225-K263 WeakPolarHBondContact OE1-CE 3.1Å; E225-K263 IonicContact OE1-NZ 2.68Å; E225-K263 PolarHBondContact OE1-NZ 2.81Å; E259-K263 PolarHBondContact O-N 3.34Å; E259-K263 VanDerWaalsContact OE1-CE 3.27Å; E259-K263 WeakPolarHBondContact OE1-CE 3.27Å; E259-K263 IonicContact OE1-NZ 3.37Å; E259-K263 PolarHBondContact OE1-NZ 3.04Å; E259-K263 VanDerWaalsContact OE1-NZ 3.08Å; S260-K263 PolarHBondContact O-N 3.06Å; K263-D265 VanDerWaalsContact C-N 3.27Å; K263-D265 PolarHBondContact O-N 2.76Å; K263-L266 WeakPolarHBondContact O-CB 3.25Å; K263-L266 PolarHBondContact O-N 3.31Å; K263-L266 VanDerWaalsContact O-N 3.08Å; K263-L267 WeakPolarHBondContact O-CG 3.39Å; K263-L267 PolarHBondContact O-N 2.83Å; K263-E427 WeakPolarHBondContact CE-OE2 3.19Å; K263-E427 IonicContact NZ-OE1 2.66Å; K263-E427 IonicContact NZ-OE2 3.82Å; K263-E427 PolarHBondContact NZ-OE2 2.84Å; K263-L438 HydrophobicContact CB-CD2 4.39Å; K263-L438 HydrophobicContact CG-CD2 3.57Å; K263-V441 HydrophobicContact CG-CG1 4.41Å
264	L	88.8	Confident	87.7	Confident	6 Å²	6	39 Å²	39	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-57.8	-39.3	177.8	-77.3	164.6	0	0	0	112.8	A222 E225 A229 S260 S261 L266 L267 R268 L295	A222-L264 VanDerWaalsContact O-CD2 3.29Å; A222-L264 WeakPolarHBondContact O-CD2 3.33Å; E225-L264 HydrophobicContact CB-CD2 3.92Å; E225-L264 HydrophobicContact CB-CG 3.84Å; A229-L264 HydrophobicContact CB-CD1 3.89Å; S260-L264 WeakPolarHBondContact O-CG 3.48Å; S260-L264 PolarHBondContact O-N 2.97Å; S261-L264 PolarHBondContact O-N 3.34Å; L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 2.7Å; L264-L267 PolarHBondContact O-N 2.77Å; L264-R268 WeakPolarHBondContact O-CB 3.5Å; L264-R268 WeakPolarHBondContact O-CD 3.3Å; L264-R268 WeakPolarHBondContact O-CG 3.41Å; L264-R268 PolarHBondContact O-N 3.31Å; L264-L295 HydrophobicContact CD2-CD2 4.15Å
265	D	89.2	Confident	87.4	Confident	28 Å²	28	37.7 Å²	37.7	15%	0.15	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-33.5	177.9	-58.8	-27.5	0	0	0	112.3	S261 K263 R268 Y269 P341 R343	S261-D265 PolarHBondContact O-N 3.08Å; K263-D265 VanDerWaalsContact C-N 3.27Å; K263-D265 PolarHBondContact O-N 2.76Å; D265-R268 IonicContact OD1-NH1 3.73Å; D265-R268 PolarHBondContact OD1-NH1 2.93Å; D265-Y269 WeakPolarHBondContact O-CB 3.31Å; D265-Y269 PolarHBondContact O-N 3.35Å; D265-P341 HydrophobicContact CB-CB 4.34Å; D265-R343 IonicContact OD2-CZ 3.15Å; D265-R343 IonicContact OD2-NH1 3.61Å; D265-R343 PolarHBondContact OD2-NH1 2.75Å
266	L	90.7	Very high	87.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-74	-44.9	175.6	-65	-179.1	0	0	0	112.1	K263 L264 Y269 S270 L337 V340 L438 C439 V441 P463	K263-L266 WeakPolarHBondContact O-CB 3.25Å; K263-L266 PolarHBondContact O-N 3.31Å; K263-L266 VanDerWaalsContact O-N 3.08Å; L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 2.7Å; L266-Y269 PolarHBondContact O-N 3.39Å; L266-S270 PolarHBondContact O-N 2.66Å; L266-L337 HydrophobicContact CD2-CD2 4.3Å; L266-V340 HydrophobicContact CD2-CG1 3.96Å; L266-L438 HydrophobicContact CD1-CD2 4.01Å; L266-L438 HydrophobicContact CD1-CG 3.86Å; L266-C439 WeakPolarHBondContact CD2-O 3.49Å; L266-V441 HydrophobicContact CD1-CG1 4.21Å; L266-P463 HydrophobicContact CD2-CG 4.41Å
267	L	90.4	Very high	86.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-68.2	-38.2	-179.5	-66.9	170.2	0	0	0	112	L218 H221 A222 E225 K263 L264 S270 L271 V441	L218-L267 HydrophobicContact CD2-CD2 3.8Å; H221-L267 HydrophobicContact CB-CD1 4.1Å; A222-L267 HydrophobicContact CB-CB 4.21Å; A222-L267 HydrophobicContact CB-CD1 4.4Å; E225-L267 HydrophobicContact CG-CD1 4.41Å; K263-L267 WeakPolarHBondContact O-CG 3.39Å; K263-L267 PolarHBondContact O-N 2.83Å; L264-L267 PolarHBondContact O-N 2.77Å; L267-S270 PolarHBondContact O-N 3.23Å; L267-L271 WeakPolarHBondContact O-CG 3.39Å; L267-L271 PolarHBondContact O-N 2.94Å; L267-V441 HydrophobicContact CD2-CG2 4.48Å
268	R	88.1	Confident	85.8	Confident	54 Å²	54	37.5 Å²	37.5	20%	0.204	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-48.3	170	-75.5	168.7	-178.3	131.7	-1.1	111.5	L264 D265 S270 L271 E272 L292 L295	L264-R268 WeakPolarHBondContact O-CB 3.5Å; L264-R268 WeakPolarHBondContact O-CD 3.3Å; L264-R268 WeakPolarHBondContact O-CG 3.41Å; L264-R268 PolarHBondContact O-N 3.31Å; D265-R268 IonicContact OD1-NH1 3.73Å; D265-R268 PolarHBondContact OD1-NH1 2.93Å; R268-S270 PolarHBondContact O-N 2.8Å; R268-L271 WeakPolarHBondContact O-CB 3.35Å; R268-L271 PolarHBondContact O-N 3.15Å; R268-L271 VanDerWaalsContact O-N 3.16Å; R268-E272 WeakPolarHBondContact O-CG 3.44Å; R268-E272 PolarHBondContact O-N 3.13Å; R268-L292 HydrophobicContact CB-CD2 4.28Å; R268-L292 HydrophobicContact CG-CD2 4.35Å; R268-L295 HydrophobicContact CG-CD1 4.23Å; R268-L295 PolarHBondContact NH2-O 3.45Å
269	Y	88.6	Confident	85.1	Confident	83 Å²	83	40.2 Å²	40.2	33%	0.325	21%	0.207	S	C	.	.	H	α-helix	trans	-64.9	-37.6	-178.6	-174	-88.9	0	0	0	112.3	D265 L266 E272 E273 L337 P341 P463	D265-Y269 WeakPolarHBondContact O-CB 3.31Å; D265-Y269 PolarHBondContact O-N 3.35Å; L266-Y269 PolarHBondContact O-N 3.39Å; Y269-E272 PolarHBondContact O-N 3.45Å; Y269-E273 WeakPolarHBondContact O-CB 2.91Å; Y269-E273 PolarHBondContact O-N 3.02Å; Y269-L337 HydrophobicContact CE1-CD1 4.4Å; Y269-P341 HydrophobicContact CD2-CG 3.57Å; Y269-P341 HydrophobicContact CE2-CG 4.27Å; Y269-P341 HydrophobicContact CG-CG 3.85Å; Y269-P463 HydrophobicContact CD1-CB 3.63Å; Y269-P463 HydrophobicContact CD1-CG 3.68Å; Y269-P463 HydrophobicContact CE1-CB 4.3Å; Y269-P463 HydrophobicContact CE1-CG 4.3Å
270	S	88.3	Confident	83.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-46.3	170.5	-176.5	0	0	0	0	111.6	L218 L266 L267 R268 E272 E273 R274 E462	L218-S270 VanDerWaalsContact CD1-OG 3.3Å; L218-S270 WeakPolarHBondContact CD1-OG 3.5Å; L266-S270 PolarHBondContact O-N 2.66Å; L267-S270 PolarHBondContact O-N 3.23Å; R268-S270 PolarHBondContact O-N 2.8Å; S270-E272 VanDerWaalsContact C-N 3.35Å; S270-E272 PolarHBondContact O-N 3.31Å; S270-E273 PolarHBondContact O-N 3.49Å; S270-R274 WeakPolarHBondContact O-CG 3.28Å; S270-R274 PolarHBondContact O-N 3.01Å; S270-E462 WeakPolarHBondContact CB-OE2 3.26Å; S270-E462 PolarHBondContact OG-OE2 3.02Å
271	L	86.2	Confident	82.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-39.2	176.3	-73.8	169.6	0	0	0	112.9	L218 A222 L267 R268 L275 I288 L292	L218-L271 HydrophobicContact CB-CD2 3.69Å; L218-L271 HydrophobicContact CB-CG 4.1Å; L218-L271 HydrophobicContact CD1-CD2 4.35Å; A222-L271 HydrophobicContact CB-CD1 4.34Å; L267-L271 WeakPolarHBondContact O-CG 3.39Å; L267-L271 PolarHBondContact O-N 2.94Å; R268-L271 WeakPolarHBondContact O-CB 3.35Å; R268-L271 PolarHBondContact O-N 3.15Å; R268-L271 VanDerWaalsContact O-N 3.16Å; L271-L275 VanDerWaalsContact O-CB 3.28Å; L271-L275 WeakPolarHBondContact O-CB 3.39Å; L271-L275 PolarHBondContact O-N 3.37Å; L271-I288 HydrophobicContact CB-CG2 4.13Å; L271-I288 HydrophobicContact CD2-CG2 4.33Å; L271-L292 HydrophobicContact CB-CD2 4.08Å; L271-L292 HydrophobicContact CB-CG 4.45Å
272	E	86.3	Confident	81.2	Confident	99 Å²	99	56.2 Å²	56.2	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-64.2	-41.2	173.7	-74.3	171.2	-167.9	0	0	112.1	R268 Y269 S270 L275 S276 L292	R268-E272 WeakPolarHBondContact O-CG 3.44Å; R268-E272 PolarHBondContact O-N 3.13Å; Y269-E272 PolarHBondContact O-N 3.45Å; S270-E272 VanDerWaalsContact C-N 3.35Å; S270-E272 PolarHBondContact O-N 3.31Å; E272-L275 PolarHBondContact O-N 2.98Å; E272-S276 PolarHBondContact O-N 3.07Å; E272-L292 HydrophobicContact CG-CD1 3.75Å; E272-L292 HydrophobicContact CG-CD2 4.04Å
273	E	83.7	Confident	80	Confident	57 Å²	57	60.3 Å²	60.3	27%	0.266	31%	0.308	S	S	.	.	H	α-helix	trans	-66.3	-48.9	175.5	-171	-175.5	-131.1	0	0	111.6	Y269 S270 L275 S276 E277	Y269-E273 WeakPolarHBondContact O-CB 2.91Å; Y269-E273 PolarHBondContact O-N 3.02Å; S270-E273 PolarHBondContact O-N 3.49Å; E273-L275 VanDerWaalsContact C-N 3.27Å; E273-L275 PolarHBondContact O-N 3.19Å; E273-S276 WeakPolarHBondContact O-CA 3.18Å; E273-S276 WeakPolarHBondContact O-CB 3.26Å; E273-S276 PolarHBondContact O-N 2.97Å; E273-S276 PolarHBondContact O-OG 3.35Å; E273-E277 PolarHBondContact O-N 2.97Å
274	R	82.7	Confident	78.7	Confident	37 Å²	37	63.1 Å²	63.1	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-34.7	176.2	-63.2	-51	108.5	-171.3	0.7	112.1	V215 L218 S270 S276 E277 L278	V215-R274 HydrophobicContact CG2-CB 4.28Å; L218-R274 HydrophobicContact CD1-CG 4.06Å; S270-R274 WeakPolarHBondContact O-CG 3.28Å; S270-R274 PolarHBondContact O-N 3.01Å; R274-S276 VanDerWaalsContact C-N 3.27Å; R274-S276 PolarHBondContact O-N 2.91Å; R274-E277 IonicContact CZ-OE1 2.67Å; R274-E277 VanDerWaalsContact CZ-OE1 3.24Å; R274-E277 IonicContact CZ-OE2 2.8Å; R274-E277 IonicContact NE-OE2 3.55Å; R274-E277 IonicContact NH1-OE1 3.38Å; R274-E277 PolarHBondContact NH1-OE1 3.37Å; R274-E277 IonicContact NH1-OE2 2.97Å; R274-E277 PolarHBondContact NH1-OE2 2.87Å; R274-E277 IonicContact NH2-OE1 2.67Å; R274-E277 PolarHBondContact NH2-OE1 2.86Å; R274-E277 PolarHBondContact O-N 3.49Å; R274-L278 WeakPolarHBondContact O-CG 3.35Å; R274-L278 PolarHBondContact O-N 3.28Å
275	L	81	Confident	77.8	Confident	47 Å²	47	63.5 Å²	63.5	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-31.4	172.3	178.7	62.3	0	0	0	112.5	L271 E272 E273 I288 V289 L292	L271-L275 VanDerWaalsContact O-CB 3.28Å; L271-L275 WeakPolarHBondContact O-CB 3.39Å; L271-L275 PolarHBondContact O-N 3.37Å; E272-L275 PolarHBondContact O-N 2.98Å; E273-L275 VanDerWaalsContact C-N 3.27Å; E273-L275 PolarHBondContact O-N 3.19Å; L275-I288 HydrophobicContact CB-CG2 4Å; L275-I288 HydrophobicContact CD1-CB 4.4Å; L275-I288 HydrophobicContact CD2-CG2 4.42Å; L275-V289 HydrophobicContact CD1-CG2 4.02Å; L275-V289 HydrophobicContact CD2-CG2 3.58Å; L275-V289 HydrophobicContact CG-CG2 4.47Å; L275-L292 HydrophobicContact CD2-CD1 4.19Å
276	S	76.8	Confident	76.7	Confident	95 Å²	95	66.3 Å²	66.3	66%	0.664	34%	0.343	S	S	*	.	H	α-helix	trans	-76.1	-26.7	178.2	82.1	0	0	0	0	113.8	E272 E273 R274	E272-S276 PolarHBondContact O-N 3.07Å; E273-S276 WeakPolarHBondContact O-CA 3.18Å; E273-S276 WeakPolarHBondContact O-CB 3.26Å; E273-S276 PolarHBondContact O-N 2.97Å; E273-S276 PolarHBondContact O-OG 3.35Å; R274-S276 VanDerWaalsContact C-N 3.27Å; R274-S276 PolarHBondContact O-N 2.91Å
277	E	74.3	Confident	75.6	Confident	109 Å²	109	68.5 Å²	68.5	51%	0.509	36%	0.361	S	S	.	.	H	α-helix	trans	-77.3	-27	174.9	-66.3	-179.8	161.3	0	0	113.1	E273 R274	E273-E277 PolarHBondContact O-N 2.97Å; R274-E277 IonicContact CZ-OE1 2.67Å; R274-E277 VanDerWaalsContact CZ-OE1 3.24Å; R274-E277 IonicContact CZ-OE2 2.8Å; R274-E277 IonicContact NE-OE2 3.55Å; R274-E277 IonicContact NH1-OE1 3.38Å; R274-E277 PolarHBondContact NH1-OE1 3.37Å; R274-E277 IonicContact NH1-OE2 2.97Å; R274-E277 PolarHBondContact NH1-OE2 2.87Å; R274-E277 IonicContact NH2-OE1 2.67Å; R274-E277 PolarHBondContact NH2-OE1 2.86Å; R274-E277 PolarHBondContact O-N 3.49Å
278	L	72.2	Confident	74.8	Confident	32 Å²	32	68.5 Å²	68.5	17%	0.168	36%	0.361	C	S	.	.	S	Bend	trans	-76.4	140	-174.7	-76.8	170.7	0	0	0	112.9	R274 K280 S285 I288	R274-L278 WeakPolarHBondContact O-CG 3.35Å; R274-L278 PolarHBondContact O-N 3.28Å; L278-K280 PolarHBondContact O-N 3.17Å; L278-S285 WeakPolarHBondContact CB-OG 3.4Å; L278-I288 HydrophobicContact CD1-CD1 3.59Å
279	P	72.1	Confident	74.3	Confident	93 Å²	93	69.7 Å²	69.7	60%	0.604	37%	0.374	S	S	*	.			trans	-56.8	137.9	170.5	-24.7	34.4	0	0	0	111.9	N281 H282	P279-N281 PolarHBondContact O-N 3.19Å; P279-H282 WeakPolarHBondContact O-CB 3.47Å; P279-H282 PolarHBondContact O-N 2.81Å
280	K	58.3	Low	73.5	Confident	204 Å²	204	70.6 Å²	70.6	89%	0.887	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-12.5	-173	-66.2	-177	177.8	179.9	0	116	L278	L278-K280 PolarHBondContact O-N 3.17Å
281	N	58.9	Low	72.9	Confident	160 Å²	160	71.1 Å²	71.1	86%	0.856	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	8.6	178.9	-62.1	3.1	0	0	0	112.9	P279	P279-N281 PolarHBondContact O-N 3.19Å
282	H	68.6	Low	72.6	Confident	59 Å²	59	72 Å²	72	27%	0.273	39%	0.388	S	S	.	.			trans	-73.5	133.3	-178.8	-164.9	-109.7	0	0	0	111.1	D212 P279 R284 S285	D212-H282 IonicContact OD1-CE1 2.79Å; D212-H282 PolarHBondContact OD1-CE1 3.5Å; P279-H282 WeakPolarHBondContact O-CB 3.47Å; P279-H282 PolarHBondContact O-N 2.81Å; H282-R284 VanDerWaalsContact C-N 3.3Å; H282-R284 PolarHBondContact O-N 2.79Å; H282-S285 WeakPolarHBondContact O-CB 3.46Å; H282-S285 PolarHBondContact O-N 3.37Å; H282-S285 PolarHBondContact O-OG 3.27Å
283	P	64.1	Low	72	Confident	103 Å²	103	70.3 Å²	70.3	67%	0.669	39%	0.387	S	S	*	.	H	α-helix	trans	-60.4	-35.8	-174.5	21	-32.9	0	0	0	113.4	S285 S286	P283-S285 VanDerWaalsContact C-N 3.3Å; P283-S285 PolarHBondContact O-N 3.27Å; P283-S286 PolarHBondContact O-N 3.31Å
284	R	64	Low	71.4	Confident	59 Å²	59	71.3 Å²	71.3	22%	0.223	39%	0.394	C	S	.	.	H	α-helix	trans	-70.4	-18.7	176.4	-66.7	-150.6	-178.3	-152.3	-11.5	114.4	D212 E216 H282 S286 A287 I288	D212-R284 PolarHBondContact O-NH1 3.46Å; D212-R284 WeakPolarHBondContact OD1-CD 3.42Å; D212-R284 IonicContact OD1-NE 2.69Å; D212-R284 PolarHBondContact OD1-NE 3.47Å; E216-R284 IonicContact OE2-CZ 3.47Å; E216-R284 VanDerWaalsContact OE2-CZ 3.23Å; E216-R284 IonicContact OE2-NH1 2.64Å; E216-R284 PolarHBondContact OE2-NH1 2.86Å; E216-R284 IonicContact OE2-NH2 3.46Å; E216-R284 PolarHBondContact OE2-NH2 3.19Å; H282-R284 VanDerWaalsContact C-N 3.3Å; H282-R284 PolarHBondContact O-N 2.79Å; R284-S286 PolarHBondContact O-N 2.67Å; R284-A287 PolarHBondContact O-N 2.9Å; R284-A287 VanDerWaalsContact O-N 3.11Å; R284-I288 WeakPolarHBondContact O-CG1 3.48Å; R284-I288 PolarHBondContact O-N 2.76Å
285	S	68.6	Low	70.8	Confident	13 Å²	13	70.5 Å²	70.5	9%	0.091	39%	0.393	C	S	.	.	H	α-helix	trans	-62.3	-34.2	175.8	-57.3	0	0	0	0	111.8	L278 H282 P283 V289	L278-S285 WeakPolarHBondContact CB-OG 3.4Å; H282-S285 WeakPolarHBondContact O-CB 3.46Å; H282-S285 PolarHBondContact O-N 3.37Å; H282-S285 PolarHBondContact O-OG 3.27Å; P283-S285 VanDerWaalsContact C-N 3.3Å; P283-S285 PolarHBondContact O-N 3.27Å; S285-V289 WeakPolarHBondContact O-CG2 3.4Å; S285-V289 PolarHBondContact O-N 3.29Å; S285-V289 VanDerWaalsContact O-N 3.16Å
286	S	66.4	Low	69.9	Low	87 Å²	87	72.3 Å²	72.3	61%	0.608	41%	0.409	S	S	*	.	H	α-helix	trans	-67.2	-38.7	174.5	-58.7	0	0	0	0	112.1	P283 R284 V289 E290	P283-S286 PolarHBondContact O-N 3.31Å; R284-S286 PolarHBondContact O-N 2.67Å; S286-V289 PolarHBondContact O-N 3.3Å; S286-E290 PolarHBondContact O-N 3.42Å
287	A	68.3	Low	68.8	Low	46 Å²	46	71.6 Å²	71.6	38%	0.38	40%	0.404	S	S	.	.	H	α-helix	trans	-68.2	-40.2	178.5	0	0	0	0	0	112.4	R284 E290 E291	R284-A287 PolarHBondContact O-N 2.9Å; R284-A287 VanDerWaalsContact O-N 3.11Å; A287-E290 PolarHBondContact O-N 3.24Å; A287-E291 WeakPolarHBondContact O-CG 3.42Å; A287-E291 PolarHBondContact O-N 3.44Å
288	I	73.3	Confident	67.5	Low	1 Å²	1	71.6 Å²	71.6	1%	0.005	41%	0.414	C	S	.	.	H	α-helix	trans	-63.9	-42.1	175	-60.4	162.9	0	0	0	110.6	V215 L271 L275 L278 R284 E290 E291 L292	V215-I288 HydrophobicContact CG1-CD1 3.8Å; V215-I288 HydrophobicContact CG1-CG1 3.73Å; V215-I288 HydrophobicContact CG2-CD1 4.14Å; L271-I288 HydrophobicContact CB-CG2 4.13Å; L271-I288 HydrophobicContact CD2-CG2 4.33Å; L275-I288 HydrophobicContact CB-CG2 4Å; L275-I288 HydrophobicContact CD1-CB 4.4Å; L275-I288 HydrophobicContact CD2-CG2 4.42Å; L278-I288 HydrophobicContact CD1-CD1 3.59Å; R284-I288 WeakPolarHBondContact O-CG1 3.48Å; R284-I288 PolarHBondContact O-N 2.76Å; I288-E290 VanDerWaalsContact C-N 3.34Å; I288-E290 PolarHBondContact O-N 3.37Å; I288-E291 PolarHBondContact O-N 2.99Å; I288-L292 HydrophobicContact CG2-CD1 3.87Å; I288-L292 HydrophobicContact CG2-CG 4.32Å; I288-L292 WeakPolarHBondContact O-CB 3.48Å; I288-L292 VanDerWaalsContact O-CG 3.31Å; I288-L292 WeakPolarHBondContact O-CG 3.43Å; I288-L292 PolarHBondContact O-N 3.2Å
289	V	76.7	Confident	66.2	Low	79 Å²	79	73.4 Å²	73.4	48%	0.479	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-39.8	175.1	169.6	0	0	0	0	111.8	L275 S285 S286 S293	L275-V289 HydrophobicContact CD1-CG2 4.02Å; L275-V289 HydrophobicContact CD2-CG2 3.58Å; L275-V289 HydrophobicContact CG-CG2 4.47Å; S285-V289 WeakPolarHBondContact O-CG2 3.4Å; S285-V289 PolarHBondContact O-N 3.29Å; S285-V289 VanDerWaalsContact O-N 3.16Å; S286-V289 PolarHBondContact O-N 3.3Å; V289-S293 WeakPolarHBondContact O-CB 3.48Å; V289-S293 PolarHBondContact O-N 3.38Å
290	E	73.5	Confident	64.6	Low	102 Å²	102	75.9 Å²	75.9	48%	0.477	44%	0.441	S	S	.	.	H	α-helix	trans	-62.5	-51.2	175.6	-169.6	179.2	-167.6	0	0	111.3	S286 A287 I288 L292 S293 L294 Q310	S286-E290 PolarHBondContact O-N 3.42Å; A287-E290 PolarHBondContact O-N 3.24Å; I288-E290 VanDerWaalsContact C-N 3.34Å; I288-E290 PolarHBondContact O-N 3.37Å; E290-L292 PolarHBondContact O-N 2.71Å; E290-S293 WeakPolarHBondContact O-CB 3.28Å; E290-S293 PolarHBondContact O-N 3.41Å; E290-S293 VanDerWaalsContact O-N 3.12Å; E290-S293 PolarHBondContact O-OG 2.83Å; E290-L294 HydrophobicContact CG-CD1 4.45Å; E290-L294 WeakPolarHBondContact O-CG 3.39Å; E290-L294 PolarHBondContact O-N 2.93Å; E290-Q310 PolarHBondContact OE1-NE2 2.8Å; E290-Q310 PolarHBondContact OE2-NE2 2.93Å
291	E	75.6	Confident	63.4	Low	11 Å²	11	70.1 Å²	70.1	5%	0.051	43%	0.426	C	S	.	.	H	α-helix	trans	-59.8	-44.6	177.6	-68.1	-71.5	143.5	0	0	112.3	R223 A287 I288 S293 L294 L295	R223-E291 IonicContact CZ-OE1 2.65Å; R223-E291 IonicContact CZ-OE2 3.24Å; R223-E291 IonicContact NE-OE1 2.65Å; R223-E291 PolarHBondContact NE-OE1 2.76Å; R223-E291 IonicContact NE-OE2 2.71Å; R223-E291 PolarHBondContact NE-OE2 3.02Å; R223-E291 IonicContact NH2-OE1 3.36Å; R223-E291 PolarHBondContact NH2-OE1 2.92Å; R223-E291 IonicContact NH2-OE2 3.39Å; A287-E291 WeakPolarHBondContact O-CG 3.42Å; A287-E291 PolarHBondContact O-N 3.44Å; I288-E291 PolarHBondContact O-N 2.99Å; E291-S293 VanDerWaalsContact C-N 3.28Å; E291-S293 PolarHBondContact O-N 3.5Å; E291-L294 PolarHBondContact O-N 3.11Å; E291-L295 WeakPolarHBondContact O-CB 3.19Å; E291-L295 VanDerWaalsContact O-CG 3.25Å; E291-L295 WeakPolarHBondContact O-CG 3.34Å; E291-L295 PolarHBondContact O-N 3.32Å
292	L	78.4	Confident	62.3	Low	19 Å²	19	68.1 Å²	68.1	10%	0.099	42%	0.422	C	S	.	.	H	α-helix	trans	-62.1	-34.1	176	-72.9	171.6	0	0	0	112.5	R268 L271 E272 L275 I288 E290 S296	R268-L292 HydrophobicContact CB-CD2 4.28Å; R268-L292 HydrophobicContact CG-CD2 4.35Å; L271-L292 HydrophobicContact CB-CD2 4.08Å; L271-L292 HydrophobicContact CB-CG 4.45Å; E272-L292 HydrophobicContact CG-CD1 3.75Å; E272-L292 HydrophobicContact CG-CD2 4.04Å; L275-L292 HydrophobicContact CD2-CD1 4.19Å; I288-L292 HydrophobicContact CG2-CD1 3.87Å; I288-L292 HydrophobicContact CG2-CG 4.32Å; I288-L292 WeakPolarHBondContact O-CB 3.48Å; I288-L292 VanDerWaalsContact O-CG 3.31Å; I288-L292 WeakPolarHBondContact O-CG 3.43Å; I288-L292 PolarHBondContact O-N 3.2Å; E290-L292 PolarHBondContact O-N 2.71Å; L292-S296 VanDerWaalsContact O-CB 3.29Å; L292-S296 WeakPolarHBondContact O-CB 3.4Å; L292-S296 PolarHBondContact O-N 3.41Å; L292-S296 VanDerWaalsContact O-N 3.1Å; L292-S296 PolarHBondContact O-OG 3.41Å
293	S	75.6	Confident	60.7	Low	63 Å²	63	75.3 Å²	75.3	44%	0.441	45%	0.447	S	S	.	.	H	α-helix	trans	-70.3	-38	175.5	81.4	0	0	0	0	112.8	V289 E290 E291 S296 S297	V289-S293 WeakPolarHBondContact O-CB 3.48Å; V289-S293 PolarHBondContact O-N 3.38Å; E290-S293 WeakPolarHBondContact O-CB 3.28Å; E290-S293 PolarHBondContact O-N 3.41Å; E290-S293 VanDerWaalsContact O-N 3.12Å; E290-S293 PolarHBondContact O-OG 2.83Å; E291-S293 VanDerWaalsContact C-N 3.28Å; E291-S293 PolarHBondContact O-N 3.5Å; S293-S296 PolarHBondContact O-N 3.19Å; S293-S297 PolarHBondContact O-N 3.18Å; S293-S297 PolarHBondContact O-OG 2.79Å
294	L	71.1	Confident	59.2	Low	79 Å²	79	73.2 Å²	73.2	41%	0.414	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-47.3	173.1	-68.2	169.9	0	0	0	110.4	E290 E291 S296 S297	E290-L294 HydrophobicContact CG-CD1 4.45Å; E290-L294 WeakPolarHBondContact O-CG 3.39Å; E290-L294 PolarHBondContact O-N 2.93Å; E291-L294 PolarHBondContact O-N 3.11Å; L294-S296 PolarHBondContact O-N 3.26Å; L294-S297 PolarHBondContact O-N 3.4Å
295	L	68.8	Low	57.8	Low	19 Å²	19	74.9 Å²	74.9	10%	0.099	46%	0.455	C	S	.	.	H	α-helix	trans	-64.9	-20.8	179.6	-72.7	170	0	0	0	114.1	A222 L264 R268 E291	A222-L295 HydrophobicContact CB-CD1 4.16Å; L264-L295 HydrophobicContact CD2-CD2 4.15Å; R268-L295 HydrophobicContact CG-CD1 4.23Å; R268-L295 PolarHBondContact NH2-O 3.45Å; E291-L295 WeakPolarHBondContact O-CB 3.19Å; E291-L295 VanDerWaalsContact O-CG 3.25Å; E291-L295 WeakPolarHBondContact O-CG 3.34Å; E291-L295 PolarHBondContact O-N 3.32Å
296	S	62.1	Low	56.3	Low	85 Å²	85	79.5 Å²	79.5	59%	0.594	48%	0.478	S	S	*	.	H	α-helix	trans	-95.5	-11	179.5	-65.8	0	0	0	0	114	L292 S293 L294 P298	L292-S296 VanDerWaalsContact O-CB 3.29Å; L292-S296 WeakPolarHBondContact O-CB 3.4Å; L292-S296 PolarHBondContact O-N 3.41Å; L292-S296 VanDerWaalsContact O-N 3.1Å; L292-S296 PolarHBondContact O-OG 3.41Å; S293-S296 PolarHBondContact O-N 3.19Å; L294-S296 PolarHBondContact O-N 3.26Å; S296-P298 WeakPolarHBondContact O-CD 3.41Å
297	S	54.2	Low	54.8	Low	81 Å²	81	80.8 Å²	80.8	57%	0.566	48%	0.477	S	S	*	.			trans	-82.1	120.3	-171.3	-72.4	0	0	0	0	112.8	S293 L294 A299	S293-S297 PolarHBondContact O-N 3.18Å; S293-S297 PolarHBondContact O-OG 2.79Å; L294-S297 PolarHBondContact O-N 3.4Å; S297-A299 PolarHBondContact O-N 3.26Å
298	P	47.5	Very low	53.1	Low	109 Å²	109	82 Å²	82	71%	0.708	48%	0.483	S	S	*	.			trans	-69.9	122.6	174.2	28.4	-33.1	0	0	0	110.3	S296 L300	S296-P298 WeakPolarHBondContact O-CD 3.41Å; P298-L300 PolarHBondContact O-N 3.43Å
299	A	44.8	Very low	51.2	Low	70 Å²	70	84.4 Å²	84.4	58%	0.579	50%	0.497	S	S	*	.			trans	-59.9	92.9	-176	0	0	0	0	0	113.7	S297	S297-A299 PolarHBondContact O-N 3.26Å
300	L	37	Very low	49.2	Very low	145 Å²	145	82.4 Å²	82.4	76%	0.759	48%	0.482	S	S	*	.			trans	-96.2	127.6	169.8	-72.1	172	0	0	0	110.3	P298	P298-L300 PolarHBondContact O-N 3.43Å
301	S	34	Very low	47.4	Very low	82 Å²	82	82.2 Å²	82.2	57%	0.573	49%	0.485	S	S	*	.	S	Bend	trans	74.3	135.3	178.8	-159.4	0	0	0	0	116.3	R303 S304	S301-R303 PolarHBondContact O-N 2.91Å; S301-S304 PolarHBondContact O-N 2.97Å; S301-S304 PolarHBondContact O-OG 3.25Å
302	P	36.1	Very low	45.3	Very low	119 Å²	119	88.7 Å²	88.7	77%	0.773	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	22.9	178.7	-20.3	33.6	0	0	0	116.7
303	R	33.7	Very low	43.1	Very low	209 Å²	209	96.9 Å²	96.9	79%	0.789	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-12.9	178.6	-75	-175.2	167.5	-169.2	-4.1	113.5	S301	S301-R303 PolarHBondContact O-N 2.91Å
304	S	33.7	Very low	41.3	Very low	59 Å²	59	95.5 Å²	95.5	41%	0.413	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-77.8	-27	176.8	53.6	0	0	0	0	113.4	S301 I306 I307	S301-S304 PolarHBondContact O-N 2.97Å; S301-S304 PolarHBondContact O-OG 3.25Å; S304-I306 PolarHBondContact O-N 2.77Å; S304-I307 PolarHBondContact O-N 3.13Å
305	S	33.7	Very low	39.8	Very low	95 Å²	95	95 Å²	95	66%	0.664	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-66	11	176.6	55.1	0	0	0	0	114.9
306	I	37.8	Very low	38.9	Very low	110 Å²	110	95.2 Å²	95.2	56%	0.564	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-96	-10.6	170.8	-64.4	175.3	0	0	0	110.5	S304 R869	S304-I306 PolarHBondContact O-N 2.77Å; I306-R869 PolarHBondContact O-NH1 3.09Å; I306-R869 PolarHBondContact O-NH2 2.88Å
307	I	34	Very low	38.5	Very low	114 Å²	114	95.1 Å²	95.1	59%	0.585	54%	0.535	S	S	*	.			trans	-104.6	97.6	-173.9	-53.8	-177.7	0	0	0	112.4	S304	S304-I307 PolarHBondContact O-N 3.13Å
308	S	32.6	Very low	38.9	Very low	72 Å²	72	99.5 Å²	99.5	50%	0.503	54%	0.543	S	S	.	.			trans	-144.8	99.2	137	-176.5	0	0	0	0	106.4	R869	S308-R869 PolarHBondContact O-NH2 2.81Å; S308-R869 VanDerWaalsContact O-NH2 3.13Å
309	T	35	Very low	39.7	Very low	50 Å²	50	95.4 Å²	95.4	31%	0.307	52%	0.517	S	S	.	.			trans	-114.7	-12.2	-179	-31.8	0	0	0	0	111.8	N311 R869	T309-N311 PolarHBondContact O-N 3.1Å; T309-R869 HydrophobicContact CG2-CB 4.5Å; T309-R869 PolarHBondContact OG1-NH1 2.92Å; T309-R869 VanDerWaalsContact OG1-NH1 3.1Å
310	Q	33.7	Very low	40.9	Very low	37 Å²	37	93 Å²	93	17%	0.173	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	31.5	-172.4	-73.4	140.2	-57.4	0	0	114.4	R223 E290	R223-Q310 PolarHBondContact NH1-O 2.73Å; R223-Q310 PolarHBondContact NH2-O 3.48Å; E290-Q310 PolarHBondContact OE1-NE2 2.8Å; E290-Q310 PolarHBondContact OE2-NE2 2.93Å
311	N	35.4	Very low	42.9	Very low	99 Å²	99	86.6 Å²	86.6	53%	0.529	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-5	160.7	-93.6	23	0	0	0	113	R223 T309 Y313 S314	R223-N311 PolarHBondContact NH1-OD1 2.84Å; T309-N311 PolarHBondContact O-N 3.1Å; N311-Y313 PolarHBondContact O-N 3.14Å; N311-S314 PolarHBondContact O-N 3.32Å; N311-S314 VanDerWaalsContact O-N 3.11Å
312	Q	32.2	Very low	45.1	Very low	147 Å²	147	82.7 Å²	82.7	69%	0.687	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.3	170.2	-71.9	-178	-31.8	0	0	114
313	Y	32.1	Very low	47.2	Very low	190 Å²	190	79 Å²	79	75%	0.745	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	14.5	174.5	-63.8	-71.6	0	0	0	113.7	N311 T315	N311-Y313 PolarHBondContact O-N 3.14Å; Y313-T315 PolarHBondContact O-N 2.8Å
314	S	36.8	Very low	49.6	Very low	35 Å²	35	69.9 Å²	69.9	25%	0.245	38%	0.384	C	S	.	.			trans	-88	91.8	176.3	-176.1	0	0	0	0	110.2	N311 V316	N311-S314 PolarHBondContact O-N 3.32Å; N311-S314 VanDerWaalsContact O-N 3.11Å; S314-V316 VanDerWaalsContact C-N 3.26Å
315	T	40	Very low	52	Low	68 Å²	68	69.3 Å²	69.3	42%	0.417	38%	0.378	S	S	.	.			trans	-75.2	-16.6	174.3	72.1	0	0	0	0	112.7	I208 E216 Y313 T317	I208-T315 HydrophobicContact CD1-CG2 3.6Å; I208-T315 WeakPolarHBondContact CD1-OG1 3.33Å; E216-T315 WeakPolarHBondContact OE1-CA 3.48Å; E216-T315 WeakPolarHBondContact OE1-CB 3.42Å; E216-T315 PolarHBondContact OE1-N 3.19Å; E216-T315 PolarHBondContact OE1-OG1 3.09Å; E216-T315 PolarHBondContact OE2-OG1 3.42Å; Y313-T315 PolarHBondContact O-N 2.8Å; T315-T317 PolarHBondContact O-N 3.26Å
316	V	49.6	Very low	54.5	Low	24 Å²	24	64.8 Å²	64.8	15%	0.145	35%	0.347	C	S	.	.			trans	-57.2	102.3	171.5	178.7	0	0	0	0	110.7	E216 S314	E216-V316 HydrophobicContact CB-CG2 4.38Å; E216-V316 HydrophobicContact CG-CG2 4.22Å; E216-V316 PolarHBondContact OE1-N 3.16Å; S314-V316 VanDerWaalsContact C-N 3.26Å
317	T	55.5	Low	56.9	Low	82 Å²	82	60.5 Å²	60.5	50%	0.503	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-64.3	132.1	172.5	49.8	0	0	0	0	110.8	T315 P319	T315-T317 PolarHBondContact O-N 3.26Å; T317-P319 WeakPolarHBondContact O-CD 3.07Å
318	K	60.6	Low	59.6	Low	173 Å²	173	55 Å²	55	75%	0.752	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-54.5	119.8	177.1	-175.4	175.3	-175.7	174.4	0	110.8
319	P	64.3	Low	62.4	Low	24 Å²	24	55.2 Å²	55.2	16%	0.156	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-58.8	155.3	-175	-28	35.4	0	0	0	114.3	T317 R424 R445 E447	T317-P319 WeakPolarHBondContact O-CD 3.07Å; P319-R424 PolarHBondContact O-NH1 3.42Å; P319-R445 HydrophobicContact CG-CG 4.46Å; P319-E447 WeakPolarHBondContact CA-OE2 3.48Å; P319-E447 HydrophobicContact CB-CG 4.49Å
320	A	71.3	Confident	65.1	Low	20 Å²	20	52.9 Å²	52.9	17%	0.165	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-61.2	150.9	172.6	0	0	0	0	0	112.5	F180 L322 E447 I478	F180-A320 HydrophobicContact CE2-CB 3.96Å; F180-A320 HydrophobicContact CZ-CB 4.33Å; A320-L322 HydrophobicContact CB-CD2 3.9Å; A320-L322 HydrophobicContact CB-CG 4.22Å; A320-E447 HydrophobicContact CB-CB 4.38Å; A320-E447 PolarHBondContact N-OE2 2.9Å; A320-I478 HydrophobicContact CB-CG2 4.24Å
321	A	78.2	Confident	67.8	Low	9 Å²	9	52.5 Å²	52.5	7%	0.074	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-90.9	126.2	168.5	0	0	0	0	0	109.1	R422 E479	A321-R422 HydrophobicContact CB-CB 4.36Å; A321-R422 WeakPolarHBondContact CB-O 3.46Å; A321-E479 PolarHBondContact O-N 2.87Å
322	L	81.7	Confident	70.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.8	-166	-58.3	177.4	0	0	0	111.5	A320 R422 S423 L446 E447 L450 F473 V477 I478	A320-L322 HydrophobicContact CB-CD2 3.9Å; A320-L322 HydrophobicContact CB-CG 4.22Å; L322-R422 CarbonylContact O-C 3.55Å; L322-R422 PolarHBondContact O-N 3.15Å; L322-S423 PolarHBondContact N-O 2.81Å; L322-S423 PolarHBondContact O-N 3.16Å; L322-L446 HydrophobicContact CD1-CB 3.78Å; L322-L446 WeakPolarHBondContact CD1-O 3.41Å; L322-E447 HydrophobicContact CD1-CB 4.04Å; L322-L450 HydrophobicContact CD1-CD1 4.5Å; L322-L450 HydrophobicContact CD1-CD2 3.96Å; L322-L450 HydrophobicContact CD1-CG 4.39Å; L322-L450 HydrophobicContact CD2-CD2 4.01Å; L322-F473 HydrophobicContact CB-CE1 4.13Å; L322-F473 HydrophobicContact CB-CZ 4.03Å; L322-F473 HydrophobicContact CD1-CE1 4Å; L322-V477 WeakPolarHBondContact CA-O 3.48Å; L322-I478 HydrophobicContact CD2-CB 4.02Å; L322-I478 HydrophobicContact CD2-CG1 3.73Å; L322-I478 HydrophobicContact CD2-CG2 3.91Å
323	T	80.2	Confident	73.1	Confident	42 Å²	42	40.8 Å²	40.8	26%	0.258	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143	-176.9	-62.5	0	0	0	0	109.2	L420 R422 V477	T323-L420 WeakPolarHBondContact CA-O 3.44Å; T323-L420 WeakPolarHBondContact CG2-O 3.42Å; T323-R422 PolarHBondContact OG1-N 2.91Å; T323-V477 PolarHBondContact N-O 3.35Å; T323-V477 PolarHBondContact O-N 3.48Å
324	G	82.3	Confident	75.9	Confident	18 Å²	18	34.5 Å²	34.5	19%	0.186	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.6	-150.3	-176.9	0	0	0	0	0	112.3	L420	G324-L420 PolarHBondContact N-O 3.24Å; G324-L420 PolarHBondContact O-N 3.23Å
325	T	84.1	Confident	78.4	Confident	46 Å²	46	37 Å²	37	28%	0.282	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.3	-176.7	-49.3	0	0	0	0	111.5	T417 L418 F474	T325-T417 HydrophobicContact CG2-CG2 3.63Å; T325-L418 CarbonylContact C-O 3.56Å; T325-L418 WeakPolarHBondContact CA-O 3.22Å; T325-F474 PolarHBondContact N-O 2.97Å; T325-F474 VanDerWaalsContact N-O 3.11Å; T325-F474 PolarHBondContact O-N 3.4Å
326	L	88.1	Confident	80.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.3	-179.9	-168.9	74.3	0	0	0	110.3	V328 L418 L420 L426 L446 V471 F473	L326-V328 HydrophobicContact CD2-CG2 3.84Å; L326-V328 HydrophobicContact CG-CG2 3.92Å; L326-L418 HydrophobicContact CB-CB 4.37Å; L326-L418 HydrophobicContact CD2-CD1 4.47Å; L326-L418 PolarHBondContact N-O 2.78Å; L326-L418 WeakPolarHBondContact O-CB 3.33Å; L326-L418 PolarHBondContact O-N 2.69Å; L326-L420 HydrophobicContact CB-CD1 3.99Å; L326-L420 HydrophobicContact CB-CD2 4.15Å; L326-L420 HydrophobicContact CB-CG 4.06Å; L326-L420 HydrophobicContact CD2-CD2 4.43Å; L326-L426 HydrophobicContact CD2-CD2 4.01Å; L326-L446 HydrophobicContact CD2-CD2 3.59Å; L326-V471 HydrophobicContact CD1-CG1 3.63Å; L326-V471 HydrophobicContact CG-CG1 4.23Å; L326-F473 HydrophobicContact CD1-CB 3.72Å; L326-F473 HydrophobicContact CD1-CD1 4.3Å; L326-F473 HydrophobicContact CD1-CD2 4.49Å; L326-F473 HydrophobicContact CD1-CG 3.94Å
327	D	87.4	Confident	82.5	Confident	20 Å²	20	33.4 Å²	33.4	11%	0.107	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.6	168.4	-89.3	-24.1	0	0	0	109.7	K415 F416 T417 V471 T472 F474	D327-K415 WeakPolarHBondContact OD1-CE 3.22Å; D327-K415 IonicContact OD1-NZ 3.82Å; D327-K415 WeakPolarHBondContact OD2-CE 3.37Å; D327-K415 IonicContact OD2-NZ 3.85Å; D327-K415 PolarHBondContact OD2-NZ 3.29Å; D327-F416 WeakPolarHBondContact CA-O 3.28Å; D327-T417 WeakPolarHBondContact OD1-CA 3.26Å; D327-T417 VanDerWaalsContact OD1-CB 3.29Å; D327-T417 WeakPolarHBondContact OD1-CB 3.21Å; D327-T417 WeakPolarHBondContact OD1-CG2 3.44Å; D327-T417 PolarHBondContact OD1-OG1 2.85Å; D327-V471 CarbonylContact O-C 3.53Å; D327-V471 WeakPolarHBondContact O-CA 3.26Å; D327-T472 PolarHBondContact N-O 2.7Å; D327-T472 PolarHBondContact O-N 3.12Å; D327-F474 HydrophobicContact CB-CE2 4.02Å; D327-F474 VanDerWaalsContact OD2-CE2 3.3Å; D327-F474 WeakPolarHBondContact OD2-CE2 3.41Å
328	V	90.7	Very high	83.9	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.8	177.2	-175.8	0	0	0	0	109.2	L326 L330 L392 K415 F416 L418 L426 E470 V471	L326-V328 HydrophobicContact CD2-CG2 3.84Å; L326-V328 HydrophobicContact CG-CG2 3.92Å; V328-L330 HydrophobicContact CG1-CD2 3.91Å; V328-L330 HydrophobicContact CG1-CG 4.43Å; V328-L392 HydrophobicContact CB-CD2 3.94Å; V328-L392 HydrophobicContact CG1-CD2 3.71Å; V328-L392 HydrophobicContact CG2-CD2 4.44Å; V328-K415 CarbonylContact O-C 3.53Å; V328-K415 WeakPolarHBondContact O-CA 3.49Å; V328-F416 PolarHBondContact N-O 3.43Å; V328-F416 PolarHBondContact O-N 2.64Å; V328-L418 HydrophobicContact CG2-CD1 4.01Å; V328-L426 HydrophobicContact CG2-CD2 3.83Å; V328-E470 CarbonylContact C-O 3.31Å; V328-E470 WeakPolarHBondContact CA-O 3.39Å; V328-V471 HydrophobicContact CG1-CG2 4.41Å
329	R	90.9	Very high	84.9	Confident	76 Å²	76	33.2 Å²	33.2	29%	0.287	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.4	175.4	-171.3	-167.1	-173.4	-178.2	-4.5	109.2	D413 Q414 K415 A469 E470	R329-D413 IonicContact CZ-OD1 3.21Å; R329-D413 IonicContact CZ-OD2 2.72Å; R329-D413 IonicContact NE-OD1 2.91Å; R329-D413 PolarHBondContact NE-OD1 2.83Å; R329-D413 VanDerWaalsContact NH2-CG 3.26Å; R329-D413 IonicContact NH2-OD1 3.82Å; R329-D413 PolarHBondContact NH2-OD1 2.67Å; R329-D413 IonicContact NH2-OD2 2.69Å; R329-D413 PolarHBondContact NH2-OD2 3.21Å; R329-Q414 CarbonylContact C-O 3.44Å; R329-Q414 WeakPolarHBondContact CA-O 3.4Å; R329-K415 HydrophobicContact CG-CB 4.4Å; R329-A469 CarbonylContact O-C 3.51Å; R329-A469 WeakPolarHBondContact O-CA 3.09Å; R329-E470 HydrophobicContact CB-CB 4.1Å; R329-E470 HydrophobicContact CB-CG 4.43Å; R329-E470 WeakPolarHBondContact CD-OE2 3.37Å; R329-E470 IonicContact CZ-OE2 3.86Å; R329-E470 PolarHBondContact N-O 3.13Å; R329-E470 IonicContact NE-OE2 3.13Å; R329-E470 IonicContact NH1-OE2 2.65Å; R329-E470 PolarHBondContact NH1-OE2 3.22Å; R329-E470 PolarHBondContact O-N 3.26Å
330	L	90.9	Very high	85.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.8	174.4	-58	-170.6	0	0	0	109	V328 A390 L392 T402 W412 D413 Q414 F416 I428 L467 A469	V328-L330 HydrophobicContact CG1-CD2 3.91Å; V328-L330 HydrophobicContact CG1-CG 4.43Å; L330-A390 HydrophobicContact CD1-CB 3.77Å; L330-L392 HydrophobicContact CD1-CD1 3.73Å; L330-L392 HydrophobicContact CD1-CG 4.27Å; L330-T402 HydrophobicContact CB-CG2 4.29Å; L330-T402 HydrophobicContact CD1-CG2 3.98Å; L330-W412 HydrophobicContact CB-CE3 4.08Å; L330-D413 WeakPolarHBondContact O-CA 3.24Å; L330-D413 PolarHBondContact O-N 3.31Å; L330-Q414 PolarHBondContact N-O 3.44Å; L330-Q414 PolarHBondContact O-N 3.27Å; L330-F416 HydrophobicContact CG-CE2 4.47Å; L330-I428 HydrophobicContact CD1-CG2 4.22Å; L330-I428 HydrophobicContact CD2-CD1 4.22Å; L330-L467 HydrophobicContact CD2-CD1 4.44Å; L330-L467 HydrophobicContact CD2-CD2 4.44Å; L330-A469 HydrophobicContact CD2-CB 3.78Å
331	M	90.6	Very high	86.3	Confident	30 Å²	30	33.2 Å²	33.2	15%	0.148	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-54.1	179.1	-74.8	175.2	-76.7	0	0	110.2	N409 Q410 A411 W412 D413 F468 E470	M331-N409 CarbonylContact C-O 3.53Å; M331-Q410 CarbonylContact O-C 3.27Å; M331-Q410 VanDerWaalsContact O-C 3.27Å; M331-Q410 WeakPolarHBondContact O-CA 3.09Å; M331-A411 PolarHBondContact O-N 2.9Å; M331-A411 VanDerWaalsContact O-N 3.08Å; M331-W412 PolarHBondContact O-N 2.84Å; M331-D413 PolarHBondContact O-N 3.06Å; M331-F468 HydrophobicContact CB-CB 4.02Å; M331-F468 WeakPolarHBondContact CB-O 3.38Å; M331-F468 HydrophobicContact CE-CB 4.06Å; M331-F468 PolarHBondContact N-O 3.29Å; M331-E470 HydrophobicContact CE-CG 3.71Å; M331-E470 HydrophobicContact SD-CG 4.45Å
332	G	89.8	Confident	86	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174	-174.6	-177.9	0	0	0	0	0	112.1	S408 N409 F468	G332-S408 CarbonylContact C-O 3.5Å; G332-S408 VanDerWaalsContact CA-O 3.24Å; G332-S408 WeakPolarHBondContact CA-O 3.46Å; G332-N409 WeakPolarHBondContact CA-O 3.44Å; G332-N409 PolarHBondContact N-O 3.11Å; G332-F468 PolarHBondContact O-N 2.85Å
333	C	90.4	Very high	86	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.2	173	61.3	0	0	0	0	112.1	L336 I388 V407 S408 W412 M466 L467	C333-L336 HydrophobicContact CB-CD2 4.49Å; C333-I388 WeakPolarHBondContact SG-CD1 3.41Å; C333-V407 WeakPolarHBondContact O-CG1 3.1Å; C333-S408 PolarHBondContact N-O 3.5Å; C333-S408 CarbonylContact O-C 3.58Å; C333-S408 VanDerWaalsContact O-C 3.27Å; C333-S408 PolarHBondContact O-N 2.83Å; C333-W412 VanDerWaalsContact SG-CH2 3.59Å; C333-M466 CarbonylContact C-O 3.59Å; C333-M466 WeakPolarHBondContact CA-O 3.39Å; C333-M466 WeakPolarHBondContact CB-O 3.44Å; C333-L467 HydrophobicContact CB-CB 4.3Å; C333-L467 HydrophobicContact CB-CD1 4.1Å
334	Q	90.6	Very high	85.4	Confident	57 Å²	57	38.6 Å²	38.6	27%	0.266	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	171.8	-177.6	64.7	179.1	67.4	0	0	111.5	L336 G465 M466 F468	Q334-L336 PolarHBondContact O-N 2.71Å; Q334-L336 VanDerWaalsContact O-N 3.13Å; Q334-G465 WeakPolarHBondContact O-CA 3.05Å; Q334-M466 HydrophobicContact CG-CB 4.05Å; Q334-M466 HydrophobicContact CG-CE 4.29Å; Q334-M466 PolarHBondContact N-O 2.79Å; Q334-M466 PolarHBondContact O-N 3.41Å; Q334-F468 HydrophobicContact CG-CE2 3.81Å; Q334-F468 HydrophobicContact CG-CZ 4.22Å; Q334-F468 VanDerWaalsContact OE1-CE2 3.31Å
335	D	88.2	Confident	84.5	Confident	88 Å²	88	43.6 Å²	43.6	47%	0.471	24%	0.238	S	C	.	.	S	Bend	trans	55.4	31.1	173.2	-50.1	-40.3	0	0	0	114.2	Q464 G465 M466	D335-Q464 PolarHBondContact O-NE2 2.94Å; D335-G465 VanDerWaalsContact O-CA 3.3Å; D335-G465 WeakPolarHBondContact O-CA 3.34Å; D335-M466 WeakPolarHBondContact OD2-CE 3.18Å
336	L	89.7	Confident	83.3	Confident	11 Å²	11	46 Å²	46	6%	0.058	26%	0.262	C	S	.	.			trans	-67.3	151.2	179.9	-63.4	177.3	0	0	0	112.6	C333 Q334 E338 I388 V407 V430 W432 A440 L461	C333-L336 HydrophobicContact CB-CD2 4.49Å; Q334-L336 PolarHBondContact O-N 2.71Å; Q334-L336 VanDerWaalsContact O-N 3.13Å; L336-E338 PolarHBondContact O-N 2.74Å; L336-I388 HydrophobicContact CD1-CD1 4.18Å; L336-I388 HydrophobicContact CD1-CG2 3.81Å; L336-V407 HydrophobicContact CD1-CG2 4.34Å; L336-V430 HydrophobicContact CD1-CG1 3.96Å; L336-V430 HydrophobicContact CD2-CG1 4.22Å; L336-W432 HydrophobicContact CB-CZ2 3.93Å; L336-W432 HydrophobicContact CD1-CZ2 4.35Å; L336-A440 HydrophobicContact CD2-CB 4.19Å; L336-L461 HydrophobicContact CD2-CD1 3.7Å
337	L	87.4	Confident	81.8	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.031	29%	0.291	C	S	.	.			trans	-63.8	116.5	175.1	-169.6	67.8	0	0	0	112.1	L266 Y269 V340 W432 P463 Q464	L266-L337 HydrophobicContact CD2-CD2 4.3Å; Y269-L337 HydrophobicContact CE1-CD1 4.4Å; L337-V340 HydrophobicContact CD2-CG2 4.44Å; L337-V340 HydrophobicContact CG-CG2 4.47Å; L337-W432 PolarHBondContact O-NE1 3.46Å; L337-P463 HydrophobicContact CD2-CG 3.81Å; L337-Q464 HydrophobicContact CB-CB 4.32Å
338	E	83.4	Confident	80.4	Confident	114 Å²	114	53 Å²	53	53%	0.533	32%	0.315	S	S	.	.	S	Bend	trans	-82.4	-42.6	174.1	-62.8	-168.1	152	0	0	112.5	L336 V340 W432 R436	L336-E338 PolarHBondContact O-N 2.74Å; E338-V340 PolarHBondContact O-N 2.87Å; E338-W432 HydrophobicContact CG-CZ2 4.34Å; E338-R436 WeakPolarHBondContact O-CD 3.35Å
339	N	83.6	Confident	79	Confident	137 Å²	137	54.1 Å²	54.1	73%	0.733	32%	0.323	S	S	*	.	S	Bend	trans	-92.5	72.2	-177.5	-70.5	-53	0	0	0	110.9	P341	N339-P341 WeakPolarHBondContact O-CD 3.46Å
340	V	83.9	Confident	77.6	Confident	9 Å²	9	55.5 Å²	55.5	6%	0.055	34%	0.342	C	S	.	.			trans	-70.9	123.9	-174.3	-174	0	0	0	0	111.9	L266 L337 E338 R343 R436 C439	L266-V340 HydrophobicContact CD2-CG1 3.96Å; L337-V340 HydrophobicContact CD2-CG2 4.44Å; L337-V340 HydrophobicContact CG-CG2 4.47Å; E338-V340 PolarHBondContact O-N 2.87Å; V340-R343 HydrophobicContact CB-CG 3.68Å; V340-R343 HydrophobicContact CG1-CG 3.56Å; V340-R343 WeakPolarHBondContact O-CG 3.5Å; V340-R436 HydrophobicContact CG2-CB 4.03Å; V340-R436 HydrophobicContact CG2-CG 4.5Å; V340-C439 HydrophobicContact CG2-CB 3.59Å
341	P	79.6	Confident	76.5	Confident	34 Å²	34	58.5 Å²	58.5	22%	0.221	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	149.9	177.3	-27.1	34.6	0	0	0	113.9	D265 Y269 N339 R343	D265-P341 HydrophobicContact CB-CB 4.34Å; Y269-P341 HydrophobicContact CD2-CG 3.57Å; Y269-P341 HydrophobicContact CE2-CG 4.27Å; Y269-P341 HydrophobicContact CG-CG 3.85Å; N339-P341 WeakPolarHBondContact O-CD 3.46Å; P341-R343 PolarHBondContact O-N 2.77Å; P341-R343 PolarHBondContact O-NH1 2.83Å
342	G	73.1	Confident	75.1	Confident	71 Å²	71	58.4 Å²	58.4	73%	0.732	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-1.1	177.3	0	0	0	0	0	115.9
343	R	80.9	Confident	73.3	Confident	33 Å²	33	61.9 Å²	61.9	13%	0.125	40%	0.395	C	S	.	.			trans	-93	149.6	179	-48.4	-58.9	173.8	-99	-11.2	111.6	Q262 D265 V340 P341 W435 R436 L438	Q262-R343 PolarHBondContact O-NH2 3.15Å; D265-R343 IonicContact OD2-CZ 3.15Å; D265-R343 IonicContact OD2-NH1 3.61Å; D265-R343 PolarHBondContact OD2-NH1 2.75Å; V340-R343 HydrophobicContact CB-CG 3.68Å; V340-R343 HydrophobicContact CG1-CG 3.56Å; V340-R343 WeakPolarHBondContact O-CG 3.5Å; P341-R343 PolarHBondContact O-N 2.77Å; P341-R343 PolarHBondContact O-NH1 2.83Å; R343-W435 HydrophobicContact CB-CE3 3.87Å; R343-W435 HydrophobicContact CB-CZ3 3.73Å; R343-R436 WeakPolarHBondContact CD-O 3.35Å; R343-R436 WeakPolarHBondContact CG-O 3.47Å; R343-R436 PolarHBondContact NE-O 2.71Å; R343-L438 PolarHBondContact NH2-O 3.13Å
344	S	68.3	Low	71.4	Confident	60 Å²	60	69.5 Å²	69.5	42%	0.42	42%	0.424	S	S	.	.			trans	-149.7	147.9	170.3	74.6	0	0	0	0	112.2	A346 A347	S344-A346 PolarHBondContact O-N 3.41Å; S344-A347 PolarHBondContact O-N 2.92Å
345	K	63.7	Low	69	Low	124 Å²	124	68.9 Å²	68.9	54%	0.539	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.7	176.5	-69.1	-174	169.3	-169.5	0	114	E382 W435	K345-E382 IonicContact NZ-OE2 2.87Å; K345-E382 PolarHBondContact NZ-OE2 3.33Å; K345-W435 HydrophobicContact CG-CD2 3.95Å; K345-W435 HydrophobicContact CG-CE3 4.48Å; K345-W435 HydrophobicContact CG-CG 4.17Å; K345-W435 HydrophobicContact CG-CZ2 4.39Å
346	A	58.1	Low	66.5	Low	95 Å²	95	70.1 Å²	70.1	79%	0.785	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-16.1	-176.7	0	0	0	0	0	114.3	S344	S344-A346 PolarHBondContact O-N 3.41Å
347	A	56	Low	64	Low	72 Å²	72	74.5 Å²	74.5	60%	0.595	47%	0.47	S	S	*	.	S	Bend	trans	-138.1	72.5	-174.7	0	0	0	0	0	111.5	S344 S349	S344-A347 PolarHBondContact O-N 2.92Å; A347-S349 PolarHBondContact O-N 3.16Å
348	P	58.1	Low	61.7	Low	96 Å²	96	79.6 Å²	79.6	62%	0.623	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-65.3	122.9	178.6	27.2	-34.4	0	0	0	111.2
349	S	60.7	Low	59.3	Low	23 Å²	23	79.9 Å²	79.9	16%	0.161	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-74.8	152.3	173.2	50	0	0	0	0	112	Q262 A347 L351 S437	Q262-S349 PolarHBondContact NE2-OG 3.3Å; A347-S349 PolarHBondContact O-N 3.16Å; S349-L351 PolarHBondContact O-N 2.67Å; S349-S437 WeakPolarHBondContact OG-CB 3.44Å; S349-S437 PolarHBondContact OG-OG 3.36Å; S349-S437 VanDerWaalsContact OG-OG 3.08Å
350	P	62.7	Low	57	Low	105 Å²	105	84.9 Å²	84.9	68%	0.682	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-64.1	129.9	171.7	27.8	-34.2	0	0	0	110.6
351	L	68.2	Low	54.7	Low	64 Å²	64	89 Å²	89	34%	0.335	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-72.1	154.5	173.2	-64.6	178.6	0	0	0	111.2	S349 G353 W404 W432 R433	S349-L351 PolarHBondContact O-N 2.67Å; L351-G353 PolarHBondContact O-N 2.94Å; L351-W404 HydrophobicContact CB-CZ2 4.23Å; L351-W404 HydrophobicContact CD1-CH2 4.15Å; L351-W404 HydrophobicContact CD1-CZ2 4.07Å; L351-W404 HydrophobicContact CD2-CH2 4.22Å; L351-W432 WeakPolarHBondContact CD2-O 3.38Å; L351-R433 HydrophobicContact CD1-CG 3.98Å
352	P	60.1	Low	52.3	Low	28 Å²	28	92.3 Å²	92.3	18%	0.182	57%	0.565	C	S	.	*	P	Polyproline II helix	trans	-59.8	118.7	176.2	23.3	-34	0	0	0	111.4	V391 Q401 W404 Y431	P352-V391 HydrophobicContact CB-CG2 3.85Å; P352-V391 HydrophobicContact CG-CG2 3.9Å; P352-Q401 PolarHBondContact O-NE2 2.92Å; P352-Q401 VanDerWaalsContact O-NE2 3.16Å; P352-Q401 PolarHBondContact O-OE1 3.45Å; P352-W404 HydrophobicContact CG-CZ2 4.49Å; P352-Y431 HydrophobicContact CG-CD1 3.86Å; P352-Y431 HydrophobicContact CG-CD2 3.87Å; P352-Y431 HydrophobicContact CG-CE1 3.97Å; P352-Y431 HydrophobicContact CG-CE2 3.99Å; P352-Y431 HydrophobicContact CG-CG 3.83Å
353	G	53.5	Low	50.5	Low	73 Å²	73	98.6 Å²	98.6	75%	0.753	57%	0.573	S	S	*	*			trans	-99.9	45.3	-171	0	0	0	0	0	114.8	L351	L351-G353 PolarHBondContact O-N 2.94Å
354	W	50.3	Low	48.4	Very low	160 Å²	160	105 Å²	105	61%	0.606	61%	0.608	S	S	*	*			trans	-113.2	56	-179.3	-88.2	56.9	0	0	0	111.8	P356 V398 Q401	W354-P356 WeakPolarHBondContact O-CD 3.45Å; W354-V398 HydrophobicContact CB-CG1 4.46Å; W354-V398 HydrophobicContact CD2-CB 4.3Å; W354-V398 HydrophobicContact CD2-CG1 3.79Å; W354-V398 HydrophobicContact CE3-CB 4.27Å; W354-V398 HydrophobicContact CE3-CG1 3.66Å; W354-V398 HydrophobicContact CG-CG1 4.15Å; W354-V398 HydrophobicContact CH2-CB 4.46Å; W354-V398 HydrophobicContact CZ2-CB 4.5Å; W354-V398 HydrophobicContact CZ3-CB 4.35Å; W354-V398 HydrophobicContact CZ3-CG1 4.14Å; W354-V398 WeakPolarHBondContact CZ3-O 3.31Å; W354-Q401 VanDerWaalsContact CA-OE1 3.32Å; W354-Q401 HydrophobicContact CB-CB 4.46Å; W354-Q401 PolarHBondContact O-OE1 3.14Å
355	S	39.2	Very low	46.7	Very low	43 Å²	43	107.7 Å²	107.7	30%	0.301	63%	0.627	S	S	.	*			trans	-86.9	117.9	171.9	178.5	0	0	0	0	111.5	S357 E358	S355-S357 PolarHBondContact O-N 2.93Å; S355-S357 PolarHBondContact OG-N 2.78Å; S355-S357 PolarHBondContact OG-OG 2.94Å; S355-E358 PolarHBondContact OG-N 3.18Å
356	P	36.5	Very low	45.4	Very low	114 Å²	114	114.4 Å²	114.4	74%	0.74	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-19	174.7	-22.5	35	0	0	0	113.9	W354	W354-P356 WeakPolarHBondContact O-CD 3.45Å
357	S	37.6	Very low	44.2	Very low	104 Å²	104	114 Å²	114	73%	0.727	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-8.9	-169.7	52.4	0	0	0	0	115.4	S355	S355-S357 PolarHBondContact O-N 2.93Å; S355-S357 PolarHBondContact OG-N 2.78Å; S355-S357 PolarHBondContact OG-OG 2.94Å
358	E	39	Very low	43.2	Very low	112 Å²	112	117.6 Å²	117.6	52%	0.523	65%	0.654	S	S	.	*			trans	-93.7	15.7	-179.4	-70.7	-166.9	140.8	0	0	114.8	S355 R360	S355-E358 PolarHBondContact OG-N 3.18Å; E358-R360 PolarHBondContact O-N 3.43Å
359	T	32.5	Very low	42.2	Very low	120 Å²	120	124.9 Å²	124.9	74%	0.736	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	16.2	-178.3	50.5	0	0	0	0	115.4
360	R	34.9	Very low	41	Very low	243 Å²	243	131 Å²	131	92%	0.917	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141	22.6	-174.7	-80.1	-166.1	166.5	-168.5	-3.4	116.9	E358	E358-R360 PolarHBondContact O-N 3.43Å
361	S	35	Very low	39.6	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	71%	0.713	S	S	*	*	S	Bend	trans	-141.1	21.3	-174.4	49.7	0	0	0	0	117.8
362	S	30.4	Very low	37.9	Very low	103 Å²	103	138 Å²	138	72%	0.72	73%	0.73	S	S	*	*			trans	-131.3	11.8	-178.1	57	0	0	0	0	117.1
363	F	34.6	Very low	36.7	Very low	202 Å²	202	143.9 Å²	143.9	89%	0.886	77%	0.765	S	S	*	*	S	Bend	trans	-114.1	85.7	171.4	-75.2	-81.8	0	0	0	112.5
364	I	36.8	Very low	35.6	Very low	167 Å²	167	145.6 Å²	145.6	86%	0.856	77%	0.765	S	S	*	*			trans	169	118.1	148.3	-89.6	151.9	0	0	0	107.5
365	S	32.9	Very low	35.1	Very low	117 Å²	117	143.4 Å²	143.4	82%	0.818	77%	0.774	S	S	*	*			trans	160.2	22.6	155.5	52.2	0	0	0	0	115.8	A367	S365-A367 VanDerWaalsContact C-N 3.35Å; S365-A367 PolarHBondContact O-N 3Å
366	R	36.5	Very low	34.9	Very low	266 Å²	266	152.7 Å²	152.7	100%	1.004	80%	0.802	S	S	*	*			trans	-90.8	69.4	163	-90.8	-171.3	171.3	177	-0.6	112.2
367	A	32.9	Very low	35.1	Very low	85 Å²	85	154.8 Å²	154.8	70%	0.702	81%	0.807	S	S	*	*			trans	-136.9	109.7	169.6	0	0	0	0	0	111.2	S365	S365-A367 VanDerWaalsContact C-N 3.35Å; S365-A367 PolarHBondContact O-N 3Å
368	N	35.6	Very low	34.9	Very low	149 Å²	149	156.7 Å²	156.7	80%	0.797	81%	0.809	S	S	*	*			trans	51.2	104.7	150.1	-163.3	15.5	0	0	0	119.4
369	R	35.3	Very low	35.2	Very low	248 Å²	248	158.1 Å²	158.1	94%	0.936	83%	0.825	S	S	*	*			trans	-136.4	103.5	150.1	-78.3	-161.6	175.9	-167.4	-0.2	111.7
370	N	35.4	Very low	35.4	Very low	151 Å²	151	160.9 Å²	160.9	81%	0.807	83%	0.827	S	S	*	*			trans	-125.1	85.4	165.8	-159	16.8	0	0	0	109.6
371	R	33.6	Very low	35.7	Very low	251 Å²	251	153.8 Å²	153.8	95%	0.947	81%	0.814	S	S	*	*			trans	-179	146.6	162.3	-104.4	168.4	-173.5	-169.3	1.3	109.4
372	G	32.8	Very low	36.8	Very low	67 Å²	67	156.6 Å²	156.6	69%	0.691	82%	0.817	S	S	*	*			trans	-107.7	-162.1	-175.3	0	0	0	0	0	114.6
373	V	34.3	Very low	38	Very low	151 Å²	151	159.4 Å²	159.4	92%	0.915	82%	0.819	S	S	*	*			trans	70.8	128.2	-175.1	-171.3	0	0	0	0	111.6
374	S	30.8	Very low	39.8	Very low	109 Å²	109	153.9 Å²	153.9	76%	0.762	80%	0.798	S	S	*	*			cis	-145	158.8	22.2	-151	0	0	0	0	113.2	R376	S374-R376 PolarHBondContact O-N 3.18Å
375	S	40.4	Very low	41.8	Very low	113 Å²	113	147.2 Å²	147.2	79%	0.79	77%	0.766	S	S	*	*			trans	-73	122.9	172.5	-53.5	0	0	0	0	111.7
376	R	34.9	Very low	44.3	Very low	239 Å²	239	146.8 Å²	146.8	90%	0.902	76%	0.755	S	S	*	*			trans	-137.9	126.6	155.5	-84.2	-167.9	168.3	179.8	-3.9	109.5	S374 L378	S374-R376 PolarHBondContact O-N 3.18Å; R376-L378 PolarHBondContact O-N 2.92Å
377	N	40.8	Very low	46.8	Very low	158 Å²	158	137 Å²	137	85%	0.845	72%	0.72	S	S	*	*			trans	-64.3	131.3	176.6	-60.6	-14.1	0	0	0	109.4
378	L	33.4	Very low	49.7	Very low	144 Å²	144	132.9 Å²	132.9	75%	0.754	69%	0.687	S	S	*	*			trans	-133.1	82.3	160.7	-171	68.5	0	0	0	108.5	R376 K380	R376-L378 PolarHBondContact O-N 2.92Å; L378-K380 HydrophobicContact CD2-CD 4.45Å; L378-K380 HydrophobicContact CG-CG 4.49Å; L378-K380 PolarHBondContact O-N 3.43Å
379	T	44.8	Very low	52.5	Low	142 Å²	142	125.8 Å²	125.8	87%	0.871	65%	0.649	S	S	*	*			trans	-60	101.9	161.2	45.3	0	0	0	0	108
380	K	38.1	Very low	55.3	Low	178 Å²	178	114 Å²	114	77%	0.774	60%	0.604	S	S	*	*			trans	-109.6	134.2	168.8	-116.7	-171.7	171.8	-164.6	0	107.4	L378 E382	L378-K380 HydrophobicContact CD2-CD 4.45Å; L378-K380 HydrophobicContact CG-CG 4.49Å; L378-K380 PolarHBondContact O-N 3.43Å; K380-E382 PolarHBondContact O-N 3Å
381	S	41.1	Very low	58.1	Low	93 Å²	93	107 Å²	107	65%	0.65	57%	0.567	S	S	*	*			trans	-54	135.3	-170.2	-53.5	0	0	0	0	112.9	E383	S381-E383 PolarHBondContact O-N 3.11Å
382	E	56.7	Low	61	Low	156 Å²	156	95 Å²	95	73%	0.729	52%	0.521	S	S	*	.			trans	-77.4	60.5	170.5	-59.2	-172.5	161.3	0	0	110.7	K345 K380	K345-E382 IonicContact NZ-OE2 2.87Å; K345-E382 PolarHBondContact NZ-OE2 3.33Å; K380-E382 PolarHBondContact O-N 3Å
383	E	56.9	Low	63.8	Low	162 Å²	162	92.1 Å²	92.1	76%	0.757	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-69.9	132.1	180	-76.1	165.5	-179.1	0	0	110.6	S381	S381-E383 PolarHBondContact O-N 3.11Å
384	L	70.7	Confident	66.4	Low	86 Å²	86	85.4 Å²	85.4	45%	0.45	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-63.1	141.5	170.1	-69.2	169.3	0	0	0	108.8	N386 W435	L384-N386 PolarHBondContact O-N 3.49Å; L384-W435 HydrophobicContact CD2-CZ2 4.31Å
385	S	79.1	Confident	68.8	Low	27 Å²	27	83.4 Å²	83.4	19%	0.189	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-83.2	117.1	177.5	-170.2	0	0	0	0	109.9	E387 W432 D434 R436	S385-E387 PolarHBondContact O-N 3.19Å; S385-E387 PolarHBondContact OG-N 3.26Å; S385-W432 VanDerWaalsContact O-CE3 3.31Å; S385-D434 PolarHBondContact N-OD2 2.84Å; S385-R436 PolarHBondContact O-NH2 3.36Å
386	N	85.4	Confident	70.7	Confident	108 Å²	108	82.5 Å²	82.5	58%	0.578	42%	0.416	S	S	*	.			trans	-75.9	2.7	171.9	-70.3	0.1	0	0	0	112.4	L384 P406 V407	L384-N386 PolarHBondContact O-N 3.49Å; N386-P406 VanDerWaalsContact O-CA 3.28Å; N386-P406 WeakPolarHBondContact O-CA 3.25Å; N386-V407 PolarHBondContact O-N 3.43Å
387	E	90.8	Very high	73.1	Confident	59 Å²	59	75.5 Å²	75.5	28%	0.276	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.7	178.1	-63.9	-176.2	142.6	0	0	113.1	S385 K405 R433	S385-E387 PolarHBondContact O-N 3.19Å; S385-E387 PolarHBondContact OG-N 3.26Å; E387-K405 CarbonylContact C-O 3.27Å; E387-K405 VanDerWaalsContact CA-O 3.3Å; E387-K405 WeakPolarHBondContact CA-O 3.31Å; E387-R433 HydrophobicContact CB-CB 3.98Å; E387-R433 WeakPolarHBondContact O-CB 3.42Å; E387-R433 PolarHBondContact O-N 3.03Å; E387-R433 IonicContact OE1-NH1 3.12Å; E387-R433 WeakPolarHBondContact OE2-CD 3.28Å; E387-R433 IonicContact OE2-CZ 2.84Å; E387-R433 IonicContact OE2-NE 3.32Å; E387-R433 IonicContact OE2-NH1 3.98Å; E387-R433 PolarHBondContact OE2-NH1 3.29Å
388	I	92.9	Very high	75.4	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.8	-177.9	52.3	160.8	0	0	0	112.5	C333 L336 W404 K405 V407 A411 W412 Y431 W432	C333-I388 WeakPolarHBondContact SG-CD1 3.41Å; L336-I388 HydrophobicContact CD1-CD1 4.18Å; L336-I388 HydrophobicContact CD1-CG2 3.81Å; I388-W404 VanDerWaalsContact C-CE3 3.49Å; I388-W404 WeakPolarHBondContact O-CA 3.47Å; I388-K405 WeakPolarHBondContact CG1-O 3.45Å; I388-K405 PolarHBondContact N-O 3.48Å; I388-K405 PolarHBondContact O-N 3.43Å; I388-V407 HydrophobicContact CD1-CB 4.37Å; I388-V407 HydrophobicContact CD1-CG2 4.02Å; I388-V407 HydrophobicContact CG1-CG2 4.1Å; I388-V407 HydrophobicContact CG2-CG2 3.76Å; I388-A411 HydrophobicContact CD1-CB 4.5Å; I388-W412 HydrophobicContact CB-CZ2 4.29Å; I388-W412 HydrophobicContact CD1-CH2 3.84Å; I388-W412 HydrophobicContact CD1-CZ2 3.56Å; I388-W412 HydrophobicContact CG1-CZ2 3.83Å; I388-W412 PolarHBondContact O-NE1 2.98Å; I388-Y431 VanDerWaalsContact CA-O 3.22Å; I388-Y431 WeakPolarHBondContact CA-O 3.49Å; I388-W432 HydrophobicContact CG2-CD2 4Å; I388-W432 HydrophobicContact CG2-CE3 3.48Å; I388-W432 VanDerWaalsContact CG2-CE3 3.48Å; I388-W432 HydrophobicContact CG2-CZ3 3.79Å
389	S	94.1	Very high	78	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	141	173.7	175.5	0	0	0	0	109	Q401 T402 W404 Y431	S389-Q401 WeakPolarHBondContact OG-CG 3.25Å; S389-Q401 PolarHBondContact OG-NE2 3.28Å; S389-Q401 VanDerWaalsContact OG-NE2 3.1Å; S389-T402 PolarHBondContact OG-O 2.9Å; S389-W404 VanDerWaalsContact CB-CE3 3.43Å; S389-Y431 PolarHBondContact N-O 2.94Å; S389-Y431 PolarHBondContact O-N 3.08Å
390	A	94.4	Very high	80.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.3	174.8	0	0	0	0	0	109.8	L330 Q401 T402 W412 I428 S429 V430	L330-A390 HydrophobicContact CD1-CB 3.77Å; A390-Q401 CarbonylContact O-C 3.59Å; A390-Q401 VanDerWaalsContact O-CA 3.31Å; A390-Q401 WeakPolarHBondContact O-CA 3.4Å; A390-T402 HydrophobicContact CB-CG2 4.21Å; A390-T402 PolarHBondContact N-OG1 2.94Å; A390-T402 PolarHBondContact O-N 3.37Å; A390-W412 HydrophobicContact CB-CH2 3.66Å; A390-W412 HydrophobicContact CB-CZ2 4.04Å; A390-W412 HydrophobicContact CB-CZ3 4.04Å; A390-I428 HydrophobicContact CB-CG2 4.39Å; A390-S429 CarbonylContact C-O 3.53Å; A390-S429 WeakPolarHBondContact CA-O 3.41Å; A390-V430 HydrophobicContact CB-CG2 4.36Å
391	V	94.2	Very high	82.7	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.7	177	-179.2	0	0	0	0	108.4	P352 K393 V398 G400 Q401 I428 S429 Y431	P352-V391 HydrophobicContact CB-CG2 3.85Å; P352-V391 HydrophobicContact CG-CG2 3.9Å; V391-K393 HydrophobicContact CG1-CG 4.28Å; V391-V398 HydrophobicContact CG1-CG1 3.86Å; V391-V398 HydrophobicContact CG1-CG2 4.14Å; V391-G400 WeakPolarHBondContact CA-O 3.28Å; V391-Q401 HydrophobicContact CG2-CB 4.39Å; V391-Q401 HydrophobicContact CG2-CG 3.97Å; V391-I428 WeakPolarHBondContact O-CA 3.47Å; V391-S429 PolarHBondContact N-O 3.42Å; V391-S429 PolarHBondContact O-N 3.35Å; V391-Y431 HydrophobicContact CB-CE2 4.07Å; V391-Y431 HydrophobicContact CG2-CD2 3.98Å; V391-Y431 HydrophobicContact CG2-CE2 3.63Å
392	L	94.1	Very high	85.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.1	175.6	-63.2	81.9	0	0	0	109	V328 L330 V399 G400 F416 L418 L426 E427	V328-L392 HydrophobicContact CB-CD2 3.94Å; V328-L392 HydrophobicContact CG1-CD2 3.71Å; V328-L392 HydrophobicContact CG2-CD2 4.44Å; L330-L392 HydrophobicContact CD1-CD1 3.73Å; L330-L392 HydrophobicContact CD1-CG 4.27Å; L392-V399 HydrophobicContact CB-CG2 4.2Å; L392-V399 PolarHBondContact O-N 3Å; L392-G400 PolarHBondContact N-O 3.32Å; L392-G400 PolarHBondContact O-N 3.28Å; L392-F416 HydrophobicContact CD1-CD2 3.82Å; L392-F416 HydrophobicContact CD1-CE1 4.42Å; L392-F416 HydrophobicContact CD1-CE2 3.63Å; L392-F416 HydrophobicContact CD1-CG 4.31Å; L392-F416 HydrophobicContact CD1-CZ 3.96Å; L392-F416 HydrophobicContact CD2-CB 4.34Å; L392-F416 HydrophobicContact CD2-CD2 3.85Å; L392-F416 HydrophobicContact CD2-CE2 4.47Å; L392-F416 HydrophobicContact CD2-CG 4.16Å; L392-L418 HydrophobicContact CD2-CD1 4.4Å; L392-L426 HydrophobicContact CB-CD1 4.22Å; L392-E427 WeakPolarHBondContact CA-O 3.38Å
393	K	91.4	Very high	86.8	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.7	173.2	-41.1	-168.2	-176.6	-170.4	0	112.3	E259 V391 T397 V398 L426 E427	E259-K393 IonicContact OE1-NZ 3.73Å; E259-K393 PolarHBondContact OE1-NZ 3.48Å; E259-K393 IonicContact OE2-NZ 2.8Å; E259-K393 PolarHBondContact OE2-NZ 2.94Å; V391-K393 HydrophobicContact CG1-CG 4.28Å; K393-T397 CarbonylContact C-O 3.56Å; K393-T397 WeakPolarHBondContact CA-O 3.36Å; K393-T397 WeakPolarHBondContact CB-O 3.45Å; K393-V398 HydrophobicContact CD-CG2 4.08Å; K393-V398 HydrophobicContact CG-CG2 4.15Å; K393-L426 CarbonylContact O-C 3.59Å; K393-L426 WeakPolarHBondContact O-CA 3.5Å; K393-L426 WeakPolarHBondContact O-CD1 3.48Å; K393-E427 HydrophobicContact CB-CB 4.13Å; K393-E427 WeakPolarHBondContact CD-OE1 3.47Å; K393-E427 VanDerWaalsContact CE-OE1 3.31Å; K393-E427 WeakPolarHBondContact CE-OE1 3.44Å; K393-E427 PolarHBondContact N-O 3.36Å; K393-E427 PolarHBondContact O-N 3.13Å
394	L	88.3	Confident	88.5	Confident	11 Å²	11	36.3 Å²	36.3	6%	0.058	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.6	168.2	-71.6	167.7	0	0	0	108.2	N396 T397 V399 L418 L420 L426 L446	L394-N396 VanDerWaalsContact C-N 3.31Å; L394-N396 PolarHBondContact O-N 2.93Å; L394-T397 PolarHBondContact N-O 3.26Å; L394-T397 WeakPolarHBondContact O-CB 3.39Å; L394-T397 PolarHBondContact O-N 2.89Å; L394-V399 HydrophobicContact CB-CG1 4.34Å; L394-V399 HydrophobicContact CD1-CG1 4.21Å; L394-V399 HydrophobicContact CD1-CG2 4.11Å; L394-V399 HydrophobicContact CG-CG1 4.48Å; L394-V399 HydrophobicContact CG-CG2 4.03Å; L394-L418 HydrophobicContact CD1-CB 4.06Å; L394-L418 HydrophobicContact CD1-CD1 4.13Å; L394-L420 HydrophobicContact CD1-CD2 3.4Å; L394-L420 VanDerWaalsContact CD1-CD2 3.4Å; L394-L420 HydrophobicContact CD2-CD2 3.69Å; L394-L420 HydrophobicContact CG-CD2 4.21Å; L394-L426 HydrophobicContact CD2-CB 4.05Å; L394-L426 HydrophobicContact CD2-CD1 4.18Å; L394-L426 HydrophobicContact CG-CD1 4.5Å; L394-L446 HydrophobicContact CD2-CD1 3.96Å
395	D	81.9	Confident	89.4	Confident	67 Å²	67	36.5 Å²	36.5	36%	0.358	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	52.9	180	-55.2	-61.6	0	0	0	112.8	T397 S423 R424 E425	D395-T397 PolarHBondContact O-N 3.29Å; D395-S423 WeakPolarHBondContact OD2-CA 3.39Å; D395-S423 VanDerWaalsContact OD2-CB 3.23Å; D395-S423 WeakPolarHBondContact OD2-CB 3.41Å; D395-R424 WeakPolarHBondContact OD1-CB 3.18Å; D395-R424 PolarHBondContact OD1-N 3.47Å; D395-R424 PolarHBondContact OD2-N 3.35Å; D395-E425 PolarHBondContact N-O 3.26Å; D395-E425 PolarHBondContact OD1-N 3.11Å
396	N	81	Confident	89.9	Confident	93 Å²	93	38.8 Å²	38.8	50%	0.497	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	-2.3	-174.4	-66.7	-76.3	0	0	0	117.7	L394	L394-N396 VanDerWaalsContact C-N 3.31Å; L394-N396 PolarHBondContact O-N 2.93Å
397	T	85	Confident	90.2	Very high	93 Å²	93	36.1 Å²	36.1	57%	0.571	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.9	175.6	-58.5	0	0	0	0	110.8	K393 L394 D395 V399	K393-T397 CarbonylContact C-O 3.56Å; K393-T397 WeakPolarHBondContact CA-O 3.36Å; K393-T397 WeakPolarHBondContact CB-O 3.45Å; L394-T397 PolarHBondContact N-O 3.26Å; L394-T397 WeakPolarHBondContact O-CB 3.39Å; L394-T397 PolarHBondContact O-N 2.89Å; D395-T397 PolarHBondContact O-N 3.29Å; T397-V399 PolarHBondContact O-N 3.46Å
398	V	88.3	Confident	90.1	Very high	31 Å²	31	35.6 Å²	35.6	19%	0.188	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.3	176.8	178.4	0	0	0	0	110.3	W354 V391 K393	W354-V398 HydrophobicContact CB-CG1 4.46Å; W354-V398 HydrophobicContact CD2-CB 4.3Å; W354-V398 HydrophobicContact CD2-CG1 3.79Å; W354-V398 HydrophobicContact CE3-CB 4.27Å; W354-V398 HydrophobicContact CE3-CG1 3.66Å; W354-V398 HydrophobicContact CG-CG1 4.15Å; W354-V398 HydrophobicContact CH2-CB 4.46Å; W354-V398 HydrophobicContact CZ2-CB 4.5Å; W354-V398 HydrophobicContact CZ3-CB 4.35Å; W354-V398 HydrophobicContact CZ3-CG1 4.14Å; W354-V398 WeakPolarHBondContact CZ3-O 3.31Å; V391-V398 HydrophobicContact CG1-CG1 3.86Å; V391-V398 HydrophobicContact CG1-CG2 4.14Å; K393-V398 HydrophobicContact CD-CG2 4.08Å; K393-V398 HydrophobicContact CG-CG2 4.15Å
399	V	89.5	Confident	89.7	Confident	56 Å²	56	39.5 Å²	39.5	34%	0.339	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-13.8	-179	-63.9	0	0	0	0	113.8	L392 L394 T397 L418	L392-V399 HydrophobicContact CB-CG2 4.2Å; L392-V399 PolarHBondContact O-N 3Å; L394-V399 HydrophobicContact CB-CG1 4.34Å; L394-V399 HydrophobicContact CD1-CG1 4.21Å; L394-V399 HydrophobicContact CD1-CG2 4.11Å; L394-V399 HydrophobicContact CG-CG1 4.48Å; L394-V399 HydrophobicContact CG-CG2 4.03Å; T397-V399 PolarHBondContact O-N 3.46Å; V399-L418 HydrophobicContact CB-CD2 3.95Å; V399-L418 HydrophobicContact CG2-CD1 3.96Å; V399-L418 HydrophobicContact CG2-CD2 3.7Å; V399-L418 HydrophobicContact CG2-CG 4.43Å
400	G	89.4	Confident	89.4	Confident	8 Å²	8	44.2 Å²	44.2	8%	0.082	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	156.4	173.8	0	0	0	0	0	113	V391 L392	V391-G400 WeakPolarHBondContact CA-O 3.28Å; L392-G400 PolarHBondContact N-O 3.32Å; L392-G400 PolarHBondContact O-N 3.28Å
401	Q	92.4	Very high	89	Confident	19 Å²	19	44.8 Å²	44.8	9%	0.089	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	135.6	170.6	-180	172.3	2.8	0	0	109.5	P352 W354 S389 A390 V391	P352-Q401 PolarHBondContact O-NE2 2.92Å; P352-Q401 VanDerWaalsContact O-NE2 3.16Å; P352-Q401 PolarHBondContact O-OE1 3.45Å; W354-Q401 VanDerWaalsContact CA-OE1 3.32Å; W354-Q401 HydrophobicContact CB-CB 4.46Å; W354-Q401 PolarHBondContact O-OE1 3.14Å; S389-Q401 WeakPolarHBondContact OG-CG 3.25Å; S389-Q401 PolarHBondContact OG-NE2 3.28Å; S389-Q401 VanDerWaalsContact OG-NE2 3.1Å; A390-Q401 CarbonylContact O-C 3.59Å; A390-Q401 VanDerWaalsContact O-CA 3.31Å; A390-Q401 WeakPolarHBondContact O-CA 3.4Å; V391-Q401 HydrophobicContact CG2-CB 4.39Å; V391-Q401 HydrophobicContact CG2-CG 3.97Å
402	T	93.2	Very high	88.7	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.018	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-82.3	153.8	175.5	66.3	0	0	0	0	112.1	L330 S389 A390 W412 Q414 F416	L330-T402 HydrophobicContact CB-CG2 4.29Å; L330-T402 HydrophobicContact CD1-CG2 3.98Å; S389-T402 PolarHBondContact OG-O 2.9Å; A390-T402 HydrophobicContact CB-CG2 4.21Å; A390-T402 PolarHBondContact N-OG1 2.94Å; A390-T402 PolarHBondContact O-N 3.37Å; T402-W412 HydrophobicContact CG2-CB 4.36Å; T402-W412 HydrophobicContact CG2-CD2 4Å; T402-W412 HydrophobicContact CG2-CE3 4.31Å; T402-W412 HydrophobicContact CG2-CG 4.01Å; T402-W412 PolarHBondContact OG1-NE1 2.68Å; T402-W412 VanDerWaalsContact OG1-NE1 3.09Å; T402-Q414 VanDerWaalsContact CB-OE1 3.26Å; T402-Q414 HydrophobicContact CG2-CB 4.43Å; T402-F416 HydrophobicContact CG2-CE2 3.79Å; T402-F416 HydrophobicContact CG2-CZ 3.73Å
403	S	90.8	Very high	88.4	Confident	44 Å²	44	49 Å²	49	31%	0.308	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-63.2	144.8	174.1	58.4	0	0	0	0	112.1	K405 W412 Q414	S403-K405 WeakPolarHBondContact O-CG 3.3Å; S403-K405 PolarHBondContact O-N 2.93Å; S403-W412 PolarHBondContact O-NE1 3.19Å; S403-Q414 PolarHBondContact OG-NE2 2.94Å; S403-Q414 PolarHBondContact OG-OE1 3.36Å
404	W	90.7	Very high	88.3	Confident	48 Å²	48	51.6 Å²	51.6	18%	0.182	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-60.7	122.2	173.1	-64.8	101.1	0	0	0	111.1	L351 P352 I388 S389 Y431 R433	L351-W404 HydrophobicContact CB-CZ2 4.23Å; L351-W404 HydrophobicContact CD1-CH2 4.15Å; L351-W404 HydrophobicContact CD1-CZ2 4.07Å; L351-W404 HydrophobicContact CD2-CH2 4.22Å; P352-W404 HydrophobicContact CG-CZ2 4.49Å; I388-W404 VanDerWaalsContact C-CE3 3.49Å; I388-W404 WeakPolarHBondContact O-CA 3.47Å; S389-W404 VanDerWaalsContact CB-CE3 3.43Å; W404-Y431 WeakPolarHBondContact CZ3-O 3.26Å; W404-R433 HydrophobicContact CD2-CB 4.13Å; W404-R433 HydrophobicContact CD2-CG 3.71Å; W404-R433 HydrophobicContact CE3-CB 3.46Å; W404-R433 VanDerWaalsContact CE3-CB 3.46Å; W404-R433 HydrophobicContact CE3-CG 3.59Å; W404-R433 HydrophobicContact CG-CG 4.27Å; W404-R433 HydrophobicContact CH2-CB 4.32Å; W404-R433 HydrophobicContact CH2-CG 4.29Å; W404-R433 HydrophobicContact CZ2-CG 4.41Å; W404-R433 HydrophobicContact CZ3-CB 3.58Å; W404-R433 HydrophobicContact CZ3-CG 3.9Å
405	K	90.9	Very high	88.3	Confident	90 Å²	90	57 Å²	57	39%	0.391	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.2	-172.7	-71.9	-74.6	-171.4	162.8	0	111.3	E387 I388 S403 A411	E387-K405 CarbonylContact C-O 3.27Å; E387-K405 VanDerWaalsContact CA-O 3.3Å; E387-K405 WeakPolarHBondContact CA-O 3.31Å; I388-K405 WeakPolarHBondContact CG1-O 3.45Å; I388-K405 PolarHBondContact N-O 3.48Å; I388-K405 PolarHBondContact O-N 3.43Å; S403-K405 WeakPolarHBondContact O-CG 3.3Å; S403-K405 PolarHBondContact O-N 2.93Å; K405-A411 HydrophobicContact CB-CB 4.26Å; K405-A411 VanDerWaalsContact CB-O 3.26Å; K405-A411 WeakPolarHBondContact CB-O 3.36Å; K405-A411 WeakPolarHBondContact CD-O 3.32Å; K405-A411 WeakPolarHBondContact CG-O 3.18Å
406	P	90.1	Very high	88.7	Confident	76 Å²	76	55.4 Å²	55.4	49%	0.494	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	145.4	173.1	-25.9	35.7	0	0	0	113.3	N386 S408 A411	N386-P406 VanDerWaalsContact O-CA 3.28Å; N386-P406 WeakPolarHBondContact O-CA 3.25Å; P406-S408 PolarHBondContact O-N 3.17Å; P406-A411 WeakPolarHBondContact O-CB 3.46Å
407	V	90	Very high	89	Confident	52 Å²	52	55.3 Å²	55.3	32%	0.315	30%	0.3	S	S	.	.	S	Bend	trans	-53.7	127.7	174.8	-176.8	0	0	0	0	110.8	C333 L336 N386 I388 W432	C333-V407 WeakPolarHBondContact O-CG1 3.1Å; L336-V407 HydrophobicContact CD1-CG2 4.34Å; N386-V407 PolarHBondContact O-N 3.43Å; I388-V407 HydrophobicContact CD1-CB 4.37Å; I388-V407 HydrophobicContact CD1-CG2 4.02Å; I388-V407 HydrophobicContact CG1-CG2 4.1Å; I388-V407 HydrophobicContact CG2-CG2 3.76Å; V407-W432 HydrophobicContact CG2-CE3 4.47Å; V407-W432 HydrophobicContact CG2-CH2 3.59Å; V407-W432 HydrophobicContact CG2-CZ3 3.46Å; V407-W432 VanDerWaalsContact CG2-CZ3 3.46Å
408	S	88.8	Confident	89.2	Confident	47 Å²	47	51.4 Å²	51.4	33%	0.329	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-172.1	149.3	-177.5	171.9	0	0	0	0	109.2	G332 C333 P406 Q410 A411	G332-S408 CarbonylContact C-O 3.5Å; G332-S408 VanDerWaalsContact CA-O 3.24Å; G332-S408 WeakPolarHBondContact CA-O 3.46Å; C333-S408 PolarHBondContact N-O 3.5Å; C333-S408 CarbonylContact O-C 3.58Å; C333-S408 VanDerWaalsContact O-C 3.27Å; C333-S408 PolarHBondContact O-N 2.83Å; P406-S408 PolarHBondContact O-N 3.17Å; S408-Q410 PolarHBondContact O-N 3.24Å; S408-Q410 VanDerWaalsContact O-N 3.16Å; S408-Q410 PolarHBondContact OG-N 2.96Å; S408-Q410 VanDerWaalsContact OG-N 3.12Å; S408-A411 WeakPolarHBondContact O-CB 3.39Å; S408-A411 PolarHBondContact O-N 2.76Å; S408-A411 VanDerWaalsContact O-N 3.16Å
409	N	84.9	Confident	89	Confident	82 Å²	82	58.2 Å²	58.2	44%	0.439	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.6	170.9	63.5	0.8	0	0	0	113.5	M331 G332 F468	M331-N409 CarbonylContact C-O 3.53Å; G332-N409 WeakPolarHBondContact CA-O 3.44Å; G332-N409 PolarHBondContact N-O 3.11Å; N409-F468 HydrophobicContact CB-CD2 3.62Å; N409-F468 HydrophobicContact CB-CE2 3.39Å; N409-F468 HydrophobicContact CB-CZ 4.14Å
410	Q	87.6	Confident	88.8	Confident	100 Å²	100	55.9 Å²	55.9	47%	0.467	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	44.1	173.3	-65.3	-65.7	-18.6	0	0	110.7	M331 S408 W412	M331-Q410 CarbonylContact O-C 3.27Å; M331-Q410 VanDerWaalsContact O-C 3.27Å; M331-Q410 WeakPolarHBondContact O-CA 3.09Å; S408-Q410 PolarHBondContact O-N 3.24Å; S408-Q410 VanDerWaalsContact O-N 3.16Å; S408-Q410 PolarHBondContact OG-N 2.96Å; S408-Q410 VanDerWaalsContact OG-N 3.12Å; Q410-W412 PolarHBondContact O-N 3.31Å
411	A	85.9	Confident	88.3	Confident	11 Å²	11	61.4 Å²	61.4	9%	0.091	32%	0.319	C	S	.	.	S	Bend	trans	-62.2	-38.2	-178.3	0	0	0	0	0	113.9	M331 I388 K405 P406 S408	M331-A411 PolarHBondContact O-N 2.9Å; M331-A411 VanDerWaalsContact O-N 3.08Å; I388-A411 HydrophobicContact CD1-CB 4.5Å; K405-A411 HydrophobicContact CB-CB 4.26Å; K405-A411 VanDerWaalsContact CB-O 3.26Å; K405-A411 WeakPolarHBondContact CB-O 3.36Å; K405-A411 WeakPolarHBondContact CD-O 3.32Å; K405-A411 WeakPolarHBondContact CG-O 3.18Å; P406-A411 WeakPolarHBondContact O-CB 3.46Å; S408-A411 WeakPolarHBondContact O-CB 3.39Å; S408-A411 PolarHBondContact O-N 2.76Å; S408-A411 VanDerWaalsContact O-N 3.16Å
412	W	89	Confident	87.7	Confident	17 Å²	17	65.8 Å²	65.8	6%	0.064	33%	0.334	C	S	.	.			trans	-117.1	-51.8	-169	-55.3	-61.7	0	0	0	113.2	L330 M331 C333 I388 A390 T402 S403 Q410 Q414 L467	L330-W412 HydrophobicContact CB-CE3 4.08Å; M331-W412 PolarHBondContact O-N 2.84Å; C333-W412 VanDerWaalsContact SG-CH2 3.59Å; I388-W412 HydrophobicContact CB-CZ2 4.29Å; I388-W412 HydrophobicContact CD1-CH2 3.84Å; I388-W412 HydrophobicContact CD1-CZ2 3.56Å; I388-W412 HydrophobicContact CG1-CZ2 3.83Å; I388-W412 PolarHBondContact O-NE1 2.98Å; A390-W412 HydrophobicContact CB-CH2 3.66Å; A390-W412 HydrophobicContact CB-CZ2 4.04Å; A390-W412 HydrophobicContact CB-CZ3 4.04Å; T402-W412 HydrophobicContact CG2-CB 4.36Å; T402-W412 HydrophobicContact CG2-CD2 4Å; T402-W412 HydrophobicContact CG2-CE3 4.31Å; T402-W412 HydrophobicContact CG2-CG 4.01Å; T402-W412 PolarHBondContact OG1-NE1 2.68Å; T402-W412 VanDerWaalsContact OG1-NE1 3.09Å; S403-W412 PolarHBondContact O-NE1 3.19Å; Q410-W412 PolarHBondContact O-N 3.31Å; W412-Q414 VanDerWaalsContact C-N 3.33Å; W412-Q414 HydrophobicContact CB-CB 4.26Å; W412-Q414 HydrophobicContact CB-CG 4.11Å; W412-Q414 WeakPolarHBondContact O-CG 3.44Å; W412-Q414 PolarHBondContact O-N 2.88Å; W412-L467 HydrophobicContact CZ3-CD1 4Å
413	D	87.9	Confident	87.2	Confident	74 Å²	74	66.1 Å²	66.1	40%	0.396	34%	0.337	S	S	.	.			trans	43.6	52	-161.9	-161.3	20.7	0	0	0	114.2	R329 L330 M331	R329-D413 IonicContact CZ-OD1 3.21Å; R329-D413 IonicContact CZ-OD2 2.72Å; R329-D413 IonicContact NE-OD1 2.91Å; R329-D413 PolarHBondContact NE-OD1 2.83Å; R329-D413 VanDerWaalsContact NH2-CG 3.26Å; R329-D413 IonicContact NH2-OD1 3.82Å; R329-D413 PolarHBondContact NH2-OD1 2.67Å; R329-D413 IonicContact NH2-OD2 2.69Å; R329-D413 PolarHBondContact NH2-OD2 3.21Å; L330-D413 WeakPolarHBondContact O-CA 3.24Å; L330-D413 PolarHBondContact O-N 3.31Å; M331-D413 PolarHBondContact O-N 3.06Å
414	Q	88.1	Confident	86.9	Confident	61 Å²	61	68.1 Å²	68.1	29%	0.285	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.8	-174	-72.9	-176.5	-33.9	0	0	112.5	R329 L330 T402 S403 W412 F416	R329-Q414 CarbonylContact C-O 3.44Å; R329-Q414 WeakPolarHBondContact CA-O 3.4Å; L330-Q414 PolarHBondContact N-O 3.44Å; L330-Q414 PolarHBondContact O-N 3.27Å; T402-Q414 VanDerWaalsContact CB-OE1 3.26Å; T402-Q414 HydrophobicContact CG2-CB 4.43Å; S403-Q414 PolarHBondContact OG-NE2 2.94Å; S403-Q414 PolarHBondContact OG-OE1 3.36Å; W412-Q414 VanDerWaalsContact C-N 3.33Å; W412-Q414 HydrophobicContact CB-CB 4.26Å; W412-Q414 HydrophobicContact CB-CG 4.11Å; W412-Q414 WeakPolarHBondContact O-CG 3.44Å; W412-Q414 PolarHBondContact O-N 2.88Å; Q414-F416 HydrophobicContact CB-CE2 4.2Å; Q414-F416 HydrophobicContact CB-CZ 4.33Å
415	K	88.4	Confident	86.9	Confident	125 Å²	125	67.8 Å²	67.8	54%	0.543	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.9	177	-173.1	179.9	177.5	-176.8	0	111.8	D327 V328 R329	D327-K415 WeakPolarHBondContact OD1-CE 3.22Å; D327-K415 IonicContact OD1-NZ 3.82Å; D327-K415 WeakPolarHBondContact OD2-CE 3.37Å; D327-K415 IonicContact OD2-NZ 3.85Å; D327-K415 PolarHBondContact OD2-NZ 3.29Å; V328-K415 CarbonylContact O-C 3.53Å; V328-K415 WeakPolarHBondContact O-CA 3.49Å; R329-K415 HydrophobicContact CG-CB 4.4Å
416	F	90.6	Very high	86.9	Confident	33 Å²	33	63.5 Å²	63.5	15%	0.145	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.8	172	-54.3	-88.1	0	0	0	108.6	D327 V328 L330 L392 T402 Q414 L418	D327-F416 WeakPolarHBondContact CA-O 3.28Å; V328-F416 PolarHBondContact N-O 3.43Å; V328-F416 PolarHBondContact O-N 2.64Å; L330-F416 HydrophobicContact CG-CE2 4.47Å; L392-F416 HydrophobicContact CD1-CD2 3.82Å; L392-F416 HydrophobicContact CD1-CE1 4.42Å; L392-F416 HydrophobicContact CD1-CE2 3.63Å; L392-F416 HydrophobicContact CD1-CG 4.31Å; L392-F416 HydrophobicContact CD1-CZ 3.96Å; L392-F416 HydrophobicContact CD2-CB 4.34Å; L392-F416 HydrophobicContact CD2-CD2 3.85Å; L392-F416 HydrophobicContact CD2-CE2 4.47Å; L392-F416 HydrophobicContact CD2-CG 4.16Å; T402-F416 HydrophobicContact CG2-CE2 3.79Å; T402-F416 HydrophobicContact CG2-CZ 3.73Å; Q414-F416 HydrophobicContact CB-CE2 4.2Å; Q414-F416 HydrophobicContact CB-CZ 4.33Å; F416-L418 HydrophobicContact CB-CD2 4.09Å; F416-L418 HydrophobicContact CB-CG 4.49Å
417	T	88.6	Confident	87.1	Confident	92 Å²	92	60.1 Å²	60.1	56%	0.564	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.6	171.3	-59.9	0	0	0	0	107	T325 D327	T325-T417 HydrophobicContact CG2-CG2 3.63Å; D327-T417 WeakPolarHBondContact OD1-CA 3.26Å; D327-T417 VanDerWaalsContact OD1-CB 3.29Å; D327-T417 WeakPolarHBondContact OD1-CB 3.21Å; D327-T417 WeakPolarHBondContact OD1-CG2 3.44Å; D327-T417 PolarHBondContact OD1-OG1 2.85Å
418	L	87.9	Confident	87.3	Confident	10 Å²	10	57.7 Å²	57.7	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.6	-170.9	-49.9	177.6	0	0	0	109.4	T325 L326 V328 L392 L394 V399 F416 L426	T325-L418 CarbonylContact C-O 3.56Å; T325-L418 WeakPolarHBondContact CA-O 3.22Å; L326-L418 HydrophobicContact CB-CB 4.37Å; L326-L418 HydrophobicContact CD2-CD1 4.47Å; L326-L418 PolarHBondContact N-O 2.78Å; L326-L418 WeakPolarHBondContact O-CB 3.33Å; L326-L418 PolarHBondContact O-N 2.69Å; V328-L418 HydrophobicContact CG2-CD1 4.01Å; L392-L418 HydrophobicContact CD2-CD1 4.4Å; L394-L418 HydrophobicContact CD1-CB 4.06Å; L394-L418 HydrophobicContact CD1-CD1 4.13Å; V399-L418 HydrophobicContact CB-CD2 3.95Å; V399-L418 HydrophobicContact CG2-CD1 3.96Å; V399-L418 HydrophobicContact CG2-CD2 3.7Å; V399-L418 HydrophobicContact CG2-CG 4.43Å; F416-L418 HydrophobicContact CB-CD2 4.09Å; F416-L418 HydrophobicContact CB-CG 4.49Å; L418-L426 HydrophobicContact CD1-CD1 4.45Å
419	E	84.4	Confident	87.6	Confident	174 Å²	174	55.4 Å²	55.4	81%	0.813	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	124	168.2	-65.6	-175.4	160.3	0	0	108.4
420	L	85.3	Confident	88	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.037	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.8	177.9	-56.5	-177.3	0	0	0	109.1	T323 G324 L326 L394 L446 F473	T323-L420 WeakPolarHBondContact CA-O 3.44Å; T323-L420 WeakPolarHBondContact CG2-O 3.42Å; G324-L420 PolarHBondContact N-O 3.24Å; G324-L420 PolarHBondContact O-N 3.23Å; L326-L420 HydrophobicContact CB-CD1 3.99Å; L326-L420 HydrophobicContact CB-CD2 4.15Å; L326-L420 HydrophobicContact CB-CG 4.06Å; L326-L420 HydrophobicContact CD2-CD2 4.43Å; L394-L420 HydrophobicContact CD1-CD2 3.4Å; L394-L420 VanDerWaalsContact CD1-CD2 3.4Å; L394-L420 HydrophobicContact CD2-CD2 3.69Å; L394-L420 HydrophobicContact CG-CD2 4.21Å; L420-L446 HydrophobicContact CD1-CD1 3.99Å; L420-L446 HydrophobicContact CD2-CD1 4.07Å; L420-F473 HydrophobicContact CD1-CD2 4.36Å; L420-F473 HydrophobicContact CD1-CE1 3.91Å; L420-F473 HydrophobicContact CD1-CE2 3.67Å; L420-F473 HydrophobicContact CD1-CZ 3.41Å; L420-F473 VanDerWaalsContact CD1-CZ 3.41Å
421	D	79.9	Confident	88.2	Confident	125 Å²	125	47.3 Å²	47.3	67%	0.668	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	100.3	172.5	-176	22.9	0	0	0	108.4	S423	D421-S423 PolarHBondContact N-OG 3Å; D421-S423 PolarHBondContact O-N 3.47Å; D421-S423 PolarHBondContact O-OG 3.22Å
422	R	78.3	Confident	88.5	Confident	111 Å²	111	47.1 Å²	47.1	42%	0.419	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.3	21.6	179.8	-49.6	174.2	87.1	-157	8	113.9	A321 L322 T323 E479	A321-R422 HydrophobicContact CB-CB 4.36Å; A321-R422 WeakPolarHBondContact CB-O 3.46Å; L322-R422 CarbonylContact O-C 3.55Å; L322-R422 PolarHBondContact O-N 3.15Å; T323-R422 PolarHBondContact OG1-N 2.91Å; R422-E479 WeakPolarHBondContact CD-OE2 3.2Å; R422-E479 WeakPolarHBondContact CG-OE2 3.42Å; R422-E479 IonicContact CZ-OE1 3.13Å; R422-E479 IonicContact CZ-OE2 3.83Å; R422-E479 VanDerWaalsContact NE-CD 3.26Å; R422-E479 IonicContact NE-OE1 2.73Å; R422-E479 PolarHBondContact NE-OE1 3.02Å; R422-E479 IonicContact NE-OE2 2.7Å; R422-E479 PolarHBondContact NE-OE2 2.96Å; R422-E479 IonicContact NH2-OE1 3.52Å; R422-E479 PolarHBondContact NH2-OE1 2.68Å
423	S	83.1	Confident	88.5	Confident	10 Å²	10	51.2 Å²	51.2	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	155.2	-169.3	-47.6	0	0	0	0	112.5	L322 D395 D421	L322-S423 PolarHBondContact N-O 2.81Å; L322-S423 PolarHBondContact O-N 3.16Å; D395-S423 WeakPolarHBondContact OD2-CA 3.39Å; D395-S423 VanDerWaalsContact OD2-CB 3.23Å; D395-S423 WeakPolarHBondContact OD2-CB 3.41Å; D421-S423 PolarHBondContact N-OG 3Å; D421-S423 PolarHBondContact O-N 3.47Å; D421-S423 PolarHBondContact O-OG 3.22Å
424	R	85.1	Confident	88.4	Confident	85 Å²	85	49 Å²	49	32%	0.321	23%	0.226	S	C	.	.			trans	-122.4	-44.2	-172.5	-62.8	161.3	178.2	-79.7	-11.4	113.6	P319 D395 L446	P319-R424 PolarHBondContact O-NH1 3.42Å; D395-R424 WeakPolarHBondContact OD1-CB 3.18Å; D395-R424 PolarHBondContact OD1-N 3.47Å; D395-R424 PolarHBondContact OD2-N 3.35Å; R424-L446 WeakPolarHBondContact O-CB 3.41Å; R424-L446 WeakPolarHBondContact O-CG 3.37Å; R424-L446 PolarHBondContact O-N 3.31Å
425	E	89.4	Confident	88.1	Confident	42 Å²	42	49.3 Å²	49.3	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138	-170.1	-167.9	176.3	71.4	0	0	111.7	H221 D395 F443 L444	H221-E425 IonicContact CE1-OE2 2.66Å; H221-E425 IonicContact NE2-OE1 3.37Å; H221-E425 PolarHBondContact NE2-OE1 3.15Å; H221-E425 IonicContact NE2-OE2 2.66Å; H221-E425 PolarHBondContact NE2-OE2 3.41Å; D395-E425 PolarHBondContact N-O 3.26Å; D395-E425 PolarHBondContact OD1-N 3.11Å; E425-F443 HydrophobicContact CG-CB 4.21Å; E425-F443 HydrophobicContact CG-CD1 4.47Å; E425-F443 WeakPolarHBondContact OE1-CD1 3.26Å; E425-L444 WeakPolarHBondContact CA-O 3.31Å
426	L	91.8	Very high	88	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.3	170.5	170.3	63.6	0	0	0	109.2	L326 V328 L392 K393 L394 L418 I428 L444 L446	L326-L426 HydrophobicContact CD2-CD2 4.01Å; V328-L426 HydrophobicContact CG2-CD2 3.83Å; L392-L426 HydrophobicContact CB-CD1 4.22Å; K393-L426 CarbonylContact O-C 3.59Å; K393-L426 WeakPolarHBondContact O-CA 3.5Å; K393-L426 WeakPolarHBondContact O-CD1 3.48Å; L394-L426 HydrophobicContact CD2-CB 4.05Å; L394-L426 HydrophobicContact CD2-CD1 4.18Å; L394-L426 HydrophobicContact CG-CD1 4.5Å; L418-L426 HydrophobicContact CD1-CD1 4.45Å; L426-I428 HydrophobicContact CG-CG1 4.25Å; L426-L444 HydrophobicContact CB-CB 4.3Å; L426-L444 HydrophobicContact CD2-CD1 4.22Å; L426-L444 PolarHBondContact N-O 2.94Å; L426-L444 PolarHBondContact O-N 3.29Å; L426-L446 HydrophobicContact CB-CD2 3.97Å
427	E	93.6	Very high	87.9	Confident	5 Å²	5	41.9 Å²	41.9	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.9	168.2	-178.6	-157.5	123.9	0	0	109.4	K263 L392 K393 S429 F443	K263-E427 WeakPolarHBondContact CE-OE2 3.19Å; K263-E427 IonicContact NZ-OE1 2.66Å; K263-E427 IonicContact NZ-OE2 3.82Å; K263-E427 PolarHBondContact NZ-OE2 2.84Å; L392-E427 WeakPolarHBondContact CA-O 3.38Å; K393-E427 HydrophobicContact CB-CB 4.13Å; K393-E427 WeakPolarHBondContact CD-OE1 3.47Å; K393-E427 VanDerWaalsContact CE-OE1 3.31Å; K393-E427 WeakPolarHBondContact CE-OE1 3.44Å; K393-E427 PolarHBondContact N-O 3.36Å; K393-E427 PolarHBondContact O-N 3.13Å; E427-S429 WeakPolarHBondContact OE1-CB 3.42Å; E427-S429 PolarHBondContact OE1-OG 3.17Å; E427-F443 HydrophobicContact CB-CD1 4.14Å; E427-F443 HydrophobicContact CB-CE1 4.17Å; E427-F443 HydrophobicContact CG-CD1 4.19Å; E427-F443 HydrophobicContact CG-CE1 3.83Å
428	I	94.6	Very high	88	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.5	166.9	-50.6	174.4	0	0	0	108.4	L330 A390 V391 L426 V441 K442 L444 L467	L330-I428 HydrophobicContact CD1-CG2 4.22Å; L330-I428 HydrophobicContact CD2-CD1 4.22Å; A390-I428 HydrophobicContact CB-CG2 4.39Å; V391-I428 WeakPolarHBondContact O-CA 3.47Å; L426-I428 HydrophobicContact CG-CG1 4.25Å; I428-V441 CarbonylContact O-C 3.57Å; I428-V441 WeakPolarHBondContact O-CA 3.47Å; I428-K442 PolarHBondContact N-O 3Å; I428-K442 PolarHBondContact O-N 3.45Å; I428-L444 HydrophobicContact CD1-CD1 3.85Å; I428-L467 HydrophobicContact CB-CD2 4.27Å; I428-L467 HydrophobicContact CD1-CD2 3.86Å; I428-L467 HydrophobicContact CG2-CD2 3.77Å
429	S	94.5	Very high	88.2	Confident	0 Å²	0	37 Å²	37	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.4	-177.4	-87.4	0	0	0	0	111.1	A390 V391 E427	A390-S429 CarbonylContact C-O 3.53Å; A390-S429 WeakPolarHBondContact CA-O 3.41Å; V391-S429 PolarHBondContact N-O 3.42Å; V391-S429 PolarHBondContact O-N 3.35Å; E427-S429 WeakPolarHBondContact OE1-CB 3.42Å; E427-S429 PolarHBondContact OE1-OG 3.17Å
430	V	94.1	Very high	88.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.8	-176.7	-174.6	0	0	0	0	111.2	L336 A390 C439 A440 L461	L336-V430 HydrophobicContact CD1-CG1 3.96Å; L336-V430 HydrophobicContact CD2-CG1 4.22Å; A390-V430 HydrophobicContact CB-CG2 4.36Å; V430-C439 PolarHBondContact O-N 3.33Å; V430-C439 PolarHBondContact O-SG 3.48Å; V430-C439 VanDerWaalsContact O-SG 3.35Å; V430-A440 HydrophobicContact CB-CB 4.45Å; V430-A440 PolarHBondContact N-O 3.03Å; V430-A440 PolarHBondContact O-N 3.32Å; V430-L461 HydrophobicContact CG2-CD1 3.96Å
431	Y	92.8	Very high	89	Confident	11 Å²	11	28.4 Å²	28.4	4%	0.043	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.7	-175	-63.1	-105.1	0	0	0	111.4	P352 I388 S389 V391 W404 S437 L438	P352-Y431 HydrophobicContact CG-CD1 3.86Å; P352-Y431 HydrophobicContact CG-CD2 3.87Å; P352-Y431 HydrophobicContact CG-CE1 3.97Å; P352-Y431 HydrophobicContact CG-CE2 3.99Å; P352-Y431 HydrophobicContact CG-CG 3.83Å; I388-Y431 VanDerWaalsContact CA-O 3.22Å; I388-Y431 WeakPolarHBondContact CA-O 3.49Å; S389-Y431 PolarHBondContact N-O 2.94Å; S389-Y431 PolarHBondContact O-N 3.08Å; V391-Y431 HydrophobicContact CB-CE2 4.07Å; V391-Y431 HydrophobicContact CG2-CD2 3.98Å; V391-Y431 HydrophobicContact CG2-CE2 3.63Å; W404-Y431 WeakPolarHBondContact CZ3-O 3.26Å; Y431-S437 WeakPolarHBondContact CA-O 3.35Å; Y431-L438 HydrophobicContact CD1-CB 3.89Å; Y431-L438 HydrophobicContact CD1-CD1 4.34Å; Y431-L438 HydrophobicContact CD2-CD1 4.14Å; Y431-L438 HydrophobicContact CE1-CB 3.69Å; Y431-L438 HydrophobicContact CE1-CD1 3.94Å; Y431-L438 HydrophobicContact CE1-CG 4.39Å; Y431-L438 HydrophobicContact CE2-CD1 3.7Å; Y431-L438 HydrophobicContact CG-CD1 4.42Å
432	W	91.4	Very high	89.6	Confident	8 Å²	8	23.5 Å²	23.5	3%	0.03	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	147.4	161.1	-69	111.3	0	0	0	111.2	L336 L337 E338 L351 S385 I388 V407 D434 R436 S437 C439	L336-W432 HydrophobicContact CB-CZ2 3.93Å; L336-W432 HydrophobicContact CD1-CZ2 4.35Å; L337-W432 PolarHBondContact O-NE1 3.46Å; E338-W432 HydrophobicContact CG-CZ2 4.34Å; L351-W432 WeakPolarHBondContact CD2-O 3.38Å; S385-W432 VanDerWaalsContact O-CE3 3.31Å; I388-W432 HydrophobicContact CG2-CD2 4Å; I388-W432 HydrophobicContact CG2-CE3 3.48Å; I388-W432 VanDerWaalsContact CG2-CE3 3.48Å; I388-W432 HydrophobicContact CG2-CZ3 3.79Å; V407-W432 HydrophobicContact CG2-CE3 4.47Å; V407-W432 HydrophobicContact CG2-CH2 3.59Å; V407-W432 HydrophobicContact CG2-CZ3 3.46Å; V407-W432 VanDerWaalsContact CG2-CZ3 3.46Å; W432-D434 PolarHBondContact O-N 3.42Å; W432-R436 HydrophobicContact CB-CB 4.02Å; W432-R436 VanDerWaalsContact CD2-CZ 3.42Å; W432-R436 VanDerWaalsContact CE3-NH2 3.3Å; W432-R436 HydrophobicContact CG-CB 4.04Å; W432-R436 VanDerWaalsContact CZ2-NH1 3.35Å; W432-S437 PolarHBondContact N-O 3.36Å; W432-C439 VanDerWaalsContact CD1-CB 3.41Å
433	R	88.9	Confident	90.1	Very high	102 Å²	102	19.1 Å²	19.1	39%	0.385	8%	0.079	S	C	.	.	S	Bend	trans	-81.6	36.9	176.1	-151.9	-173.5	-174.3	179	3.5	113.5	L351 E387 W404	L351-R433 HydrophobicContact CD1-CG 3.98Å; E387-R433 HydrophobicContact CB-CB 3.98Å; E387-R433 WeakPolarHBondContact O-CB 3.42Å; E387-R433 PolarHBondContact O-N 3.03Å; E387-R433 IonicContact OE1-NH1 3.12Å; E387-R433 WeakPolarHBondContact OE2-CD 3.28Å; E387-R433 IonicContact OE2-CZ 2.84Å; E387-R433 IonicContact OE2-NE 3.32Å; E387-R433 IonicContact OE2-NH1 3.98Å; E387-R433 PolarHBondContact OE2-NH1 3.29Å; W404-R433 HydrophobicContact CD2-CB 4.13Å; W404-R433 HydrophobicContact CD2-CG 3.71Å; W404-R433 HydrophobicContact CE3-CB 3.46Å; W404-R433 VanDerWaalsContact CE3-CB 3.46Å; W404-R433 HydrophobicContact CE3-CG 3.59Å; W404-R433 HydrophobicContact CG-CG 4.27Å; W404-R433 HydrophobicContact CH2-CB 4.32Å; W404-R433 HydrophobicContact CH2-CG 4.29Å; W404-R433 HydrophobicContact CZ2-CG 4.41Å; W404-R433 HydrophobicContact CZ3-CB 3.58Å; W404-R433 HydrophobicContact CZ3-CG 3.9Å
434	D	85.3	Confident	90.3	Very high	29 Å²	29	19.3 Å²	19.3	16%	0.155	8%	0.079	C	C	.	.	S	Bend	trans	-149.5	-165	177.3	66.6	40.1	0	0	0	112.2	S385 W432 R436 S437	S385-D434 PolarHBondContact N-OD2 2.84Å; W432-D434 PolarHBondContact O-N 3.42Å; D434-R436 PolarHBondContact O-N 2.95Å; D434-R436 VanDerWaalsContact O-N 3.09Å; D434-R436 VanDerWaalsContact OD1-CB 3.29Å; D434-R436 WeakPolarHBondContact OD1-CB 3.46Å; D434-R436 WeakPolarHBondContact OD1-CG 3.49Å; D434-R436 IonicContact OD1-CZ 3.21Å; D434-R436 PolarHBondContact OD1-N 2.89Å; D434-R436 IonicContact OD1-NE 3.75Å; D434-R436 PolarHBondContact OD1-NE 3.38Å; D434-R436 IonicContact OD1-NH2 2.71Å; D434-R436 IonicContact OD2-CZ 2.67Å; D434-R436 IonicContact OD2-NE 3.75Å; D434-R436 PolarHBondContact OD2-NE 3.12Å; D434-R436 IonicContact OD2-NH2 3.49Å; D434-R436 PolarHBondContact OD2-NH2 3.25Å; D434-S437 PolarHBondContact O-N 2.71Å; D434-S437 VanDerWaalsContact O-N 3.08Å
435	W	81.6	Confident	90.4	Very high	66 Å²	66	17.7 Å²	17.7	25%	0.25	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.8	-177.4	65.8	-84.7	0	0	0	114.7	R343 K345 L384 S437	R343-W435 HydrophobicContact CB-CE3 3.87Å; R343-W435 HydrophobicContact CB-CZ3 3.73Å; K345-W435 HydrophobicContact CG-CD2 3.95Å; K345-W435 HydrophobicContact CG-CE3 4.48Å; K345-W435 HydrophobicContact CG-CG 4.17Å; K345-W435 HydrophobicContact CG-CZ2 4.39Å; L384-W435 HydrophobicContact CD2-CZ2 4.31Å; W435-S437 VanDerWaalsContact C-N 3.33Å
436	R	87	Confident	90.1	Very high	3 Å²	3	15.7 Å²	15.7	1%	0.011	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-29.7	174.2	-65.3	174.1	-73.6	168.5	2.2	112.3	E338 V340 R343 S385 W432 D434	E338-R436 WeakPolarHBondContact O-CD 3.35Å; V340-R436 HydrophobicContact CG2-CB 4.03Å; V340-R436 HydrophobicContact CG2-CG 4.5Å; R343-R436 WeakPolarHBondContact CD-O 3.35Å; R343-R436 WeakPolarHBondContact CG-O 3.47Å; R343-R436 PolarHBondContact NE-O 2.71Å; S385-R436 PolarHBondContact O-NH2 3.36Å; W432-R436 HydrophobicContact CB-CB 4.02Å; W432-R436 VanDerWaalsContact CD2-CZ 3.42Å; W432-R436 VanDerWaalsContact CE3-NH2 3.3Å; W432-R436 HydrophobicContact CG-CB 4.04Å; W432-R436 VanDerWaalsContact CZ2-NH1 3.35Å; D434-R436 PolarHBondContact O-N 2.95Å; D434-R436 VanDerWaalsContact O-N 3.09Å; D434-R436 VanDerWaalsContact OD1-CB 3.29Å; D434-R436 WeakPolarHBondContact OD1-CB 3.46Å; D434-R436 WeakPolarHBondContact OD1-CG 3.49Å; D434-R436 IonicContact OD1-CZ 3.21Å; D434-R436 PolarHBondContact OD1-N 2.89Å; D434-R436 IonicContact OD1-NE 3.75Å; D434-R436 PolarHBondContact OD1-NE 3.38Å; D434-R436 IonicContact OD1-NH2 2.71Å; D434-R436 IonicContact OD2-CZ 2.67Å; D434-R436 IonicContact OD2-NE 3.75Å; D434-R436 PolarHBondContact OD2-NE 3.12Å; D434-R436 IonicContact OD2-NH2 3.49Å; D434-R436 PolarHBondContact OD2-NH2 3.25Å
437	S	88.5	Confident	89.4	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.067	C	C	.	.			trans	52.9	-138.9	178.1	-165.8	0	0	0	0	112.3	Q262 S349 Y431 W432 D434 W435 C439	Q262-S437 PolarHBondContact OE1-OG 2.89Å; S349-S437 WeakPolarHBondContact OG-CB 3.44Å; S349-S437 PolarHBondContact OG-OG 3.36Å; S349-S437 VanDerWaalsContact OG-OG 3.08Å; Y431-S437 WeakPolarHBondContact CA-O 3.35Å; W432-S437 PolarHBondContact N-O 3.36Å; D434-S437 PolarHBondContact O-N 2.71Å; D434-S437 VanDerWaalsContact O-N 3.08Å; W435-S437 VanDerWaalsContact C-N 3.33Å; S437-C439 PolarHBondContact O-N 2.97Å
438	L	91.3	Very high	88.6	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	118.3	174.3	-175.5	75.6	0	0	0	110.7	Q262 K263 L266 R343 Y431 V441	Q262-L438 HydrophobicContact CB-CB 4.24Å; Q262-L438 HydrophobicContact CB-CD2 3.98Å; K263-L438 HydrophobicContact CB-CD2 4.39Å; K263-L438 HydrophobicContact CG-CD2 3.57Å; L266-L438 HydrophobicContact CD1-CD2 4.01Å; L266-L438 HydrophobicContact CD1-CG 3.86Å; R343-L438 PolarHBondContact NH2-O 3.13Å; Y431-L438 HydrophobicContact CD1-CB 3.89Å; Y431-L438 HydrophobicContact CD1-CD1 4.34Å; Y431-L438 HydrophobicContact CD2-CD1 4.14Å; Y431-L438 HydrophobicContact CE1-CB 3.69Å; Y431-L438 HydrophobicContact CE1-CD1 3.94Å; Y431-L438 HydrophobicContact CE1-CG 4.39Å; Y431-L438 HydrophobicContact CE2-CD1 3.7Å; Y431-L438 HydrophobicContact CG-CD1 4.42Å; L438-V441 HydrophobicContact CD1-CG1 4.03Å; L438-V441 HydrophobicContact CD2-CG1 4.17Å; L438-V441 HydrophobicContact CG-CG1 4.37Å
439	C	91.3	Very high	87.8	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-20.7	-174.3	59.4	0	0	0	0	114.8	L266 V340 V430 W432 S437	L266-C439 WeakPolarHBondContact CD2-O 3.49Å; V340-C439 HydrophobicContact CG2-CB 3.59Å; V430-C439 PolarHBondContact O-N 3.33Å; V430-C439 PolarHBondContact O-SG 3.48Å; V430-C439 VanDerWaalsContact O-SG 3.35Å; W432-C439 VanDerWaalsContact CD1-CB 3.41Å; S437-C439 PolarHBondContact O-N 2.97Å
440	A	92.7	Very high	86.7	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	149.9	179.1	0	0	0	0	0	111.8	L336 V430 L461 E462	L336-A440 HydrophobicContact CD2-CB 4.19Å; V430-A440 HydrophobicContact CB-CB 4.45Å; V430-A440 PolarHBondContact N-O 3.03Å; V430-A440 PolarHBondContact O-N 3.32Å; A440-L461 HydrophobicContact CB-CB 3.8Å; A440-L461 HydrophobicContact CB-CD1 3.75Å; A440-L461 HydrophobicContact CB-CG 4.4Å; A440-E462 CarbonylContact C-O 3.36Å; A440-E462 VanDerWaalsContact CA-O 3.32Å; A440-E462 WeakPolarHBondContact CA-O 3.45Å
441	V	93.4	Very high	85.4	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.6	180	-62.2	0	0	0	0	112.2	K263 L266 L267 I428 L438 F443 E462	K263-V441 HydrophobicContact CG-CG1 4.41Å; L266-V441 HydrophobicContact CD1-CG1 4.21Å; L267-V441 HydrophobicContact CD2-CG2 4.48Å; I428-V441 CarbonylContact O-C 3.57Å; I428-V441 WeakPolarHBondContact O-CA 3.47Å; L438-V441 HydrophobicContact CD1-CG1 4.03Å; L438-V441 HydrophobicContact CD2-CG1 4.17Å; L438-V441 HydrophobicContact CG-CG1 4.37Å; V441-F443 HydrophobicContact CG2-CE2 4.15Å; V441-E462 HydrophobicContact CG2-CB 4.17Å; V441-E462 PolarHBondContact N-O 3.47Å; V441-E462 PolarHBondContact O-N 3.39Å
442	K	92.3	Very high	84.1	Confident	21 Å²	21	21.3 Å²	21.3	9%	0.091	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.4	164.8	-173	62.5	158.5	-159.7	0	110.1	D114 I428 L444 Y460 L461	D114-K442 IonicContact OD2-NZ 3.68Å; D114-K442 PolarHBondContact OD2-NZ 3.38Å; I428-K442 PolarHBondContact N-O 3Å; I428-K442 PolarHBondContact O-N 3.45Å; K442-L444 HydrophobicContact CG-CD2 4.22Å; K442-Y460 VanDerWaalsContact CD-O 3.27Å; K442-Y460 WeakPolarHBondContact CD-O 3.23Å; K442-Y460 VanDerWaalsContact CE-O 3.26Å; K442-Y460 WeakPolarHBondContact CE-O 3.38Å; K442-Y460 PolarHBondContact NZ-O 2.91Å; K442-L461 HydrophobicContact CB-CD2 3.75Å
443	F	90.1	Very high	83	Confident	19 Å²	19	23 Å²	23	8%	0.083	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.8	173	-57	-85.5	0	0	0	108.8	H221 E425 E427 V441	H221-F443 HydrophobicContact CB-CD2 4.43Å; H221-F443 HydrophobicContact CB-CE2 3.99Å; H221-F443 HydrophobicContact CB-CZ 4.32Å; H221-F443 AromaticContact CD2-CD1 3.93Å; H221-F443 AromaticContact CD2-CD2 3.95Å; H221-F443 AromaticContact CD2-CG 3.89Å; H221-F443 AromaticContact CE1-CD2 3.55Å; H221-F443 AromaticContact CE1-CG 3.5Å; H221-F443 AromaticContact CG-CD2 3.75Å; H221-F443 AromaticContact CG-CE2 3.76Å; H221-F443 AromaticContact ND1-CD2 3.49Å; H221-F443 WeakPolarHBondContact ND1-CD2 3.37Å; H221-F443 AromaticContact ND1-CE2 3.94Å; H221-F443 AromaticContact ND1-CG 3.93Å; H221-F443 AromaticContact NE2-CD1 3.74Å; H221-F443 AromaticContact NE2-CD2 3.84Å; H221-F443 AromaticContact NE2-CG 3.47Å; H221-F443 WeakPolarHBondContact NE2-CG 3.33Å; E425-F443 HydrophobicContact CG-CB 4.21Å; E425-F443 HydrophobicContact CG-CD1 4.47Å; E425-F443 WeakPolarHBondContact OE1-CD1 3.26Å; E427-F443 HydrophobicContact CB-CD1 4.14Å; E427-F443 HydrophobicContact CB-CE1 4.17Å; E427-F443 HydrophobicContact CG-CD1 4.19Å; E427-F443 HydrophobicContact CG-CE1 3.83Å; V441-F443 HydrophobicContact CG2-CE2 4.15Å
444	L	87.6	Confident	82.1	Confident	14 Å²	14	23.1 Å²	23.1	7%	0.073	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.7	-178.9	-63.6	175.9	0	0	0	109.3	E425 L426 I428 K442 F449 L459	E425-L444 WeakPolarHBondContact CA-O 3.31Å; L426-L444 HydrophobicContact CB-CB 4.3Å; L426-L444 HydrophobicContact CD2-CD1 4.22Å; L426-L444 PolarHBondContact N-O 2.94Å; L426-L444 PolarHBondContact O-N 3.29Å; I428-L444 HydrophobicContact CD1-CD1 3.85Å; K442-L444 HydrophobicContact CG-CD2 4.22Å; L444-F449 HydrophobicContact CB-CE2 4.31Å; L444-L459 HydrophobicContact CD1-CD1 3.89Å; L444-L459 HydrophobicContact CD2-CD1 3.98Å; L444-L459 HydrophobicContact CD2-CD2 3.84Å; L444-L459 HydrophobicContact CG-CD1 4.41Å
445	R	85.8	Confident	81.5	Confident	52 Å²	52	23.9 Å²	23.9	20%	0.196	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.9	178.1	-55.8	178.8	-170.6	-170.9	5.6	109.1	E217 P319 E447 D448	E217-R445 IonicContact OE1-CZ 2.89Å; E217-R445 VanDerWaalsContact OE1-CZ 3.23Å; E217-R445 IonicContact OE1-NE 2.69Å; E217-R445 PolarHBondContact OE1-NE 3.4Å; E217-R445 IonicContact OE1-NH2 2.76Å; E217-R445 PolarHBondContact OE1-NH2 3.37Å; P319-R445 HydrophobicContact CG-CG 4.46Å; R445-E447 HydrophobicContact CB-CG 4.22Å; R445-E447 PolarHBondContact O-N 2.94Å; R445-D448 PolarHBondContact O-N 3.43Å
446	L	84	Confident	81.2	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-69.4	-19.1	-174.4	-62.8	176.5	0	0	0	112.6	L322 L326 L394 L420 R424 L426 D448 F449	L322-L446 HydrophobicContact CD1-CB 3.78Å; L322-L446 WeakPolarHBondContact CD1-O 3.41Å; L326-L446 HydrophobicContact CD2-CD2 3.59Å; L394-L446 HydrophobicContact CD2-CD1 3.96Å; L420-L446 HydrophobicContact CD1-CD1 3.99Å; L420-L446 HydrophobicContact CD2-CD1 4.07Å; R424-L446 WeakPolarHBondContact O-CB 3.41Å; R424-L446 WeakPolarHBondContact O-CG 3.37Å; R424-L446 PolarHBondContact O-N 3.31Å; L426-L446 HydrophobicContact CB-CD2 3.97Å; L446-D448 PolarHBondContact O-N 3.01Å; L446-F449 PolarHBondContact O-N 2.86Å
447	E	77.6	Confident	80.8	Confident	15 Å²	15	24.6 Å²	24.6	7%	0.07	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-71.8	-9.7	175.9	65.6	178.4	-156.2	0	0	114.7	F180 P319 A320 L322 R445 L450	F180-E447 HydrophobicContact CE1-CB 4.43Å; F180-E447 HydrophobicContact CZ-CB 4.02Å; P319-E447 WeakPolarHBondContact CA-OE2 3.48Å; P319-E447 HydrophobicContact CB-CG 4.49Å; A320-E447 HydrophobicContact CB-CB 4.38Å; A320-E447 PolarHBondContact N-OE2 2.9Å; L322-E447 HydrophobicContact CD1-CB 4.04Å; R445-E447 HydrophobicContact CB-CG 4.22Å; R445-E447 PolarHBondContact O-N 2.94Å; E447-L450 HydrophobicContact CB-CD1 4.09Å; E447-L450 WeakPolarHBondContact O-CD1 3.23Å
448	D	76.2	Confident	80.5	Confident	53 Å²	53	25.3 Å²	25.3	28%	0.283	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-75.9	-28.4	175	-83.9	-67	0	0	0	113	R128 R445 L446	R128-D448 IonicContact CZ-OD1 3.65Å; R128-D448 IonicContact NH1-OD1 3.6Å; R128-D448 PolarHBondContact NH1-OD1 3.39Å; R128-D448 VanDerWaalsContact NH2-CA 3.26Å; R128-D448 PolarHBondContact NH2-O 2.92Å; R128-D448 IonicContact NH2-OD1 2.77Å; R128-D448 PolarHBondContact NH2-OD1 3Å; R445-D448 PolarHBondContact O-N 3.43Å; L446-D448 PolarHBondContact O-N 3.01Å
449	F	77.9	Confident	80.1	Confident	17 Å²	17	26 Å²	26	8%	0.075	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-98.6	22.9	-170.2	-50.4	-67.2	0	0	0	114.4	L444 L446 D451 H455 M457 V471 F473	L444-F449 HydrophobicContact CB-CE2 4.31Å; L446-F449 PolarHBondContact O-N 2.86Å; F449-D451 PolarHBondContact O-N 2.98Å; F449-D451 VanDerWaalsContact O-N 3.13Å; F449-H455 HydrophobicContact CD1-CB 4.36Å; F449-H455 AromaticContact CD1-CD2 3.84Å; F449-H455 AromaticContact CD1-CE1 3.85Å; F449-H455 AromaticContact CD1-CG 3.78Å; F449-H455 AromaticContact CD1-ND1 3.79Å; F449-H455 AromaticContact CD1-NE2 3.87Å; F449-H455 HydrophobicContact CE1-CB 4.41Å; F449-M457 HydrophobicContact CD1-CE 4.4Å; F449-M457 HydrophobicContact CE1-CE 3.5Å; F449-M457 HydrophobicContact CZ-CE 3.92Å; F449-V471 HydrophobicContact CD1-CG1 4.41Å; F449-V471 HydrophobicContact CD2-CG1 4.25Å; F449-V471 HydrophobicContact CG-CG1 4.2Å; F449-F473 HydrophobicContact CB-CB 4.13Å; F449-F473 HydrophobicContact CB-CD1 4.41Å; F449-F473 WeakPolarHBondContact O-CB 3.41Å
450	L	71.6	Confident	79.8	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	6.4	-169.4	-75.3	173.5	0	0	0	116.4	F180 L322 E447 F473 P476 I478	F180-L450 HydrophobicContact CD1-CD1 3.59Å; F180-L450 HydrophobicContact CE1-CD1 3.28Å; F180-L450 HydrophobicContact CZ-CD1 4.08Å; L322-L450 HydrophobicContact CD1-CD1 4.5Å; L322-L450 HydrophobicContact CD1-CD2 3.96Å; L322-L450 HydrophobicContact CD1-CG 4.39Å; L322-L450 HydrophobicContact CD2-CD2 4.01Å; E447-L450 HydrophobicContact CB-CD1 4.09Å; E447-L450 WeakPolarHBondContact O-CD1 3.23Å; L450-F473 HydrophobicContact CD2-CD1 4.47Å; L450-F473 HydrophobicContact CD2-CE1 4.12Å; L450-P476 HydrophobicContact CD2-CB 3.43Å; L450-P476 VanDerWaalsContact CD2-CB 3.43Å; L450-P476 HydrophobicContact CD2-CG 4.07Å; L450-I478 HydrophobicContact CD1-CD1 3.87Å; L450-I478 HydrophobicContact CD2-CD1 4.31Å; L450-I478 HydrophobicContact CD2-CG1 4.26Å
451	D	65.5	Low	79.7	Confident	10 Å²	10	29.7 Å²	29.7	5%	0.053	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.4	-174.2	69.5	-3.3	0	0	0	114.8	A131 L132 F449 Q453 H455	A131-D451 HydrophobicContact CB-CB 4.12Å; A131-D451 VanDerWaalsContact CB-OD2 3.3Å; A131-D451 WeakPolarHBondContact CB-OD2 3.45Å; L132-D451 HydrophobicContact CD2-CB 4.4Å; F449-D451 PolarHBondContact O-N 2.98Å; F449-D451 VanDerWaalsContact O-N 3.13Å; D451-Q453 VanDerWaalsContact C-N 3.3Å; D451-Q453 PolarHBondContact O-N 3.26Å; D451-Q453 WeakPolarHBondContact OD1-CB 3.44Å; D451-Q453 PolarHBondContact OD1-N 2.7Å; D451-H455 IonicContact OD1-CE1 2.71Å; D451-H455 PolarHBondContact OD1-CE1 2.9Å; D451-H455 VanDerWaalsContact OD1-CE1 3.26Å; D451-H455 IonicContact OD2-CE1 3.41Å
452	N	66.1	Low	79.5	Confident	35 Å²	35	30.3 Å²	30.3	19%	0.187	15%	0.152	C	C	.	.			trans	61.9	20.4	-172	-60.7	-90.3	0	0	0	115.9	Q135 F473 N475 P476	Q135-N452 VanDerWaalsContact CD-ND2 3.31Å; Q135-N452 PolarHBondContact OE1-ND2 2.95Å; N452-F473 WeakPolarHBondContact CA-O 3.22Å; N452-F473 PolarHBondContact OD1-O 3.44Å; N452-N475 PolarHBondContact OD1-N 3Å; N452-N475 VanDerWaalsContact OD1-N 3.08Å; N452-P476 WeakPolarHBondContact OD1-CD 3.34Å
453	Q	67.8	Low	79.2	Confident	43 Å²	43	29.6 Å²	29.6	20%	0.201	15%	0.149	C	C	.	.			trans	-95.2	153.2	179.4	-59.3	-161.3	23.1	0	0	113.7	D451 H455	D451-Q453 VanDerWaalsContact C-N 3.3Å; D451-Q453 PolarHBondContact O-N 3.26Å; D451-Q453 WeakPolarHBondContact OD1-CB 3.44Å; D451-Q453 PolarHBondContact OD1-N 2.7Å; Q453-H455 PolarHBondContact O-N 3.21Å; Q453-H455 PolarHBondContact O-ND1 3.18Å
454	R	71.2	Confident	79.1	Confident	104 Å²	104	32.4 Å²	32.4	39%	0.392	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	103.2	172.3	174.5	172.4	163.3	-160.9	-4.9	109.2	G456 E470 T472	R454-G456 PolarHBondContact O-N 3.44Å; R454-E470 IonicContact CZ-OE1 2.64Å; R454-E470 VanDerWaalsContact CZ-OE1 3.27Å; R454-E470 IonicContact CZ-OE2 3.58Å; R454-E470 IonicContact NE-OE1 3.87Å; R454-E470 PolarHBondContact NE-OE1 3.31Å; R454-E470 IonicContact NE-OE2 3.27Å; R454-E470 PolarHBondContact NE-OE2 3.08Å; R454-E470 VanDerWaalsContact NH2-CD 3.25Å; R454-E470 IonicContact NH2-OE1 3.68Å; R454-E470 PolarHBondContact NH2-OE1 3.45Å; R454-E470 IonicContact NH2-OE2 3.01Å; R454-E470 PolarHBondContact NH2-OE2 2.82Å; R454-T472 WeakPolarHBondContact CA-OG1 3.43Å; R454-T472 HydrophobicContact CB-CG2 4.21Å; R454-T472 WeakPolarHBondContact CB-OG1 3.47Å; R454-T472 WeakPolarHBondContact CG-OG1 3.44Å
455	H	71.5	Confident	79.1	Confident	46 Å²	46	32.1 Å²	32.1	21%	0.213	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	99.2	179	-65.3	71.6	0	0	0	109.8	F449 D451 Q453 M457 E470 V471	F449-H455 HydrophobicContact CD1-CB 4.36Å; F449-H455 AromaticContact CD1-CD2 3.84Å; F449-H455 AromaticContact CD1-CE1 3.85Å; F449-H455 AromaticContact CD1-CG 3.78Å; F449-H455 AromaticContact CD1-ND1 3.79Å; F449-H455 AromaticContact CD1-NE2 3.87Å; F449-H455 HydrophobicContact CE1-CB 4.41Å; D451-H455 IonicContact OD1-CE1 2.71Å; D451-H455 PolarHBondContact OD1-CE1 2.9Å; D451-H455 VanDerWaalsContact OD1-CE1 3.26Å; D451-H455 IonicContact OD2-CE1 3.41Å; Q453-H455 PolarHBondContact O-N 3.21Å; Q453-H455 PolarHBondContact O-ND1 3.18Å; H455-M457 HydrophobicContact CB-CE 3.49Å; H455-M457 VanDerWaalsContact CB-CE 3.49Å; H455-E470 CarbonylContact O-C 3.54Å; H455-E470 VanDerWaalsContact O-CA 3.27Å; H455-E470 WeakPolarHBondContact O-CA 3.5Å; H455-V471 PolarHBondContact N-O 2.86Å; H455-V471 PolarHBondContact O-N 3.43Å
456	G	76.4	Confident	79.2	Confident	55 Å²	55	31.7 Å²	31.7	57%	0.567	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.8	162.2	0	0	0	0	0	109.4	R454	R454-G456 PolarHBondContact O-N 3.44Å
457	M	77.8	Confident	79.5	Confident	28 Å²	28	31.7 Å²	31.7	14%	0.138	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.1	-169.9	59.1	-177.2	71.3	0	0	112.8	F449 H455 L459 A469 V471	F449-M457 HydrophobicContact CD1-CE 4.4Å; F449-M457 HydrophobicContact CE1-CE 3.5Å; F449-M457 HydrophobicContact CZ-CE 3.92Å; H455-M457 HydrophobicContact CB-CE 3.49Å; H455-M457 VanDerWaalsContact CB-CE 3.49Å; M457-L459 HydrophobicContact CB-CD2 4.47Å; M457-L459 HydrophobicContact CB-CG 4.44Å; M457-L459 HydrophobicContact CG-CD1 4.25Å; M457-L459 HydrophobicContact CG-CD2 4.3Å; M457-L459 HydrophobicContact CG-CG 3.98Å; M457-L459 HydrophobicContact SD-CD1 3.67Å; M457-L459 HydrophobicContact SD-CD2 3.77Å; M457-L459 HydrophobicContact SD-CG 3.79Å; M457-A469 HydrophobicContact CG-CB 4Å; M457-A469 WeakPolarHBondContact CG-O 3.37Å; M457-A469 PolarHBondContact N-O 3.12Å; M457-A469 PolarHBondContact O-N 2.84Å; M457-A469 HydrophobicContact SD-CB 4.47Å; M457-V471 HydrophobicContact CE-CB 3.67Å; M457-V471 HydrophobicContact CE-CG2 3.56Å; M457-V471 HydrophobicContact SD-CG2 3.88Å
458	C	81.7	Confident	80.1	Confident	15 Å²	15	33 Å²	33	10%	0.101	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.8	158.8	-174.2	0	0	0	0	107.6	T112 L467 F468	T112-C458 HydrophobicContact CG2-CB 4.01Å; T112-C458 VanDerWaalsContact CG2-O 3.31Å; T112-C458 WeakPolarHBondContact CG2-O 3.4Å; C458-L467 WeakPolarHBondContact CA-O 3.4Å; C458-F468 HydrophobicContact CB-CD1 4.27Å; C458-F468 HydrophobicContact CB-CE1 4.24Å
459	L	83.9	Confident	80.7	Confident	14 Å²	14	30.5 Å²	30.5	7%	0.073	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.7	-176.6	-66.9	173.1	0	0	0	109.9	L444 M457 L461 M466 L467 A469	L444-L459 HydrophobicContact CD1-CD1 3.89Å; L444-L459 HydrophobicContact CD2-CD1 3.98Å; L444-L459 HydrophobicContact CD2-CD2 3.84Å; L444-L459 HydrophobicContact CG-CD1 4.41Å; M457-L459 HydrophobicContact CB-CD2 4.47Å; M457-L459 HydrophobicContact CB-CG 4.44Å; M457-L459 HydrophobicContact CG-CD1 4.25Å; M457-L459 HydrophobicContact CG-CD2 4.3Å; M457-L459 HydrophobicContact CG-CG 3.98Å; M457-L459 HydrophobicContact SD-CD1 3.67Å; M457-L459 HydrophobicContact SD-CD2 3.77Å; M457-L459 HydrophobicContact SD-CG 3.79Å; L459-L461 PolarHBondContact O-N 3.46Å; L459-M466 WeakPolarHBondContact O-CA 3.33Å; L459-L467 HydrophobicContact CB-CB 4.3Å; L459-L467 HydrophobicContact CD1-CD2 4.17Å; L459-L467 PolarHBondContact N-O 3.12Å; L459-L467 PolarHBondContact O-N 2.94Å; L459-A469 HydrophobicContact CD1-CB 4.5Å
460	Y	85.8	Confident	81	Confident	77 Å²	77	31.1 Å²	31.1	30%	0.302	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	119.3	166.4	-65	-68.7	0	0	0	109.6	T112 D114 K442 G465 M466	T112-Y460 HydrophobicContact CG2-CE2 3.89Å; T112-Y460 WeakPolarHBondContact OG1-CE2 3.45Å; D114-Y460 HydrophobicContact CB-CD2 3.84Å; D114-Y460 HydrophobicContact CB-CE2 4.19Å; K442-Y460 VanDerWaalsContact CD-O 3.27Å; K442-Y460 WeakPolarHBondContact CD-O 3.23Å; K442-Y460 VanDerWaalsContact CE-O 3.26Å; K442-Y460 WeakPolarHBondContact CE-O 3.38Å; K442-Y460 PolarHBondContact NZ-O 2.91Å; Y460-G465 WeakPolarHBondContact CA-O 3.34Å; Y460-M466 HydrophobicContact CD1-CG 3.76Å; Y460-M466 HydrophobicContact CD1-SD 4.44Å; Y460-M466 HydrophobicContact CE1-CG 3.69Å; Y460-M466 HydrophobicContact CE1-SD 3.75Å
461	L	89.8	Confident	81.5	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-83.7	147.2	175.1	-56.2	175.9	0	0	0	110.2	L336 V430 A440 K442 L459 P463 Q464 G465 L467	L336-L461 HydrophobicContact CD2-CD1 3.7Å; V430-L461 HydrophobicContact CG2-CD1 3.96Å; A440-L461 HydrophobicContact CB-CB 3.8Å; A440-L461 HydrophobicContact CB-CD1 3.75Å; A440-L461 HydrophobicContact CB-CG 4.4Å; K442-L461 HydrophobicContact CB-CD2 3.75Å; L459-L461 PolarHBondContact O-N 3.46Å; L461-P463 CarbonylContact O-C 3.59Å; L461-Q464 PolarHBondContact O-N 3.25Å; L461-G465 PolarHBondContact N-O 3.5Å; L461-L467 HydrophobicContact CD1-CB 4.12Å; L461-L467 HydrophobicContact CD2-CB 3.66Å; L461-L467 HydrophobicContact CD2-CD2 4Å; L461-L467 HydrophobicContact CD2-CG 4.46Å; L461-L467 HydrophobicContact CG-CB 3.96Å
462	E	90.1	Very high	82.3	Confident	12 Å²	12	31 Å²	31	6%	0.056	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-90.7	129.4	174.3	-60.1	-60.7	156.9	0	0	110.4	R214 L218 S270 A440 V441	R214-E462 IonicContact CZ-OE1 3.22Å; R214-E462 IonicContact NE-OE1 2.81Å; R214-E462 PolarHBondContact NE-OE1 2.89Å; R214-E462 IonicContact NH2-OE1 3.66Å; R214-E462 PolarHBondContact NH2-OE1 2.72Å; R214-E462 IonicContact NH2-OE2 2.8Å; L218-E462 HydrophobicContact CD2-CB 4.35Å; L218-E462 HydrophobicContact CD2-CG 3.86Å; S270-E462 WeakPolarHBondContact CB-OE2 3.26Å; S270-E462 PolarHBondContact OG-OE2 3.02Å; A440-E462 CarbonylContact C-O 3.36Å; A440-E462 VanDerWaalsContact CA-O 3.32Å; A440-E462 WeakPolarHBondContact CA-O 3.45Å; V441-E462 HydrophobicContact CG2-CB 4.17Å; V441-E462 PolarHBondContact N-O 3.47Å; V441-E462 PolarHBondContact O-N 3.39Å
463	P	85.8	Confident	83.1	Confident	6 Å²	6	29.3 Å²	29.3	4%	0.039	15%	0.15	C	C	.	.	S	Bend	cis	-83.5	-25	-3.3	34.9	-36	0	0	0	113.4	L266 Y269 L337 L461	L266-P463 HydrophobicContact CD2-CG 4.41Å; Y269-P463 HydrophobicContact CD1-CB 3.63Å; Y269-P463 HydrophobicContact CD1-CG 3.68Å; Y269-P463 HydrophobicContact CE1-CB 4.3Å; Y269-P463 HydrophobicContact CE1-CG 4.3Å; L337-P463 HydrophobicContact CD2-CG 3.81Å; L461-P463 CarbonylContact O-C 3.59Å
464	Q	88.1	Confident	83.4	Confident	78 Å²	78	29 Å²	29	36%	0.364	15%	0.148	S	C	.	.	S	Bend	trans	-144.2	133.7	-171.2	-161.4	-161.8	-60	0	0	111.9	D335 L337 L461	D335-Q464 PolarHBondContact O-NE2 2.94Å; L337-Q464 HydrophobicContact CB-CB 4.32Å; L461-Q464 PolarHBondContact O-N 3.25Å
465	G	87.1	Confident	83.1	Confident	9 Å²	9	28.2 Å²	28.2	9%	0.093	15%	0.152	C	C	.	.			trans	135.6	165.6	170.5	0	0	0	0	0	112.9	Q334 D335 Y460 L461	Q334-G465 WeakPolarHBondContact O-CA 3.05Å; D335-G465 VanDerWaalsContact O-CA 3.3Å; D335-G465 WeakPolarHBondContact O-CA 3.34Å; Y460-G465 WeakPolarHBondContact CA-O 3.34Å; L461-G465 PolarHBondContact N-O 3.5Å
466	M	88.5	Confident	83.2	Confident	42 Å²	42	26 Å²	26	21%	0.207	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123	175.6	-78.9	179.1	-73.7	0	0	110.2	C333 Q334 D335 L459 Y460	C333-M466 CarbonylContact C-O 3.59Å; C333-M466 WeakPolarHBondContact CA-O 3.39Å; C333-M466 WeakPolarHBondContact CB-O 3.44Å; Q334-M466 HydrophobicContact CG-CB 4.05Å; Q334-M466 HydrophobicContact CG-CE 4.29Å; Q334-M466 PolarHBondContact N-O 2.79Å; Q334-M466 PolarHBondContact O-N 3.41Å; D335-M466 WeakPolarHBondContact OD2-CE 3.18Å; L459-M466 WeakPolarHBondContact O-CA 3.33Å; Y460-M466 HydrophobicContact CD1-CG 3.76Å; Y460-M466 HydrophobicContact CD1-SD 4.44Å; Y460-M466 HydrophobicContact CE1-CG 3.69Å; Y460-M466 HydrophobicContact CE1-SD 3.75Å
467	L	90.1	Very high	82.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.8	175.9	171.4	71.9	0	0	0	110.2	L330 C333 W412 I428 C458 L459 L461	L330-L467 HydrophobicContact CD2-CD1 4.44Å; L330-L467 HydrophobicContact CD2-CD2 4.44Å; C333-L467 HydrophobicContact CB-CB 4.3Å; C333-L467 HydrophobicContact CB-CD1 4.1Å; W412-L467 HydrophobicContact CZ3-CD1 4Å; I428-L467 HydrophobicContact CB-CD2 4.27Å; I428-L467 HydrophobicContact CD1-CD2 3.86Å; I428-L467 HydrophobicContact CG2-CD2 3.77Å; C458-L467 WeakPolarHBondContact CA-O 3.4Å; L459-L467 HydrophobicContact CB-CB 4.3Å; L459-L467 HydrophobicContact CD1-CD2 4.17Å; L459-L467 PolarHBondContact N-O 3.12Å; L459-L467 PolarHBondContact O-N 2.94Å; L461-L467 HydrophobicContact CD1-CB 4.12Å; L461-L467 HydrophobicContact CD2-CB 3.66Å; L461-L467 HydrophobicContact CD2-CD2 4Å; L461-L467 HydrophobicContact CD2-CG 4.46Å; L461-L467 HydrophobicContact CG-CB 3.96Å
468	F	89.8	Confident	82.5	Confident	44 Å²	44	25.2 Å²	25.2	19%	0.193	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.6	175.3	-58	-79	0	0	0	109.4	M331 G332 Q334 N409 C458	M331-F468 HydrophobicContact CB-CB 4.02Å; M331-F468 WeakPolarHBondContact CB-O 3.38Å; M331-F468 HydrophobicContact CE-CB 4.06Å; M331-F468 PolarHBondContact N-O 3.29Å; G332-F468 PolarHBondContact O-N 2.85Å; Q334-F468 HydrophobicContact CG-CE2 3.81Å; Q334-F468 HydrophobicContact CG-CZ 4.22Å; Q334-F468 VanDerWaalsContact OE1-CE2 3.31Å; N409-F468 HydrophobicContact CB-CD2 3.62Å; N409-F468 HydrophobicContact CB-CE2 3.39Å; N409-F468 HydrophobicContact CB-CZ 4.14Å; C458-F468 HydrophobicContact CB-CD1 4.27Å; C458-F468 HydrophobicContact CB-CE1 4.24Å
469	A	88.6	Confident	81.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.6	-177	0	0	0	0	0	112	R329 L330 M457 L459	R329-A469 CarbonylContact O-C 3.51Å; R329-A469 WeakPolarHBondContact O-CA 3.09Å; L330-A469 HydrophobicContact CD2-CB 3.78Å; M457-A469 HydrophobicContact CG-CB 4Å; M457-A469 WeakPolarHBondContact CG-O 3.37Å; M457-A469 PolarHBondContact N-O 3.12Å; M457-A469 PolarHBondContact O-N 2.84Å; M457-A469 HydrophobicContact SD-CB 4.47Å; L459-A469 HydrophobicContact CD1-CB 4.5Å
470	E	84	Confident	79.7	Confident	29 Å²	29	32.1 Å²	32.1	14%	0.136	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.2	162.6	-44	-170.6	105.9	0	0	109.1	V328 R329 M331 R454 H455	V328-E470 CarbonylContact C-O 3.31Å; V328-E470 WeakPolarHBondContact CA-O 3.39Å; R329-E470 HydrophobicContact CB-CB 4.1Å; R329-E470 HydrophobicContact CB-CG 4.43Å; R329-E470 WeakPolarHBondContact CD-OE2 3.37Å; R329-E470 IonicContact CZ-OE2 3.86Å; R329-E470 PolarHBondContact N-O 3.13Å; R329-E470 IonicContact NE-OE2 3.13Å; R329-E470 IonicContact NH1-OE2 2.65Å; R329-E470 PolarHBondContact NH1-OE2 3.22Å; R329-E470 PolarHBondContact O-N 3.26Å; M331-E470 HydrophobicContact CE-CG 3.71Å; M331-E470 HydrophobicContact SD-CG 4.45Å; R454-E470 IonicContact CZ-OE1 2.64Å; R454-E470 VanDerWaalsContact CZ-OE1 3.27Å; R454-E470 IonicContact CZ-OE2 3.58Å; R454-E470 IonicContact NE-OE1 3.87Å; R454-E470 PolarHBondContact NE-OE1 3.31Å; R454-E470 IonicContact NE-OE2 3.27Å; R454-E470 PolarHBondContact NE-OE2 3.08Å; R454-E470 VanDerWaalsContact NH2-CD 3.25Å; R454-E470 IonicContact NH2-OE1 3.68Å; R454-E470 PolarHBondContact NH2-OE1 3.45Å; R454-E470 IonicContact NH2-OE2 3.01Å; R454-E470 PolarHBondContact NH2-OE2 2.82Å; H455-E470 CarbonylContact O-C 3.54Å; H455-E470 VanDerWaalsContact O-CA 3.27Å; H455-E470 WeakPolarHBondContact O-CA 3.5Å
471	V	83.2	Confident	77.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.1	178.3	-178.5	0	0	0	0	109.6	L326 D327 V328 F449 H455 M457	L326-V471 HydrophobicContact CD1-CG1 3.63Å; L326-V471 HydrophobicContact CG-CG1 4.23Å; D327-V471 CarbonylContact O-C 3.53Å; D327-V471 WeakPolarHBondContact O-CA 3.26Å; V328-V471 HydrophobicContact CG1-CG2 4.41Å; F449-V471 HydrophobicContact CD1-CG1 4.41Å; F449-V471 HydrophobicContact CD2-CG1 4.25Å; F449-V471 HydrophobicContact CG-CG1 4.2Å; H455-V471 PolarHBondContact N-O 2.86Å; H455-V471 PolarHBondContact O-N 3.43Å; M457-V471 HydrophobicContact CE-CB 3.67Å; M457-V471 HydrophobicContact CE-CG2 3.56Å; M457-V471 HydrophobicContact SD-CG2 3.88Å
472	T	82.2	Confident	75	Confident	12 Å²	12	40.5 Å²	40.5	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	116.5	176.4	-43.7	0	0	0	0	109.6	D327 R454 F474	D327-T472 PolarHBondContact N-O 2.7Å; D327-T472 PolarHBondContact O-N 3.12Å; R454-T472 WeakPolarHBondContact CA-OG1 3.43Å; R454-T472 HydrophobicContact CB-CG2 4.21Å; R454-T472 WeakPolarHBondContact CB-OG1 3.47Å; R454-T472 WeakPolarHBondContact CG-OG1 3.44Å; T472-F474 HydrophobicContact CG2-CD2 4.17Å; T472-F474 HydrophobicContact CG2-CE1 4.11Å; T472-F474 HydrophobicContact CG2-CE2 3.53Å; T472-F474 HydrophobicContact CG2-CZ 3.51Å
473	F	81.8	Confident	72.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	107.9	177.3	-164.5	167.2	0	0	0	109.6	L322 L326 L420 F449 L450 N452 P476	L322-F473 HydrophobicContact CB-CE1 4.13Å; L322-F473 HydrophobicContact CB-CZ 4.03Å; L322-F473 HydrophobicContact CD1-CE1 4Å; L326-F473 HydrophobicContact CD1-CB 3.72Å; L326-F473 HydrophobicContact CD1-CD1 4.3Å; L326-F473 HydrophobicContact CD1-CD2 4.49Å; L326-F473 HydrophobicContact CD1-CG 3.94Å; L420-F473 HydrophobicContact CD1-CD2 4.36Å; L420-F473 HydrophobicContact CD1-CE1 3.91Å; L420-F473 HydrophobicContact CD1-CE2 3.67Å; L420-F473 HydrophobicContact CD1-CZ 3.41Å; L420-F473 VanDerWaalsContact CD1-CZ 3.41Å; F449-F473 HydrophobicContact CB-CB 4.13Å; F449-F473 HydrophobicContact CB-CD1 4.41Å; F449-F473 WeakPolarHBondContact O-CB 3.41Å; L450-F473 HydrophobicContact CD2-CD1 4.47Å; L450-F473 HydrophobicContact CD2-CE1 4.12Å; N452-F473 WeakPolarHBondContact CA-O 3.22Å; N452-F473 PolarHBondContact OD1-O 3.44Å; F473-P476 HydrophobicContact CD1-CB 4.06Å; F473-P476 HydrophobicContact CD2-CB 3.98Å; F473-P476 HydrophobicContact CE1-CB 3.79Å; F473-P476 HydrophobicContact CE2-CB 3.67Å; F473-P476 HydrophobicContact CG-CB 4.15Å; F473-P476 HydrophobicContact CZ-CB 3.57Å
474	F	73.4	Confident	70.2	Confident	36 Å²	36	53.4 Å²	53.4	16%	0.158	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.2	174.6	-63.8	-85.7	0	0	0	111.6	Q92 A96 T325 D327 T472	Q92-F474 HydrophobicContact CG-CD1 4.46Å; A96-F474 HydrophobicContact CB-CE1 3.86Å; A96-F474 HydrophobicContact CB-CZ 4.24Å; T325-F474 PolarHBondContact N-O 2.97Å; T325-F474 VanDerWaalsContact N-O 3.11Å; T325-F474 PolarHBondContact O-N 3.4Å; D327-F474 HydrophobicContact CB-CE2 4.02Å; D327-F474 VanDerWaalsContact OD2-CE2 3.3Å; D327-F474 WeakPolarHBondContact OD2-CE2 3.41Å; T472-F474 HydrophobicContact CG2-CD2 4.17Å; T472-F474 HydrophobicContact CG2-CE1 4.11Å; T472-F474 HydrophobicContact CG2-CE2 3.53Å; T472-F474 HydrophobicContact CG2-CZ 3.51Å
475	N	65.7	Low	67.6	Low	87 Å²	87	56.3 Å²	56.3	47%	0.465	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.1	49.6	172.8	-58.1	-36.9	0	0	0	114.1	Q92 N452 V477	Q92-N475 PolarHBondContact NE2-ND2 3.28Å; Q92-N475 PolarHBondContact NE2-OD1 3.27Å; N452-N475 PolarHBondContact OD1-N 3Å; N452-N475 VanDerWaalsContact OD1-N 3.08Å; N475-V477 PolarHBondContact O-N 3.45Å
476	P	73.2	Confident	65	Low	1 Å²	1	62.5 Å²	62.5	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	128.2	177.6	24.9	-32.2	0	0	0	111.2	K177 L450 N452 F473	K177-P476 WeakPolarHBondContact CD-O 3.24Å; K177-P476 VanDerWaalsContact CE-O 3.22Å; K177-P476 WeakPolarHBondContact CE-O 3.43Å; K177-P476 PolarHBondContact NZ-O 3.07Å; L450-P476 HydrophobicContact CD2-CB 3.43Å; L450-P476 VanDerWaalsContact CD2-CB 3.43Å; L450-P476 HydrophobicContact CD2-CG 4.07Å; N452-P476 WeakPolarHBondContact OD1-CD 3.34Å; F473-P476 HydrophobicContact CD1-CB 4.06Å; F473-P476 HydrophobicContact CD2-CB 3.98Å; F473-P476 HydrophobicContact CE1-CB 3.79Å; F473-P476 HydrophobicContact CE2-CB 3.67Å; F473-P476 HydrophobicContact CG-CB 4.15Å; F473-P476 HydrophobicContact CZ-CB 3.57Å
477	V	70	Confident	62.6	Low	56 Å²	56	66.3 Å²	66.3	34%	0.339	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.3	169.3	-178.6	0	0	0	0	107.8	D173 L322 T323 N475	D173-V477 HydrophobicContact CB-CG1 4.49Å; L322-V477 WeakPolarHBondContact CA-O 3.48Å; T323-V477 PolarHBondContact N-O 3.35Å; T323-V477 PolarHBondContact O-N 3.48Å; N475-V477 PolarHBondContact O-N 3.45Å
478	I	69.9	Low	59.8	Low	9 Å²	9	73.5 Å²	73.5	5%	0.046	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	102.4	-175.6	-50.7	-175.2	0	0	0	108.6	K177 F180 A320 L322 L450 R480	K177-I478 HydrophobicContact CB-CD1 4.48Å; K177-I478 HydrophobicContact CG-CD1 4.23Å; F180-I478 HydrophobicContact CB-CD1 3.47Å; F180-I478 VanDerWaalsContact CB-CD1 3.47Å; F180-I478 HydrophobicContact CD1-CD1 3.73Å; F180-I478 HydrophobicContact CD2-CD1 4.21Å; F180-I478 HydrophobicContact CD2-CG2 4.31Å; F180-I478 HydrophobicContact CG-CD1 3.53Å; A320-I478 HydrophobicContact CB-CG2 4.24Å; L322-I478 HydrophobicContact CD2-CB 4.02Å; L322-I478 HydrophobicContact CD2-CG1 3.73Å; L322-I478 HydrophobicContact CD2-CG2 3.91Å; L450-I478 HydrophobicContact CD1-CD1 3.87Å; L450-I478 HydrophobicContact CD2-CD1 4.31Å; L450-I478 HydrophobicContact CD2-CG1 4.26Å; I478-R480 PolarHBondContact O-N 3.48Å; I478-R480 VanDerWaalsContact O-N 3.16Å
479	E	59.4	Low	57.3	Low	73 Å²	73	79.8 Å²	79.8	34%	0.341	36%	0.364	S	S	.	.			trans	-86.4	90.4	179.5	-156.7	-157.2	112.8	0	0	110.3	A321 R422	A321-E479 PolarHBondContact O-N 2.87Å; R422-E479 WeakPolarHBondContact CD-OE2 3.2Å; R422-E479 WeakPolarHBondContact CG-OE2 3.42Å; R422-E479 IonicContact CZ-OE1 3.13Å; R422-E479 IonicContact CZ-OE2 3.83Å; R422-E479 VanDerWaalsContact NE-CD 3.26Å; R422-E479 IonicContact NE-OE1 2.73Å; R422-E479 PolarHBondContact NE-OE1 3.02Å; R422-E479 IonicContact NE-OE2 2.7Å; R422-E479 PolarHBondContact NE-OE2 2.96Å; R422-E479 IonicContact NH2-OE1 3.52Å; R422-E479 PolarHBondContact NH2-OE1 2.68Å
480	R	48.4	Very low	54.8	Low	102 Å²	102	86 Å²	86	39%	0.385	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-73.3	126.9	165.3	-72.5	-169.7	176	-178.6	1.7	109.5	T176 E179 I478 P482	T176-R480 HydrophobicContact CG2-CB 4.29Å; T176-R480 HydrophobicContact CG2-CG 3.92Å; E179-R480 IonicContact OE1-CZ 3.55Å; E179-R480 IonicContact OE1-NH1 2.84Å; E179-R480 PolarHBondContact OE1-NH1 2.87Å; E179-R480 IonicContact OE1-NH2 2.73Å; E179-R480 PolarHBondContact OE1-NH2 3.41Å; E179-R480 IonicContact OE2-CZ 2.94Å; E179-R480 IonicContact OE2-NH1 2.61Å; E179-R480 PolarHBondContact OE2-NH1 3.39Å; E179-R480 IonicContact OE2-NH2 3.35Å; I478-R480 PolarHBondContact O-N 3.48Å; I478-R480 VanDerWaalsContact O-N 3.16Å; R480-P482 WeakPolarHBondContact O-CD 3.38Å
481	R	42.9	Very low	52.2	Low	170 Å²	170	92.1 Å²	92.1	64%	0.642	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-53.9	124.9	150.3	-84.1	-171.6	165.6	-155.6	-13.2	107.1	K483 D851	R481-K483 PolarHBondContact O-N 3.1Å; R481-K483 VanDerWaalsContact O-N 3.14Å; R481-D851 IonicContact CZ-OD1 2.76Å; R481-D851 IonicContact NH2-OD1 3.26Å; R481-D851 PolarHBondContact NH2-OD1 3.13Å; R481-D851 IonicContact NH2-OD2 2.63Å
482	P	32.3	Very low	49.8	Very low	85 Å²	85	96.8 Å²	96.8	55%	0.552	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-60.8	117.6	165.7	-17.1	30.6	0	0	0	107.5	R480 L484 Q485	R480-P482 WeakPolarHBondContact O-CD 3.38Å; P482-L484 PolarHBondContact O-N 3.25Å; P482-Q485 HydrophobicContact CB-CB 3.84Å; P482-Q485 HydrophobicContact CB-CG 3.81Å
483	K	37.9	Very low	47.8	Very low	196 Å²	196	105.7 Å²	105.7	85%	0.852	49%	0.493	S	S	*	.	S	Bend	trans	-66.6	113.7	162.1	-74.5	-169.1	171.3	-164.6	0	106	R481	R481-K483 PolarHBondContact O-N 3.1Å; R481-K483 VanDerWaalsContact O-N 3.14Å
484	L	38.2	Very low	45.5	Very low	93 Å²	93	113.5 Å²	113.5	49%	0.487	53%	0.53	S	S	.	.	S	Bend	trans	44.1	73.1	176.2	-65.6	169.3	0	0	0	114.1	P482 M737 H741	P482-L484 PolarHBondContact O-N 3.25Å; L484-M737 HydrophobicContact CD1-SD 4.32Å; L484-H741 VanDerWaalsContact CB-NE2 3.26Å; L484-H741 WeakPolarHBondContact CB-NE2 3.48Å; L484-H741 PolarHBondContact O-NE2 3.36Å
485	Q	33.2	Very low	43.6	Very low	139 Å²	139	120.5 Å²	120.5	65%	0.65	56%	0.563	S	S	*	*			trans	-102.7	109.1	159.8	-80.4	-166	-9.8	0	0	111.2	P482 Q487	P482-Q485 HydrophobicContact CB-CB 3.84Å; P482-Q485 HydrophobicContact CB-CG 3.81Å; Q485-Q487 PolarHBondContact O-N 3.38Å
486	R	32.3	Very low	42.3	Very low	138 Å²	138	119.6 Å²	119.6	52%	0.521	57%	0.574	S	S	.	*			trans	-24.8	122.3	169.1	-159.7	176.1	-169.9	-134.4	2.9	113.2	K488 R656	R486-K488 PolarHBondContact O-N 2.96Å; R486-R656 PolarHBondContact NH2-O 2.8Å
487	Q	38.4	Very low	40.6	Very low	122 Å²	122	128.5 Å²	128.5	57%	0.57	61%	0.613	S	S	*	*			trans	-46.9	100.7	-170.9	-71.6	-173.1	-16.6	0	0	114.5	Q485 K489	Q485-Q487 PolarHBondContact O-N 3.38Å; Q487-K489 VanDerWaalsContact C-N 3.28Å; Q487-K489 PolarHBondContact O-N 3.42Å
488	K	32	Very low	39.3	Very low	152 Å²	152	132.1 Å²	132.1	66%	0.661	64%	0.635	S	S	*	*			trans	-80.9	71.3	174.9	-83.4	174.6	175.9	165.6	0	111.7	R486 I490 E940	R486-K488 PolarHBondContact O-N 2.96Å; K488-I490 PolarHBondContact O-N 3.42Å; K488-E940 IonicContact NZ-OE2 3.89Å; K488-E940 PolarHBondContact NZ-OE2 3.26Å
489	K	37.4	Very low	37.8	Very low	175 Å²	175	136.8 Å²	136.8	76%	0.761	66%	0.655	S	S	*	*			trans	26.6	86.5	167.1	-73.2	-169.2	172.5	-174.9	0	115.9	Q487 F491	Q487-K489 VanDerWaalsContact C-N 3.28Å; Q487-K489 PolarHBondContact O-N 3.42Å; K489-F491 PolarHBondContact O-N 3.16Å; K489-F491 VanDerWaalsContact O-N 3.11Å
490	I	35.1	Very low	37.2	Very low	132 Å²	132	136.2 Å²	136.2	68%	0.677	66%	0.658	S	S	*	*			trans	-77.4	98.9	-176.4	-52.4	178.3	0	0	0	111.4	K488	K488-I490 PolarHBondContact O-N 3.42Å
491	F	28.7	Very low	37.4	Very low	156 Å²	156	136.7 Å²	136.7	68%	0.684	66%	0.659	S	S	*	*			trans	-128.7	80.4	153.9	-83.4	-45.1	0	0	0	110.7	K489 K493	K489-F491 PolarHBondContact O-N 3.16Å; K489-F491 VanDerWaalsContact O-N 3.11Å; F491-K493 PolarHBondContact O-N 2.95Å
492	S	34.5	Very low	37.6	Very low	99 Å²	99	128.8 Å²	128.8	69%	0.692	63%	0.631	S	S	*	*			trans	-59.3	122.3	164.8	-178.2	0	0	0	0	109.8	Q494	S492-Q494 PolarHBondContact O-N 3.11Å
493	K	39.6	Very low	38.1	Very low	198 Å²	198	129.7 Å²	129.7	86%	0.861	64%	0.636	S	S	*	*	S	Bend	trans	-97.1	20	-160.3	-149.3	172.6	-175.6	174.2	0	114.4	F491	F491-K493 PolarHBondContact O-N 2.95Å
494	Q	33.2	Very low	38.8	Very low	165 Å²	165	127 Å²	127	77%	0.771	63%	0.627	S	S	*	*	S	Bend	trans	-131	-21.2	-167.6	-68.2	-160.8	-23.9	0	0	118.9	S492	S492-Q494 PolarHBondContact O-N 3.11Å
495	Q	33.9	Very low	39.1	Very low	183 Å²	183	126.1 Å²	126.1	86%	0.855	62%	0.621	S	S	*	*	S	Bend	trans	-99.2	-17.9	179.7	-67.9	-166.8	1.9	0	0	115.4	K497	Q495-K497 VanDerWaalsContact C-N 3.25Å; Q495-K497 PolarHBondContact O-N 3.32Å
496	G	37.6	Very low	39.9	Very low	68 Å²	68	127 Å²	127	70%	0.701	63%	0.63	S	S	*	*			trans	-78.2	55.5	176.2	0	0	0	0	0	114.8
497	K	37	Very low	40.4	Very low	188 Å²	188	122.9 Å²	122.9	82%	0.817	62%	0.618	S	S	*	*			trans	-107.1	-1.1	-175	-93.2	-162.8	174.7	-170.9	0	116.5	Q495	Q495-K497 VanDerWaalsContact C-N 3.25Å; Q495-K497 PolarHBondContact O-N 3.32Å
498	T	43.2	Very low	40.9	Very low	131 Å²	131	122.2 Å²	122.2	80%	0.804	62%	0.618	S	S	*	*	S	Bend	trans	-119.2	-5.6	-177.5	42.3	0	0	0	0	114.8
499	F	38.8	Very low	41.5	Very low	107 Å²	107	120.5 Å²	120.5	47%	0.469	62%	0.615	S	S	.	*	S	Bend	trans	-132.1	127.8	170.7	-102.7	-93.3	0	0	0	111.3	A519	F499-A519 HydrophobicContact CE1-CB 4.19Å; F499-A519 HydrophobicContact CE2-CB 4.37Å; F499-A519 HydrophobicContact CZ-CB 3.56Å
500	P	47	Very low	42.1	Very low	61 Å²	61	114.4 Å²	114.4	40%	0.396	60%	0.597	S	S	.	*			trans	-70.9	147.7	173.3	28	-31.8	0	0	0	111.6	Q504 M505 W512	P500-Q504 HydrophobicContact CB-CB 4.31Å; P500-M505 HydrophobicContact CB-CG 4.04Å; P500-M505 HydrophobicContact CB-SD 4.46Å; P500-M505 HydrophobicContact CG-CG 3.88Å; P500-M505 HydrophobicContact CG-SD 3.84Å; P500-W512 PolarHBondContact O-NE1 3.17Å
501	R	51.8	Low	42.8	Very low	113 Å²	113	110.8 Å²	110.8	43%	0.426	58%	0.582	S	S	.	*			trans	-78.3	156.7	-179.7	-60.9	-179.4	173.8	-155	-7.9	111.4	P503 Q504 M505	R501-P503 VanDerWaalsContact C-CD 3.48Å; R501-P503 VanDerWaalsContact O-N 3.16Å; R501-Q504 HydrophobicContact CB-CG 4.35Å; R501-Q504 WeakPolarHBondContact O-CA 3.42Å; R501-Q504 WeakPolarHBondContact O-CB 3.43Å; R501-Q504 PolarHBondContact O-N 3.03Å; R501-M505 PolarHBondContact O-N 2.75Å
502	A	48.6	Very low	44	Very low	4 Å²	4	106.9 Å²	106.9	3%	0.033	56%	0.562	C	S	.	*	G	3₁₀ helix	trans	-47	-45.3	-179.3	0	0	0	0	0	115.1	Q504 M505 N506 I507 I509 W512	A502-Q504 VanDerWaalsContact C-N 3.28Å; A502-Q504 PolarHBondContact O-N 3.44Å; A502-M505 PolarHBondContact O-N 3.12Å; A502-M505 VanDerWaalsContact O-N 3.13Å; A502-N506 PolarHBondContact O-N 3.02Å; A502-I507 HydrophobicContact CB-CG1 4.33Å; A502-I507 WeakPolarHBondContact CB-O 3.32Å; A502-I507 PolarHBondContact O-N 3.35Å; A502-I509 HydrophobicContact CB-CD1 3.93Å; A502-W512 HydrophobicContact CB-CB 3.5Å; A502-W512 HydrophobicContact CB-CD2 4.26Å; A502-W512 HydrophobicContact CB-CG 3.6Å
503	P	42.3	Very low	44.6	Very low	103 Å²	103	103.6 Å²	103.6	67%	0.669	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-70.3	-21.5	177.8	-18	33.4	0	0	0	114	R501 M505	R501-P503 VanDerWaalsContact C-CD 3.48Å; R501-P503 VanDerWaalsContact O-N 3.16Å; P503-M505 PolarHBondContact O-N 3Å
504	Q	52.9	Low	45.6	Very low	140 Å²	140	101.6 Å²	101.6	65%	0.654	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-81.6	-5.9	175.9	-58.5	174.7	-46	0	0	112.2	P500 R501 A502	P500-Q504 HydrophobicContact CB-CB 4.31Å; R501-Q504 HydrophobicContact CB-CG 4.35Å; R501-Q504 WeakPolarHBondContact O-CA 3.42Å; R501-Q504 WeakPolarHBondContact O-CB 3.43Å; R501-Q504 PolarHBondContact O-N 3.03Å; A502-Q504 VanDerWaalsContact C-N 3.28Å; A502-Q504 PolarHBondContact O-N 3.44Å
505	M	44.4	Very low	46.3	Very low	75 Å²	75	97.3 Å²	97.3	37%	0.369	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	0.4	178.4	-65.4	-178.1	76.8	0	0	112.8	P500 R501 A502 P503 I507	P500-M505 HydrophobicContact CB-CG 4.04Å; P500-M505 HydrophobicContact CB-SD 4.46Å; P500-M505 HydrophobicContact CG-CG 3.88Å; P500-M505 HydrophobicContact CG-SD 3.84Å; R501-M505 PolarHBondContact O-N 2.75Å; A502-M505 PolarHBondContact O-N 3.12Å; A502-M505 VanDerWaalsContact O-N 3.13Å; P503-M505 PolarHBondContact O-N 3Å; M505-I507 VanDerWaalsContact C-N 3.29Å; M505-I507 HydrophobicContact CB-CD1 4.16Å; M505-I507 HydrophobicContact CB-CG1 3.98Å; M505-I507 HydrophobicContact CE-CD1 4.26Å; M505-I507 PolarHBondContact O-N 3.45Å; M505-I507 HydrophobicContact SD-CD1 4.06Å
506	N	49	Very low	47.2	Very low	157 Å²	157	90.5 Å²	90.5	84%	0.84	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	42.6	-170.1	-72.6	-6.4	0	0	0	113.8	A502	A502-N506 PolarHBondContact O-N 3.02Å
507	I	42.6	Very low	47.9	Very low	51 Å²	51	96.9 Å²	96.9	26%	0.262	49%	0.487	S	S	.	.			trans	-123.3	148.9	175.2	64.8	-179	0	0	0	112.3	A502 M505 W512	A502-I507 HydrophobicContact CB-CG1 4.33Å; A502-I507 WeakPolarHBondContact CB-O 3.32Å; A502-I507 PolarHBondContact O-N 3.35Å; M505-I507 VanDerWaalsContact C-N 3.29Å; M505-I507 HydrophobicContact CB-CD1 4.16Å; M505-I507 HydrophobicContact CB-CG1 3.98Å; M505-I507 HydrophobicContact CE-CD1 4.26Å; M505-I507 PolarHBondContact O-N 3.45Å; M505-I507 HydrophobicContact SD-CD1 4.06Å; I507-W512 HydrophobicContact CD1-CB 3.83Å; I507-W512 HydrophobicContact CD1-CG 4.42Å; I507-W512 HydrophobicContact CG1-CB 4.09Å
508	N	50.5	Low	48.4	Very low	108 Å²	108	98.8 Å²	98.8	58%	0.578	49%	0.489	S	S	*	.			trans	-60.2	142.3	172.5	179.6	-58.7	0	0	0	111	A510 T511 W512	N508-A510 VanDerWaalsContact C-N 3.29Å; N508-A510 PolarHBondContact O-N 3.29Å; N508-A510 WeakPolarHBondContact OD1-CB 3.2Å; N508-A510 PolarHBondContact OD1-N 3.27Å; N508-T511 WeakPolarHBondContact O-CA 3.17Å; N508-T511 WeakPolarHBondContact O-CB 3.28Å; N508-T511 PolarHBondContact O-N 2.93Å; N508-W512 PolarHBondContact O-N 2.95Å
509	I	43.8	Very low	48.2	Very low	116 Å²	116	95 Å²	95	60%	0.595	47%	0.471	S	S	*	.	H	α-helix	trans	-54.6	-39.1	-177.7	-164.2	66.3	0	0	0	113.4	A502 T511 W512 G513	A502-I509 HydrophobicContact CB-CD1 3.93Å; I509-T511 VanDerWaalsContact C-N 3.3Å; I509-T511 PolarHBondContact O-N 3.44Å; I509-W512 HydrophobicContact CD1-CE3 4.1Å; I509-W512 WeakPolarHBondContact O-CB 3.43Å; I509-W512 PolarHBondContact O-N 2.98Å; I509-G513 PolarHBondContact O-N 3.49Å
510	A	48.9	Very low	48.2	Very low	47 Å²	47	95.3 Å²	95.3	39%	0.388	48%	0.476	S	S	.	.	H	α-helix	trans	-68.6	-28.7	177	0	0	0	0	0	112.5	N508 R514	N508-A510 VanDerWaalsContact C-N 3.29Å; N508-A510 PolarHBondContact O-N 3.29Å; N508-A510 WeakPolarHBondContact OD1-CB 3.2Å; N508-A510 PolarHBondContact OD1-N 3.27Å; A510-R514 WeakPolarHBondContact O-CG 3.49Å; A510-R514 PolarHBondContact O-N 2.75Å; A510-R514 PolarHBondContact O-NE 2.92Å; A510-R514 PolarHBondContact O-NH2 3.41Å
511	T	51	Low	47.4	Very low	57 Å²	57	98.1 Å²	98.1	35%	0.35	49%	0.494	S	S	.	.	H	α-helix	trans	-78.2	-34.8	172.6	-66.8	0	0	0	0	111.4	N508 I509 R514 L515	N508-T511 WeakPolarHBondContact O-CA 3.17Å; N508-T511 WeakPolarHBondContact O-CB 3.28Å; N508-T511 PolarHBondContact O-N 2.93Å; I509-T511 VanDerWaalsContact C-N 3.3Å; I509-T511 PolarHBondContact O-N 3.44Å; T511-R514 PolarHBondContact OG1-NH2 2.96Å; T511-L515 WeakPolarHBondContact O-CB 3.37Å; T511-L515 PolarHBondContact O-N 3.48Å; T511-L515 VanDerWaalsContact O-N 3.15Å
512	W	53.5	Low	46.4	Very low	74 Å²	74	100.3 Å²	100.3	28%	0.28	51%	0.514	S	S	.	.	H	α-helix	trans	-63.4	-47.1	172.1	-179.1	86.8	0	0	0	111.9	P500 A502 I507 N508 I509 R514 L515 V516	P500-W512 PolarHBondContact O-NE1 3.17Å; A502-W512 HydrophobicContact CB-CB 3.5Å; A502-W512 HydrophobicContact CB-CD2 4.26Å; A502-W512 HydrophobicContact CB-CG 3.6Å; I507-W512 HydrophobicContact CD1-CB 3.83Å; I507-W512 HydrophobicContact CD1-CG 4.42Å; I507-W512 HydrophobicContact CG1-CB 4.09Å; N508-W512 PolarHBondContact O-N 2.95Å; I509-W512 HydrophobicContact CD1-CE3 4.1Å; I509-W512 WeakPolarHBondContact O-CB 3.43Å; I509-W512 PolarHBondContact O-N 2.98Å; W512-R514 VanDerWaalsContact C-N 3.35Å; W512-R514 PolarHBondContact O-N 3.24Å; W512-L515 WeakPolarHBondContact O-CA 3.47Å; W512-L515 WeakPolarHBondContact O-CB 3.34Å; W512-L515 PolarHBondContact O-N 3.19Å; W512-V516 HydrophobicContact CD2-CG2 3.94Å; W512-V516 HydrophobicContact CE3-CG2 4.21Å; W512-V516 HydrophobicContact CH2-CG2 4.02Å; W512-V516 HydrophobicContact CZ2-CG2 3.75Å; W512-V516 HydrophobicContact CZ3-CG2 4.24Å; W512-V516 PolarHBondContact O-N 3.49Å
513	G	47.7	Very low	45.3	Very low	29 Å²	29	108.2 Å²	108.2	30%	0.299	56%	0.555	S	S	.	*	H	α-helix	trans	-59.2	-42	176.7	0	0	0	0	0	113.1	I509 L515 R517	I509-G513 PolarHBondContact O-N 3.49Å; G513-L515 PolarHBondContact O-N 2.85Å; G513-R517 WeakPolarHBondContact O-CB 3.05Å; G513-R517 PolarHBondContact O-N 3.35Å
514	R	59.5	Low	44.6	Very low	156 Å²	156	108.2 Å²	108.2	59%	0.589	56%	0.558	S	S	*	*	H	α-helix	trans	-61.3	-28.5	171.4	-76.1	-176.5	-71.1	-102	0.7	113.6	A510 T511 W512	A510-R514 WeakPolarHBondContact O-CG 3.49Å; A510-R514 PolarHBondContact O-N 2.75Å; A510-R514 PolarHBondContact O-NE 2.92Å; A510-R514 PolarHBondContact O-NH2 3.41Å; T511-R514 PolarHBondContact OG1-NH2 2.96Å; W512-R514 VanDerWaalsContact C-N 3.35Å; W512-R514 PolarHBondContact O-N 3.24Å
515	L	47.7	Very low	43.3	Very low	76 Å²	76	108.3 Å²	108.3	40%	0.398	57%	0.568	S	S	.	*	H	α-helix	trans	-85.1	-39.7	-177.3	-158.8	148.7	0	0	0	111.4	T511 W512 G513 R518 A519	T511-L515 WeakPolarHBondContact O-CB 3.37Å; T511-L515 PolarHBondContact O-N 3.48Å; T511-L515 VanDerWaalsContact O-N 3.15Å; W512-L515 WeakPolarHBondContact O-CA 3.47Å; W512-L515 WeakPolarHBondContact O-CB 3.34Å; W512-L515 PolarHBondContact O-N 3.19Å; G513-L515 PolarHBondContact O-N 2.85Å; L515-R518 PolarHBondContact O-N 3.36Å; L515-A519 PolarHBondContact O-N 3.49Å
516	V	52.5	Low	42.4	Very low	40 Å²	40	111.5 Å²	111.5	24%	0.242	59%	0.587	C	S	.	*	H	α-helix	trans	-59.7	-49.5	170.6	173.6	0	0	0	0	110.7	W512 R518 A519	W512-V516 HydrophobicContact CD2-CG2 3.94Å; W512-V516 HydrophobicContact CE3-CG2 4.21Å; W512-V516 HydrophobicContact CH2-CG2 4.02Å; W512-V516 HydrophobicContact CZ2-CG2 3.75Å; W512-V516 HydrophobicContact CZ3-CG2 4.24Å; W512-V516 PolarHBondContact O-N 3.49Å; V516-R518 PolarHBondContact O-N 2.87Å; V516-A519 PolarHBondContact O-N 3.43Å
517	R	53.9	Low	41.4	Very low	202 Å²	202	109.5 Å²	109.5	76%	0.762	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-13.7	177.4	-163.5	178.3	-68.2	173	-2.8	113.8	G513	G513-R517 WeakPolarHBondContact O-CB 3.05Å; G513-R517 PolarHBondContact O-N 3.35Å
518	R	47.2	Very low	40.6	Very low	228 Å²	228	116.3 Å²	116.3	86%	0.86	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-7.1	177.7	-145.5	177.9	-165.7	175.9	4.6	114	L515 V516	L515-R518 PolarHBondContact O-N 3.36Å; V516-R518 PolarHBondContact O-N 2.87Å
519	A	39.4	Very low	39.4	Very low	52 Å²	52	116.4 Å²	116.4	43%	0.43	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101	-12.3	-178.7	0	0	0	0	0	113.8	F499 L515 V516	F499-A519 HydrophobicContact CE1-CB 4.19Å; F499-A519 HydrophobicContact CE2-CB 4.37Å; F499-A519 HydrophobicContact CZ-CB 3.56Å; L515-A519 PolarHBondContact O-N 3.49Å; V516-A519 PolarHBondContact O-N 3.43Å
520	I	38.8	Very low	38.7	Very low	113 Å²	113	117.1 Å²	117.1	58%	0.579	63%	0.634	S	S	*	*	S	Bend	trans	-79.3	129.7	174	-58.9	171.8	0	0	0	108.7	N522	I520-N522 PolarHBondContact O-N 3.1Å
521	P	29.1	Very low	37.6	Very low	120 Å²	120	124.1 Å²	124.1	78%	0.779	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-67.5	117.9	176.2	-20	32.8	0	0	0	111.7	L523	P521-L523 PolarHBondContact O-N 2.87Å
522	N	30.6	Very low	36.4	Very low	158 Å²	158	125.7 Å²	125.7	85%	0.845	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-59.4	121.3	176.2	-73.6	-17	0	0	0	111.5	I520	I520-N522 PolarHBondContact O-N 3.1Å
523	L	25.8	Very low	35.4	Very low	171 Å²	171	128.3 Å²	128.3	90%	0.895	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-96.3	122.9	159.9	-152	73.3	0	0	0	108.7	P521	P521-L523 PolarHBondContact O-N 2.87Å
524	S	27.3	Very low	34.3	Very low	103 Å²	103	136.3 Å²	136.3	72%	0.72	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-71.7	127.5	-160.9	54.9	0	0	0	0	115.1
525	T	26.3	Very low	32.8	Very low	141 Å²	141	138 Å²	138	87%	0.865	75%	0.751	S	S	*	*			trans	-105.5	131.9	153.2	42.7	0	0	0	0	109.5
526	N	26.4	Very low	31.8	Very low	143 Å²	143	138 Å²	138	77%	0.765	77%	0.769	S	S	*	*			trans	-81.4	141	-177.2	-74.8	-25.7	0	0	0	111.4
527	S	26.7	Very low	30.7	Very low	114 Å²	114	145.8 Å²	145.8	80%	0.797	80%	0.803	S	S	*	*			trans	-76.6	138.7	169.2	49.9	0	0	0	0	111.6
528	F	25.9	Very low	29.4	Very low	195 Å²	195	139.6 Å²	139.6	86%	0.855	80%	0.802	S	S	*	*			trans	-139.8	126.8	159.9	-85.9	-78.9	0	0	0	109.3
529	S	24.5	Very low	28.4	Very low	110 Å²	110	134 Å²	134	77%	0.769	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-92.3	148.2	168.5	-64.9	0	0	0	0	109.7
530	P	30.2	Very low	28	Very low	130 Å²	130	138.1 Å²	138.1	84%	0.844	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-73.2	131.3	178.7	29.7	-34	0	0	0	111.4
531	Q	25.1	Very low	28.1	Very low	194 Å²	194	138.6 Å²	138.6	91%	0.907	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-85.6	149.8	164.2	-73.9	-177.5	-68	0	0	110.7
532	A	26.9	Very low	27.9	Very low	90 Å²	90	136.8 Å²	136.8	74%	0.744	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76.7	156.5	174.1	0	0	0	0	0	111.6
533	P	31.5	Very low	27.7	Very low	129 Å²	129	134.7 Å²	134.7	84%	0.838	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-80.9	134.5	-176.9	31.8	-34.5	0	0	0	112.9
534	E	24.3	Very low	28.4	Very low	197 Å²	197	132.1 Å²	132.1	92%	0.921	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86.3	147.2	165.4	-66.7	-170	140.9	0	0	111.4
535	M	29.1	Very low	28.3	Very low	192 Å²	192	133.4 Å²	133.4	95%	0.946	83%	0.825	S	S	*	*			trans	-118.9	135.4	172.9	-86.1	-167.5	170.8	0	0	111.6
536	G	27.2	Very low	29	Very low	77 Å²	77	131.9 Å²	131.9	79%	0.794	82%	0.818	S	S	*	*			trans	53	114	137.1	0	0	0	0	0	119.9
537	H	29.6	Very low	29	Very low	203 Å²	203	130.3 Å²	130.3	94%	0.94	82%	0.818	S	S	*	*			trans	-55.6	137.8	165.5	-75.8	-83.2	0	0	0	113.4
538	G	26.1	Very low	29.1	Very low	72 Å²	72	130.7 Å²	130.7	74%	0.742	82%	0.821	S	S	*	*			trans	-146	157.3	164.5	0	0	0	0	0	109.8
539	S	26.6	Very low	29	Very low	109 Å²	109	128 Å²	128	76%	0.762	82%	0.815	S	S	*	*			trans	-135.6	150.2	-155.1	-50.3	0	0	0	0	115.9
540	V	30.4	Very low	29.7	Very low	139 Å²	139	128.1 Å²	128.1	84%	0.842	81%	0.813	S	S	*	*			trans	71	167.4	162.1	-117.8	0	0	0	0	116.7
541	P	40.3	Very low	29.7	Very low	123 Å²	123	128.4 Å²	128.4	80%	0.799	81%	0.807	S	S	*	*				-131.7	175.8	-105.5	45.4	-29.6	0	0	0	117
542	G	25.6	Very low	29.8	Very low	82 Å²	82	124.6 Å²	124.6	85%	0.845	80%	0.797	S	S	*	*			trans	-176.5	145.3	164.4	0	0	0	0	0	114.3
543	S	26.3	Very low	29.7	Very low	115 Å²	115	127 Å²	127	80%	0.804	80%	0.802	S	S	*	*			trans	-139.2	174.9	178.6	67.8	0	0	0	0	109.2
544	P	40.3	Very low	29.5	Very low	117 Å²	117	128.6 Å²	128.6	76%	0.76	80%	0.796	S	S	*	*			cis	-135.7	-158.7	11.9	42.4	-21.4	0	0	0	116.3
545	T	25.5	Very low	29.5	Very low	129 Å²	129	126.8 Å²	126.8	79%	0.791	79%	0.792	S	S	*	*			trans	-85.7	-168.3	-169.2	52.7	0	0	0	0	113
546	P	40.6	Very low	29.4	Very low	109 Å²	109	123.7 Å²	123.7	71%	0.708	78%	0.779	S	S	*	*			cis	-148.8	161.3	10.5	46.1	-25.7	0	0	0	121.9
547	S	26.1	Very low	29.5	Very low	111 Å²	111	130 Å²	130	78%	0.776	79%	0.785	S	S	*	*			trans	43	131.9	137.5	69.6	0	0	0	0	125.3
548	S	28.8	Very low	29.5	Very low	121 Å²	121	127.6 Å²	127.6	85%	0.846	78%	0.779	S	S	*	*				-164.4	123.4	121.7	60	0	0	0	0	113.6
549	D	24.3	Very low	29.6	Very low	139 Å²	139	133.9 Å²	133.9	74%	0.743	79%	0.786	S	S	*	*			trans	-84.2	-174.1	169.3	-101	-49.4	0	0	0	111.7
550	P	39.9	Very low	29.8	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	78%	0.784	S	S	*	*			cis	-126.6	175.1	8.4	26.5	-0.6	0	0	0	114.3
551	L	29.5	Very low	30.1	Very low	137 Å²	137	135.3 Å²	135.3	72%	0.717	78%	0.782	S	S	*	*			cis	65.8	151	45.4	-64.4	169.1	0	0	0	115.3
552	V	27.5	Very low	29.6	Very low	114 Å²	114	135.2 Å²	135.2	69%	0.691	78%	0.779	S	S	*	*			cis	-177	146.1	-41.1	123.5	0	0	0	0	109.1	K554	V552-K554 HydrophobicContact CG1-CB 4.46Å
553	T	25.2	Very low	30.7	Very low	139 Å²	139	137.3 Å²	137.3	85%	0.853	78%	0.778	S	S	*	*			trans	-153.4	121.7	157.9	44.8	0	0	0	0	108.9
554	K	25.9	Very low	30.7	Very low	164 Å²	164	135.2 Å²	135.2	71%	0.713	77%	0.774	S	S	*	*			cis	95.7	114	22.1	-168	-175.2	-177.4	-178.4	0	114.8	V552	V552-K554 HydrophobicContact CG1-CB 4.46Å
555	L	25.6	Very low	30.8	Very low	158 Å²	158	135.3 Å²	135.3	83%	0.827	78%	0.775	S	S	*	*				-177.8	144.2	128.3	-98.7	164.5	0	0	0	112.1
556	D	27	Very low	30.9	Very low	128 Å²	128	137.8 Å²	137.8	68%	0.684	78%	0.775	S	S	*	*			trans	-97.6	169.8	-179.8	-50.8	-90.6	0	0	0	112.4
557	F	27.6	Very low	30.3	Very low	210 Å²	210	139.8 Å²	139.8	92%	0.921	78%	0.775	S	S	*	*				-168	141.6	127.8	-111.4	-69	0	0	0	113.7
558	D	30	Very low	30.3	Very low	151 Å²	151	144.8 Å²	144.8	81%	0.807	78%	0.778	S	S	*	*			trans	-113.9	130.3	178.9	-123.5	-28.8	0	0	0	110.9
559	K	28.6	Very low	30.1	Very low	205 Å²	205	143.3 Å²	143.3	89%	0.891	77%	0.773	S	S	*	*			trans	169.8	143.4	135.4	-100.2	177.1	177.5	178.4	0	116.3
560	E	30.9	Very low	30.3	Very low	155 Å²	155	141.3 Å²	141.3	72%	0.724	78%	0.776	S	S	*	*			trans	-87.6	161.8	163.2	-133	-173.8	-125	0	0	111.2
561	P	36.1	Very low	30.8	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	77%	0.772	S	S	*	*				-148.8	-170.2	82.1	40.4	-20.8	0	0	0	116.4
562	T	30.5	Very low	30.8	Very low	120 Å²	120	141.4 Å²	141.4	74%	0.736	78%	0.777	S	S	*	*			trans	-95.2	173.6	-160	24.2	0	0	0	0	116.4
563	P	49.2	Very low	30.9	Very low	127 Å²	127	142.1 Å²	142.1	83%	0.825	78%	0.776	S	S	*	*			trans	-113.5	179.9	-145.2	43.5	-39.4	0	0	0	118.4
564	G	25	Very low	31.1	Very low	70 Å²	70	142.5 Å²	142.5	72%	0.722	78%	0.778	S	S	*	*			trans	-152.1	161.7	165.5	0	0	0	0	0	113.7
565	P	43.7	Very low	31.2	Very low	119 Å²	119	144.2 Å²	144.2	77%	0.773	78%	0.78	S	S	*	*			trans	-134.5	168	-151.7	38.7	-20.5	0	0	0	119.5
566	K	27.1	Very low	31.3	Very low	181 Å²	181	143.2 Å²	143.2	79%	0.787	77%	0.771	S	S	*	*			trans	103.7	152.9	152.9	-55.6	179.2	-178.9	179	0	120.7
567	H	26.8	Very low	31.6	Very low	152 Å²	152	142.2 Å²	142.2	70%	0.704	77%	0.772	S	S	*	*			trans	99.9	89.7	153.4	-68.4	-78.1	0	0	0	122.8
568	Y	26.9	Very low	32	Very low	215 Å²	215	138 Å²	138	84%	0.843	77%	0.766	S	S	*	*				48.7	133.2	128.2	-71.8	-84.3	0	0	0	125.9
569	A	24.1	Very low	31.9	Very low	91 Å²	91	137.7 Å²	137.7	75%	0.752	77%	0.769	S	S	*	*			trans	86.3	105.2	136.3	0	0	0	0	0	122.9
570	A	29.9	Very low	31.9	Very low	96 Å²	96	136.2 Å²	136.2	79%	0.793	77%	0.765	S	S	*	*				48.5	162	108.2	0	0	0	0	0	121.3
571	P	49.8	Very low	31.9	Very low	100 Å²	100	136 Å²	136	65%	0.649	77%	0.769	S	S	*	*			cis	-144.2	-165.9	15.3	46.4	-26.5	0	0	0	117.9
572	D	29	Very low	31.6	Very low	152 Å²	152	139.4 Å²	139.4	81%	0.813	77%	0.771	S	S	*	*			trans	69.6	152.4	154.5	-57.8	-18.1	0	0	0	123
573	D	30.4	Very low	31.8	Very low	128 Å²	128	142.4 Å²	142.4	68%	0.684	78%	0.779	S	S	*	*			cis	-171.1	132.4	-34.1	179	28.7	0	0	0	110.3
574	V	29.3	Very low	31.2	Very low	148 Å²	148	142 Å²	142	90%	0.897	78%	0.777	S	S	*	*			trans	-152.9	138.6	156.9	-175.2	0	0	0	0	111
575	R	27.8	Very low	31.8	Very low	199 Å²	199	144.7 Å²	144.7	75%	0.751	77%	0.774	S	S	*	*			trans	-137.9	152.2	-164.2	172	-175.5	166.4	-144.4	-11.1	109.7
576	E	28.6	Very low	31.6	Very low	137 Å²	137	146.8 Å²	146.8	64%	0.64	77%	0.771	S	S	*	*			cis	-143.7	-149.2	13.8	-136.2	171.6	-117.5	0	0	107.3
577	P	33.4	Very low	32.2	Very low	107 Å²	107	143.2 Å²	143.2	70%	0.695	76%	0.757	S	S	*	*			cis	-127.3	-177.7	-30.3	30.6	-7.8	0	0	0	114.1
578	P	34.7	Very low	32.8	Very low	123 Å²	123	143 Å²	143	80%	0.799	76%	0.757	S	S	*	*			trans	-99.9	163.9	-171.3	38.2	-35.7	0	0	0	116.7
579	V	28.7	Very low	33.7	Very low	143 Å²	143	137.4 Å²	137.4	87%	0.867	75%	0.745	S	S	*	*			trans	-137.2	149.6	174.8	-179.2	0	0	0	0	111.6
580	Q	29.3	Very low	34.4	Very low	175 Å²	175	138.2 Å²	138.2	82%	0.818	73%	0.733	S	S	*	*			trans	-97	152.2	-177.3	-57.6	165.7	-27.4	0	0	113.1
581	N	30.3	Very low	34.8	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	72%	0.723	S	S	*	*			trans	-159.6	120.5	148.8	-89.4	-39.7	0	0	0	107.4
582	K	29.5	Very low	34.4	Very low	195 Å²	195	137.6 Å²	137.6	85%	0.848	72%	0.721	S	S	*	*				80.4	124.1	63.3	-79.6	-169.4	170.5	-175.9	0	113.9
583	M	33.6	Very low	34.8	Very low	183 Å²	183	136.5 Å²	136.5	90%	0.901	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-75.2	155.7	173.7	-68.1	171	171.3	0	0	111.5
584	P	37	Very low	35.3	Very low	120 Å²	120	134.6 Å²	134.6	78%	0.779	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-66.2	162.8	168.8	30.2	-35.5	0	0	0	111.9
585	N	37.2	Very low	35.8	Very low	126 Å²	126	135.6 Å²	135.6	67%	0.674	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-97.5	155.6	-169	-165	20.1	0	0	0	112.8	Q587	N585-Q587 VanDerWaalsContact C-N 3.3Å; N585-Q587 PolarHBondContact O-N 3.49Å
586	K	40.1	Very low	35.9	Very low	163 Å²	163	135.3 Å²	135.3	71%	0.709	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-19.9	-167.2	-129.2	-171.7	179.4	-160.6	0	115.6
587	Q	40.4	Very low	36.2	Very low	105 Å²	105	135.9 Å²	135.9	49%	0.491	72%	0.718	S	S	.	*	H	α-helix	trans	-77.1	-33.8	-170.1	-146.1	60.9	57.1	0	0	114	N585 V589 E590 D591	N585-Q587 VanDerWaalsContact C-N 3.3Å; N585-Q587 PolarHBondContact O-N 3.49Å; Q587-V589 PolarHBondContact O-N 3.08Å; Q587-V589 VanDerWaalsContact O-N 3.12Å; Q587-E590 PolarHBondContact NE2-OE2 3.42Å; Q587-E590 PolarHBondContact O-N 2.91Å; Q587-D591 PolarHBondContact O-N 3.48Å
588	E	39.3	Very low	36.2	Very low	149 Å²	149	140.2 Å²	140.2	70%	0.696	73%	0.726	S	S	*	*	H	α-helix	trans	-70.1	-7.7	-179.7	-63.6	175.2	139.9	0	0	112.9
589	V	46.6	Very low	35.9	Very low	97 Å²	97	142.6 Å²	142.6	59%	0.588	73%	0.731	S	S	*	*	H	α-helix	trans	-95.9	-26.8	175.9	-171.1	0	0	0	0	111.8	Q587	Q587-V589 PolarHBondContact O-N 3.08Å; Q587-V589 VanDerWaalsContact O-N 3.12Å
590	E	38.3	Very low	36	Very low	107 Å²	107	143.6 Å²	143.6	50%	0.5	73%	0.732	S	S	.	*	H	α-helix	trans	-78.8	-40.7	178.9	-72.1	-179.6	158.2	0	0	111.7	Q587 A592 L593	Q587-E590 PolarHBondContact NE2-OE2 3.42Å; Q587-E590 PolarHBondContact O-N 2.91Å; E590-A592 VanDerWaalsContact C-N 3.3Å; E590-A592 PolarHBondContact O-N 3.06Å; E590-L593 PolarHBondContact O-N 3Å; E590-L593 VanDerWaalsContact O-N 3.1Å
591	D	38.3	Very low	36	Very low	111 Å²	111	144.7 Å²	144.7	59%	0.594	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-61.3	-38.7	178.3	-72.3	-20.3	0	0	0	111.9	Q587 L593 S594	Q587-D591 PolarHBondContact O-N 3.48Å; D591-L593 PolarHBondContact O-N 2.98Å; D591-S594 WeakPolarHBondContact O-CB 3.3Å; D591-S594 PolarHBondContact O-N 3.28Å; D591-S594 VanDerWaalsContact O-N 3.12Å; D591-S594 PolarHBondContact O-OG 3.46Å
592	A	40.9	Very low	35.8	Very low	73 Å²	73	149 Å²	149	60%	0.603	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-66.2	-16.7	177.8	0	0	0	0	0	114.4	E590	E590-A592 VanDerWaalsContact C-N 3.3Å; E590-A592 PolarHBondContact O-N 3.06Å
593	L	38.1	Very low	35.6	Very low	129 Å²	129	147 Å²	147	68%	0.675	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-92.6	-6.9	176.5	-69.3	169	0	0	0	112.9	E590 D591	E590-L593 PolarHBondContact O-N 3Å; E590-L593 VanDerWaalsContact O-N 3.1Å; D591-L593 PolarHBondContact O-N 2.98Å
594	S	40.2	Very low	35.2	Very low	87 Å²	87	144 Å²	144	61%	0.608	73%	0.733	S	S	*	*	S	Bend	trans	-79.6	-23.8	-178.4	71.8	0	0	0	0	114.2	D591 F596	D591-S594 WeakPolarHBondContact O-CB 3.3Å; D591-S594 PolarHBondContact O-N 3.28Å; D591-S594 VanDerWaalsContact O-N 3.12Å; D591-S594 PolarHBondContact O-OG 3.46Å; S594-F596 PolarHBondContact O-N 2.94Å
595	E	38.9	Very low	34.7	Very low	170 Å²	170	144 Å²	144	79%	0.794	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-7.6	-165.3	-153.2	168.7	-149.6	0	0	114.8
596	F	30.9	Very low	34.2	Very low	192 Å²	192	144.2 Å²	144.2	84%	0.842	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-0.9	-173.8	-100.2	-88.7	0	0	0	116.5	S594 F598	S594-F596 PolarHBondContact O-N 2.94Å; F596-F598 PolarHBondContact O-N 2.96Å; F596-F598 VanDerWaalsContact O-N 3.11Å
597	N	34.4	Very low	33.6	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	74%	0.743	S	S	*	*			trans	-87.9	60.6	-177.8	-90.7	-49.5	0	0	0	113.7
598	F	32.7	Very low	33	Very low	199 Å²	199	147.5 Å²	147.5	87%	0.873	76%	0.759	S	S	*	*			trans	-138.5	32.3	-178.2	-123.8	-76.9	0	0	0	116.8	F596	F596-F598 PolarHBondContact O-N 2.96Å; F596-F598 VanDerWaalsContact O-N 3.11Å
599	L	30.3	Very low	32.8	Very low	172 Å²	172	145.7 Å²	145.7	90%	0.901	76%	0.76	S	S	*	*			trans	-140.4	32.9	174.5	-144.3	104.9	0	0	0	116.3
600	N	30.4	Very low	31.8	Very low	165 Å²	165	148.6 Å²	148.6	88%	0.882	77%	0.772	S	S	*	*			trans	-128.2	59	175.7	-151.2	-5.8	0	0	0	113.8
601	K	28.3	Very low	31.5	Very low	198 Å²	198	148 Å²	148	86%	0.861	79%	0.785	S	S	*	*	S	Bend	trans	-159.4	135.9	161.4	-135.7	167.7	-173	170.9	0	110.4
602	R	25.8	Very low	31	Very low	240 Å²	240	151.1 Å²	151.1	91%	0.906	80%	0.802	S	S	*	*			trans	71.8	133.8	-152	-49.3	168.1	-176.1	-174.8	0.2	109.2
603	I	26.7	Very low	30.3	Very low	153 Å²	153	150.5 Å²	150.5	79%	0.785	80%	0.803	S	S	*	*			cis	-113.2	135.4	26	-57.9	173.5	0	0	0	112.5
604	S	24.5	Very low	29.8	Very low	119 Å²	119	151.1 Å²	151.1	83%	0.832	81%	0.812	S	S	*	*			trans	-157.1	100.1	151	-124.1	0	0	0	0	107.3
605	T	25.5	Very low	29.1	Very low	119 Å²	119	154.6 Å²	154.6	73%	0.73	82%	0.823	S	S	*	*			trans	-152.6	97.1	-171.7	47.5	0	0	0	0	111.3
606	V	27.2	Very low	28.5	Very low	132 Å²	132	154.5 Å²	154.5	80%	0.8	82%	0.822	S	S	*	*			trans	-141.8	107.4	163.4	-179.6	0	0	0	0	108.9
607	L	28.1	Very low	29.1	Very low	162 Å²	162	150 Å²	150	85%	0.848	81%	0.812	S	S	*	*			trans	56.4	118.3	155.4	-55.9	172.8	0	0	0	120.3
608	E	27.5	Very low	28.6	Very low	175 Å²	175	150.3 Å²	150.3	82%	0.818	81%	0.809	S	S	*	*			trans	-82.6	173	140.2	-59.4	-172.7	148.3	0	0	109.4
609	P	35.3	Very low	28.2	Very low	110 Å²	110	149.2 Å²	149.2	71%	0.714	80%	0.804	S	S	*	*				-140.7	148.6	87.3	38	-24.5	0	0	0	116.3
610	D	25.9	Very low	27.9	Very low	158 Å²	158	149.7 Å²	149.7	85%	0.845	80%	0.802	S	S	*	*			trans	63.6	148.2	149.1	-58.6	-35.9	0	0	0	120.9
611	A	30.9	Very low	28.1	Very low	94 Å²	94	150.6 Å²	150.6	78%	0.777	80%	0.8	S	S	*	*			trans	-134.1	130.7	-175.7	0	0	0	0	0	112.6
612	D	28.8	Very low	28.5	Very low	177 Å²	177	146.6 Å²	146.6	95%	0.947	80%	0.795	S	S	*	*			trans	-172.9	137.1	161.3	-100.9	-29.1	0	0	0	106.5
613	G	26.2	Very low	28.5	Very low	61 Å²	61	142.3 Å²	142.3	63%	0.629	79%	0.79	S	S	*	*			cis	169.7	164.6	-8.7	0	0	0	0	0	111.5
614	V	26.8	Very low	28.6	Very low	142 Å²	142	143.4 Å²	143.4	86%	0.861	80%	0.796	S	S	*	*			trans	71.8	147.6	161.3	-140.1	0	0	0	0	120
615	L	26.7	Very low	28.6	Very low	160 Å²	160	146.2 Å²	146.2	84%	0.838	80%	0.796	S	S	*	*			trans	89.8	88.2	159.3	-58	-177.7	0	0	0	121.8
616	E	26	Very low	28.7	Very low	167 Å²	167	148.1 Å²	148.1	78%	0.78	80%	0.801	S	S	*	*				-41.3	174.5	125.3	-82.4	-106.3	-178.3	0	0	114.7
617	P	43.1	Very low	28.6	Very low	98 Å²	98	148.4 Å²	148.4	64%	0.636	80%	0.803	S	S	*	*			cis	-142.4	-163	13.5	23.8	5.2	0	0	0	116.4
618	E	23.3	Very low	29	Very low	155 Å²	155	146.3 Å²	146.3	72%	0.724	80%	0.802	S	S	*	*			trans	81	145	151.5	-50.7	-148.4	138	0	0	119.6
619	F	24.7	Very low	29.1	Very low	177 Å²	177	145.3 Å²	145.3	78%	0.776	80%	0.801	S	S	*	*			cis	-166.9	163.9	-27.3	-120.1	-59.8	0	0	0	110.7
620	Q	24.5	Very low	28.9	Very low	182 Å²	182	148.8 Å²	148.8	85%	0.85	81%	0.807	S	S	*	*			trans	116.8	108.6	151.3	-59.4	-166.6	-1.7	0	0	118.4
621	H	33.5	Very low	29.1	Very low	184 Å²	184	150.9 Å²	150.9	85%	0.852	81%	0.809	S	S	*	*			trans	-90.7	161.2	152.2	-59.7	-80.5	0	0	0	109.2
622	P	38.7	Very low	29	Very low	114 Å²	114	153.3 Å²	153.3	74%	0.74	81%	0.809	S	S	*	*				-149.3	151.8	81.9	37.9	-19.3	0	0	0	117.6
623	N	25.9	Very low	29.2	Very low	150 Å²	150	150 Å²	150	80%	0.802	80%	0.8	S	S	*	*			trans	30.7	130.2	140.5	-53.1	-5.9	0	0	0	121.6
624	L	27.6	Very low	29.7	Very low	176 Å²	176	155.5 Å²	155.5	92%	0.921	81%	0.809	S	S	*	*				-159.5	159.3	106.4	-105.4	162.5	0	0	0	111.4
625	E	25.6	Very low	30.1	Very low	177 Å²	177	155.4 Å²	155.4	83%	0.827	80%	0.802	S	S	*	*			trans	-95.7	163.8	-168.4	-64.4	-179.3	105.9	0	0	114.6
626	L	26.2	Very low	30.6	Very low	159 Å²	159	158.5 Å²	158.5	83%	0.832	80%	0.803	S	S	*	*			trans	72.7	98.1	148.1	-135.8	77.7	0	0	0	119.2
627	T	26.1	Very low	31.1	Very low	138 Å²	138	158.4 Å²	158.4	85%	0.847	80%	0.803	S	S	*	*				-156.4	123.7	122.7	1.7	0	0	0	0	110.6	I629	T627-I629 PolarHBondContact O-N 2.68Å
628	S	35.3	Very low	30.9	Very low	119 Å²	119	162.7 Å²	162.7	83%	0.832	81%	0.814	S	S	*	*			trans	-94.1	93.7	-178.3	56.8	0	0	0	0	111.2
629	I	30.5	Very low	31.8	Very low	153 Å²	153	164.1 Å²	164.1	79%	0.785	82%	0.821	S	S	*	*			trans	-126.6	141.9	163.9	-61.8	-177.8	0	0	0	107.2	T627	T627-I629 PolarHBondContact O-N 2.68Å
630	Q	31.3	Very low	33.1	Very low	183 Å²	183	164.6 Å²	164.6	86%	0.855	83%	0.825	S	S	*	*			trans	-59.7	137.4	-177.9	-68.2	155	-69.6	0	0	110.2
631	K	29.6	Very low	34.9	Very low	203 Å²	203	161.9 Å²	161.9	88%	0.883	81%	0.811	S	S	*	*			trans	-115.1	113.3	169.7	-164	179	-173.1	-173.4	0	107.1	S633	K631-S633 PolarHBondContact O-N 3.33Å
632	D	29.9	Very low	36.8	Very low	145 Å²	145	158.2 Å²	158.2	78%	0.775	79%	0.794	S	S	*	*			trans	-58.8	128.8	177.8	-61.4	-66.1	0	0	0	109.5	E634	D632-E634 PolarHBondContact O-N 3.5Å; D632-E634 VanDerWaalsContact O-N 3.14Å
633	S	31.8	Very low	38.9	Very low	107 Å²	107	153 Å²	153	75%	0.748	76%	0.759	S	S	*	*			trans	-73.2	101	165.7	52.9	0	0	0	0	107	K631 I635	K631-S633 PolarHBondContact O-N 3.33Å; S633-I635 VanDerWaalsContact C-N 3.31Å; S633-I635 PolarHBondContact O-N 2.95Å
634	E	37	Very low	41.8	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.822	73%	0.733	S	S	*	*			trans	-54	95.9	171.6	-69.3	176.4	162.1	0	0	109.4	D632 R636	D632-E634 PolarHBondContact O-N 3.5Å; D632-E634 VanDerWaalsContact O-N 3.14Å; E634-R636 PolarHBondContact O-N 2.84Å; E634-R636 VanDerWaalsContact O-N 3.11Å
635	I	35.7	Very low	44.6	Very low	141 Å²	141	141.8 Å²	141.8	72%	0.723	70%	0.703	S	S	*	*			trans	-63.4	110	154.4	-60.8	176.2	0	0	0	103.6	S633 E637	S633-I635 VanDerWaalsContact C-N 3.31Å; S633-I635 PolarHBondContact O-N 2.95Å; I635-E637 HydrophobicContact CG2-CG 4.3Å; I635-E637 PolarHBondContact O-N 3.36Å
636	R	35.8	Very low	47.6	Very low	225 Å²	225	141 Å²	141	85%	0.849	70%	0.699	S	S	*	*			trans	-66.6	91.2	160.3	-77.2	-176	171.8	-168.5	-5.3	106.4	E634 E638	E634-R636 PolarHBondContact O-N 2.84Å; E634-R636 VanDerWaalsContact O-N 3.11Å; R636-E638 PolarHBondContact O-N 3.24Å
637	E	37.2	Very low	50.7	Low	165 Å²	165	136 Å²	136	77%	0.771	67%	0.673	S	S	*	*			trans	-55.2	118	156.3	-64.5	-175.9	159.5	0	0	105.6	I635 E639	I635-E637 HydrophobicContact CG2-CG 4.3Å; I635-E637 PolarHBondContact O-N 3.36Å; E637-E639 VanDerWaalsContact C-N 3.26Å; E637-E639 PolarHBondContact O-N 2.94Å
638	E	39.5	Very low	53.9	Low	187 Å²	187	129.6 Å²	129.6	87%	0.874	63%	0.634	S	S	*	*			trans	-67.3	96.5	168.1	-69.1	179.5	155.8	0	0	105.4	R636 Q640	R636-E638 PolarHBondContact O-N 3.24Å; E638-Q640 PolarHBondContact O-N 2.95Å
639	E	41.1	Very low	56.7	Low	186 Å²	186	128.7 Å²	128.7	87%	0.869	62%	0.615	S	S	*	*			trans	-54.2	103	175.6	-74.9	-169.2	145.3	0	0	107.5	E637 F641	E637-E639 VanDerWaalsContact C-N 3.26Å; E637-E639 PolarHBondContact O-N 2.94Å; E639-F641 PolarHBondContact O-N 2.8Å
640	Q	51.6	Low	59.8	Low	187 Å²	187	123.1 Å²	123.1	87%	0.874	59%	0.589	S	S	*	*			trans	-73.1	84.7	-170.1	-165.7	172.2	30.4	0	0	108.5	E638 H642	E638-Q640 PolarHBondContact O-N 2.95Å; Q640-H642 PolarHBondContact O-N 3.46Å
641	F	64.3	Low	62.7	Low	124 Å²	124	116.7 Å²	116.7	54%	0.544	56%	0.562	S	S	.	*			trans	-52.9	126.2	-171.9	-170.2	-92.4	0	0	0	109.4	E639 F643 I971	E639-F641 PolarHBondContact O-N 2.8Å; F641-F643 HydrophobicContact CD1-CD2 4.32Å; F641-F643 HydrophobicContact CD1-CE2 4.13Å; F641-F643 HydrophobicContact CD1-CZ 4.48Å; F641-F643 HydrophobicContact CE1-CD1 4.33Å; F641-F643 HydrophobicContact CE1-CD2 4.21Å; F641-F643 HydrophobicContact CE1-CE1 4.08Å; F641-F643 AromaticContact CE1-CE2 3.93Å; F641-F643 HydrophobicContact CE1-CE2 3.93Å; F641-F643 HydrophobicContact CE1-CG 4.39Å; F641-F643 AromaticContact CE1-CZ 3.86Å; F641-F643 HydrophobicContact CE1-CZ 3.86Å; F641-I971 HydrophobicContact CB-CD1 4.43Å; F641-I971 HydrophobicContact CD1-CD1 3.97Å; F641-I971 WeakPolarHBondContact O-CD1 3.49Å
642	H	73.4	Confident	65.8	Low	107 Å²	107	107.4 Å²	107.4	50%	0.495	52%	0.523	S	S	.	.			trans	-127.2	109.8	-170.3	-168.6	95.7	0	0	0	109.4	Q640 D969	Q640-H642 PolarHBondContact O-N 3.46Å; H642-D969 IonicContact CE1-OD2 3.23Å; H642-D969 PolarHBondContact CE1-OD2 3.46Å
643	F	82.8	Confident	68.8	Low	4 Å²	4	100.5 Å²	100.5	2%	0.018	49%	0.486	C	S	.	.			trans	-63	139.3	176.9	-81.8	-81.2	0	0	0	111.5	F641 F648 Y667 F715 A716 F718 I971 C975	F641-F643 HydrophobicContact CD1-CD2 4.32Å; F641-F643 HydrophobicContact CD1-CE2 4.13Å; F641-F643 HydrophobicContact CD1-CZ 4.48Å; F641-F643 HydrophobicContact CE1-CD1 4.33Å; F641-F643 HydrophobicContact CE1-CD2 4.21Å; F641-F643 HydrophobicContact CE1-CE1 4.08Å; F641-F643 AromaticContact CE1-CE2 3.93Å; F641-F643 HydrophobicContact CE1-CE2 3.93Å; F641-F643 HydrophobicContact CE1-CG 4.39Å; F641-F643 AromaticContact CE1-CZ 3.86Å; F641-F643 HydrophobicContact CE1-CZ 3.86Å; F643-F648 HydrophobicContact CB-CE2 4.44Å; F643-F648 AromaticContact CD1-CE2 3.62Å; F643-F648 HydrophobicContact CD1-CE2 3.62Å; F643-F648 AromaticContact CD1-CZ 3.69Å; F643-F648 HydrophobicContact CD1-CZ 3.69Å; F643-F648 HydrophobicContact CE1-CE2 4.28Å; F643-F648 AromaticContact CE1-CZ 3.9Å; F643-F648 HydrophobicContact CE1-CZ 3.9Å; F643-F648 HydrophobicContact CG-CE2 4.36Å; F643-Y667 HydrophobicContact CD1-CE2 4.37Å; F643-Y667 HydrophobicContact CE1-CD2 4.22Å; F643-Y667 HydrophobicContact CE1-CE1 4.2Å; F643-Y667 AromaticContact CE1-CE2 3.57Å; F643-Y667 HydrophobicContact CE1-CE2 3.57Å; F643-Y667 AromaticContact CE1-CZ 3.56Å; F643-Y667 HydrophobicContact CZ-CE1 4.41Å; F643-Y667 HydrophobicContact CZ-CE2 4.47Å; F643-F715 HydrophobicContact CE1-CE1 4.15Å; F643-F715 HydrophobicContact CE2-CE1 4.37Å; F643-F715 HydrophobicContact CZ-CD1 4.46Å; F643-F715 AromaticContact CZ-CE1 3.67Å; F643-F715 HydrophobicContact CZ-CE1 3.67Å; F643-F715 HydrophobicContact CZ-CZ 4.38Å; F643-A716 HydrophobicContact CD2-CB 3.71Å; F643-A716 HydrophobicContact CE2-CB 3.96Å; F643-A716 HydrophobicContact CG-CB 4.34Å; F643-F718 HydrophobicContact CB-CB 4.04Å; F643-F718 HydrophobicContact CB-CD1 3.95Å; F643-F718 HydrophobicContact CB-CG 4.21Å; F643-F718 WeakPolarHBondContact O-CB 3.45Å; F643-I971 HydrophobicContact CD2-CD1 3.6Å; F643-I971 HydrophobicContact CD2-CG1 3.8Å; F643-I971 HydrophobicContact CE2-CD1 3.68Å; F643-I971 HydrophobicContact CE2-CG1 3.92Å; F643-I971 HydrophobicContact CE2-CG2 4.28Å; F643-C975 WeakPolarHBondContact CZ-SG 3.43Å
644	S	86.5	Confident	71.5	Confident	36 Å²	36	96.1 Å²	96.1	25%	0.252	46%	0.455	S	S	.	.			trans	-124.5	165.1	169.3	82.4	0	0	0	0	110.6	Q646 D647 F648	S644-Q646 PolarHBondContact O-N 3.32Å; S644-Q646 VanDerWaalsContact O-N 3.08Å; S644-Q646 WeakPolarHBondContact OG-CB 3.38Å; S644-Q646 PolarHBondContact OG-N 2.96Å; S644-D647 WeakPolarHBondContact CA-OD2 3.35Å; S644-D647 VanDerWaalsContact CB-OD2 3.31Å; S644-D647 WeakPolarHBondContact CB-OD2 3.44Å; S644-D647 PolarHBondContact N-OD2 3.45Å; S644-D647 PolarHBondContact O-N 3.46Å; S644-D647 VanDerWaalsContact O-N 3.12Å; S644-D647 PolarHBondContact OG-OD2 2.85Å; S644-F648 WeakPolarHBondContact O-CD2 3.42Å
645	L	86.4	Confident	73.9	Confident	55 Å²	55	88.4 Å²	88.4	29%	0.288	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.5	170.3	-165.6	71.9	0	0	0	112.5	D647 F718 L948	L645-D647 VanDerWaalsContact C-N 3.3Å; L645-F718 HydrophobicContact CB-CE2 4.02Å; L645-F718 HydrophobicContact CB-CZ 4.22Å; L645-F718 HydrophobicContact CD1-CE2 4.42Å; L645-F718 HydrophobicContact CD1-CZ 4.02Å; L645-L948 HydrophobicContact CD1-CD1 4.21Å; L645-L948 HydrophobicContact CD1-CG 4.41Å; L645-L948 HydrophobicContact CD2-CD1 3.51Å; L645-L948 HydrophobicContact CD2-CG 3.93Å; L645-L948 HydrophobicContact CG-CD1 4.48Å
646	Q	88.5	Confident	76	Confident	160 Å²	160	86.9 Å²	86.9	75%	0.748	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-18.5	179	-54	-172	62.1	0	0	112.8	S644 F648 K668	S644-Q646 PolarHBondContact O-N 3.32Å; S644-Q646 VanDerWaalsContact O-N 3.08Å; S644-Q646 WeakPolarHBondContact OG-CB 3.38Å; S644-Q646 PolarHBondContact OG-N 2.96Å; Q646-F648 VanDerWaalsContact C-N 3.29Å; Q646-K668 PolarHBondContact O-NZ 2.92Å
647	D	91.1	Very high	77.5	Confident	54 Å²	54	78.6 Å²	78.6	29%	0.289	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.5	178.4	-54	-68.4	0	0	0	112	S644 L645 Y667 K668	S644-D647 WeakPolarHBondContact CA-OD2 3.35Å; S644-D647 VanDerWaalsContact CB-OD2 3.31Å; S644-D647 WeakPolarHBondContact CB-OD2 3.44Å; S644-D647 PolarHBondContact N-OD2 3.45Å; S644-D647 PolarHBondContact O-N 3.46Å; S644-D647 VanDerWaalsContact O-N 3.12Å; S644-D647 PolarHBondContact OG-OD2 2.85Å; L645-D647 VanDerWaalsContact C-N 3.3Å; D647-Y667 HydrophobicContact CB-CE2 4.21Å; D647-K668 VanDerWaalsContact O-CB 3.31Å; D647-K668 WeakPolarHBondContact O-CB 3.31Å; D647-K668 VanDerWaalsContact O-CG 3.26Å; D647-K668 WeakPolarHBondContact O-CG 3.4Å; D647-K668 PolarHBondContact O-N 3.07Å
648	F	93.6	Very high	78.6	Confident	5 Å²	5	75.3 Å²	75.3	2%	0.022	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	155.9	175.9	-62.4	-81	0	0	0	112.1	F643 S644 Q646 E666 Y667 K668 F674 I676 F718 V727	F643-F648 HydrophobicContact CB-CE2 4.44Å; F643-F648 AromaticContact CD1-CE2 3.62Å; F643-F648 HydrophobicContact CD1-CE2 3.62Å; F643-F648 AromaticContact CD1-CZ 3.69Å; F643-F648 HydrophobicContact CD1-CZ 3.69Å; F643-F648 HydrophobicContact CE1-CE2 4.28Å; F643-F648 AromaticContact CE1-CZ 3.9Å; F643-F648 HydrophobicContact CE1-CZ 3.9Å; F643-F648 HydrophobicContact CG-CE2 4.36Å; S644-F648 WeakPolarHBondContact O-CD2 3.42Å; Q646-F648 VanDerWaalsContact C-N 3.29Å; F648-E666 CarbonylContact C-O 3.24Å; F648-E666 WeakPolarHBondContact CA-O 3.36Å; F648-Y667 HydrophobicContact CD1-CD2 4.35Å; F648-Y667 HydrophobicContact CE1-CD2 4.04Å; F648-Y667 HydrophobicContact CE1-CG 4.1Å; F648-Y667 HydrophobicContact CZ-CD2 4.37Å; F648-K668 WeakPolarHBondContact O-CE 3.25Å; F648-K668 PolarHBondContact O-NZ 3.22Å; F648-K668 VanDerWaalsContact O-NZ 3.1Å; F648-F674 HydrophobicContact CE1-CD2 4.25Å; F648-I676 HydrophobicContact CB-CD1 4.05Å; F648-I676 HydrophobicContact CD1-CD1 3.94Å; F648-I676 HydrophobicContact CD2-CD1 3.96Å; F648-I676 HydrophobicContact CE1-CD1 4.42Å; F648-I676 HydrophobicContact CE2-CD1 4.44Å; F648-I676 HydrophobicContact CG-CD1 3.69Å; F648-F718 AromaticContact CD2-CE1 3.97Å; F648-F718 HydrophobicContact CD2-CE1 3.97Å; F648-F718 HydrophobicContact CD2-CZ 4.35Å; F648-F718 HydrophobicContact CE2-CD1 4.28Å; F648-F718 AromaticContact CE2-CE1 3.7Å; F648-F718 HydrophobicContact CE2-CE1 3.7Å; F648-F718 HydrophobicContact CE2-CZ 4.49Å; F648-V727 HydrophobicContact CE1-CG1 3.9Å; F648-V727 HydrophobicContact CE2-CG2 4.11Å; F648-V727 HydrophobicContact CZ-CB 4.5Å; F648-V727 HydrophobicContact CZ-CG1 3.84Å; F648-V727 HydrophobicContact CZ-CG2 3.91Å
649	K	94.1	Very high	79.6	Confident	99 Å²	99	70.3 Å²	70.3	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	99.8	173.8	168.1	-169.7	165.9	-150.7	0	107.1	V651 S665 E666 K668	K649-V651 WeakPolarHBondContact O-CG2 3.4Å; K649-V651 PolarHBondContact O-N 2.96Å; K649-S665 WeakPolarHBondContact O-CA 3.33Å; K649-E666 HydrophobicContact CB-CB 4.22Å; K649-E666 HydrophobicContact CD-CB 4.34Å; K649-E666 HydrophobicContact CD-CG 4.47Å; K649-E666 WeakPolarHBondContact CD-OE1 3.46Å; K649-E666 PolarHBondContact N-O 3.33Å; K649-E666 IonicContact NZ-OE1 2.84Å; K649-E666 PolarHBondContact NZ-OE1 2.91Å; K649-E666 IonicContact NZ-OE2 3.18Å; K649-E666 PolarHBondContact NZ-OE2 3.03Å; K649-E666 PolarHBondContact O-N 3.27Å; K649-K668 HydrophobicContact CB-CG 4.29Å
650	C	94.3	Very high	81.5	Confident	36 Å²	36	62.6 Å²	62.6	24%	0.243	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.9	178.7	-49.4	0	0	0	0	110.1	L663 P946	C650-L663 HydrophobicContact CB-CD1 4.35Å; C650-P946 HydrophobicContact CB-CB 4.02Å; C650-P946 WeakPolarHBondContact CB-O 3.48Å
651	V	93.1	Very high	83.3	Confident	48 Å²	48	54.3 Å²	54.3	29%	0.291	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-48.1	-173.3	-179.6	0	0	0	0	111.5	K649 L664 E666 M673 N932	K649-V651 WeakPolarHBondContact O-CG2 3.4Å; K649-V651 PolarHBondContact O-N 2.96Å; V651-L664 HydrophobicContact CB-CD2 4.43Å; V651-L664 HydrophobicContact CB-CG 4.31Å; V651-L664 HydrophobicContact CG1-CD2 4.44Å; V651-L664 PolarHBondContact N-O 2.85Å; V651-E666 HydrophobicContact CG2-CB 4.18Å; V651-M673 HydrophobicContact CG2-CE 4.06Å; V651-N932 HydrophobicContact CG1-CB 4.28Å
652	A	93.5	Very high	84.6	Confident	8 Å²	8	50.2 Å²	50.2	7%	0.066	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	168.1	-176.4	0	0	0	0	0	111.2	L663 L664 V934	A652-L663 WeakPolarHBondContact O-CA 3.32Å; A652-L664 HydrophobicContact CB-CB 4.15Å; A652-L664 HydrophobicContact CB-CD2 4.44Å; A652-L664 PolarHBondContact N-O 3.09Å; A652-L664 PolarHBondContact O-N 2.99Å; A652-V934 HydrophobicContact CB-CG1 3.94Å
653	V	93.4	Very high	85.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.8	167.6	-175	0	0	0	0	107.7	K661 L663 F941 T942 E944 A945	V653-K661 HydrophobicContact CB-CD 4.46Å; V653-K661 HydrophobicContact CG1-CD 3.66Å; V653-K661 HydrophobicContact CG1-CG 3.64Å; V653-K661 HydrophobicContact CG2-CD 3.98Å; V653-L663 HydrophobicContact CB-CD2 4.42Å; V653-L663 HydrophobicContact CG2-CD2 3.83Å; V653-F941 WeakPolarHBondContact CB-O 3.5Å; V653-F941 HydrophobicContact CG1-CB 4.3Å; V653-F941 CarbonylContact O-C 3.46Å; V653-F941 VanDerWaalsContact O-C 3.31Å; V653-T942 WeakPolarHBondContact O-CA 3.3Å; V653-T942 PolarHBondContact O-N 3.38Å; V653-E944 HydrophobicContact CB-CB 4.29Å; V653-E944 HydrophobicContact CG2-CB 3.85Å; V653-E944 WeakPolarHBondContact CG2-O 2.97Å; V653-A945 WeakPolarHBondContact CG2-O 3.41Å
654	L	89.5	Confident	86.3	Confident	15 Å²	15	44.9 Å²	44.9	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-30	-178.6	-62.7	172.1	0	0	0	112.1	V662 L664 A675 Y730 V934 F937	L654-V662 HydrophobicContact CB-CB 4.42Å; L654-V662 HydrophobicContact CB-CG1 4.14Å; L654-V662 HydrophobicContact CD1-CG1 4.16Å; L654-V662 PolarHBondContact N-O 3.45Å; L654-L664 HydrophobicContact CD1-CB 3.92Å; L654-L664 HydrophobicContact CD1-CD1 4.4Å; L654-L664 HydrophobicContact CD2-CB 3.91Å; L654-L664 HydrophobicContact CD2-CD2 4.47Å; L654-L664 HydrophobicContact CG-CB 3.81Å; L654-A675 HydrophobicContact CD1-CB 4.08Å; L654-Y730 HydrophobicContact CD1-CD2 3.95Å; L654-Y730 HydrophobicContact CD1-CE2 3.75Å; L654-Y730 HydrophobicContact CD2-CE2 3.92Å; L654-Y730 HydrophobicContact CG-CE2 4.49Å; L654-V934 HydrophobicContact CD2-CG1 3.88Å; L654-F937 HydrophobicContact CB-CD1 4.08Å; L654-F937 HydrophobicContact CB-CE1 4.14Å; L654-F937 HydrophobicContact CD2-CD1 3.94Å; L654-F937 HydrophobicContact CD2-CD2 3.97Å; L654-F937 HydrophobicContact CD2-CE1 3.94Å; L654-F937 HydrophobicContact CD2-CE2 3.97Å; L654-F937 HydrophobicContact CD2-CG 3.97Å; L654-F937 HydrophobicContact CD2-CZ 3.96Å; L654-F937 HydrophobicContact CG-CE1 4.43Å
655	G	86.3	Confident	86.7	Confident	15 Å²	15	43.2 Å²	43.2	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	160.7	-174.2	0	0	0	0	0	113.9	V662	G655-V662 PolarHBondContact N-O 2.84Å; G655-V662 PolarHBondContact O-N 3.2Å
656	R	80.3	Confident	87.2	Confident	109 Å²	109	42.4 Å²	42.4	41%	0.411	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	121.4	-178.8	-171.2	175.6	-175.5	156.3	5.9	110.7	R486 F941 E944	R486-R656 PolarHBondContact NH2-O 2.8Å; R656-F941 HydrophobicContact CB-CD1 4.15Å; R656-F941 HydrophobicContact CB-CE1 4.39Å; R656-E944 IonicContact CZ-OE1 3.42Å; R656-E944 IonicContact NH1-OE1 3.84Å; R656-E944 PolarHBondContact NH1-OE1 3.25Å; R656-E944 IonicContact NH1-OE2 3.47Å
657	G	67	Low	87.4	Confident	51 Å²	51	35.8 Å²	35.8	53%	0.526	20%	0.196	S	C	.	.			trans	-108.8	-171.2	179.3	0	0	0	0	0	113.2	G660	G657-G660 PolarHBondContact N-O 2.91Å
658	H	60.2	Low	87.5	Confident	96 Å²	96	39 Å²	39	44%	0.444	21%	0.207	S	C	.	.	S	Bend	trans	-74.9	-33.9	174.4	170.5	-116.3	0	0	0	112.9	R687	H658-R687 PolarHBondContact CE1-NH1 3.43Å; H658-R687 PolarHBondContact CE1-NH2 2.83Å; H658-R687 PolarHBondContact NE2-NH2 2.56Å
659	F	61.8	Low	87.3	Confident	81 Å²	81	42.8 Å²	42.8	36%	0.355	23%	0.234	S	C	.	.	S	Bend	trans	-103.1	-13.6	-172.3	-51.2	-85.5	0	0	0	114.1	L679 E689	F659-L679 HydrophobicContact CB-CD2 4.06Å; F659-L679 WeakPolarHBondContact O-CA 3.29Å; F659-E689 WeakPolarHBondContact CD1-OE2 3.47Å; F659-E689 VanDerWaalsContact CE1-OE2 3.28Å; F659-E689 WeakPolarHBondContact CE1-OE2 3.28Å
660	G	79.4	Confident	87.2	Confident	24 Å²	24	42 Å²	42	25%	0.247	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-174.7	-171.3	0	0	0	0	0	115.3	G657 A678	G657-G660 PolarHBondContact N-O 2.91Å; G660-A678 CarbonylContact C-O 3.51Å; G660-A678 WeakPolarHBondContact CA-O 3.45Å
661	K	89.6	Confident	87	Confident	13 Å²	13	42.4 Å²	42.4	6%	0.057	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.4	174.6	175.4	-179.7	-86.9	-156.5	0	108.6	V653 L663 A678 E944 A945	V653-K661 HydrophobicContact CB-CD 4.46Å; V653-K661 HydrophobicContact CG1-CD 3.66Å; V653-K661 HydrophobicContact CG1-CG 3.64Å; V653-K661 HydrophobicContact CG2-CD 3.98Å; K661-L663 HydrophobicContact CD-CD2 3.72Å; K661-L663 HydrophobicContact CD-CG 4.36Å; K661-L663 HydrophobicContact CG-CD2 4.18Å; K661-L663 HydrophobicContact CG-CG 4.44Å; K661-A678 PolarHBondContact N-O 3.02Å; K661-A678 PolarHBondContact O-N 3.43Å; K661-E944 VanDerWaalsContact CE-OE2 3.26Å; K661-E944 WeakPolarHBondContact CE-OE2 3.27Å; K661-E944 IonicContact NZ-OE2 3.45Å; K661-E944 PolarHBondContact NZ-OE2 2.77Å; K661-A945 PolarHBondContact NZ-O 3.02Å
662	V	92.5	Very high	87	Confident	38 Å²	38	45.2 Å²	45.2	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.8	171.7	-173.7	0	0	0	0	108.9	L654 G655 A675 I676 K677	L654-V662 HydrophobicContact CB-CB 4.42Å; L654-V662 HydrophobicContact CB-CG1 4.14Å; L654-V662 HydrophobicContact CD1-CG1 4.16Å; L654-V662 PolarHBondContact N-O 3.45Å; G655-V662 PolarHBondContact N-O 2.84Å; G655-V662 PolarHBondContact O-N 3.2Å; V662-A675 HydrophobicContact CG1-CB 4.2Å; V662-I676 WeakPolarHBondContact CA-O 3.43Å; V662-K677 HydrophobicContact CG2-CB 4.38Å; V662-K677 HydrophobicContact CG2-CG 4.48Å
663	L	94.6	Very high	87	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.8	178.5	-66.3	177	0	0	0	110.4	C650 A652 V653 K661 A675 I676 P946 L948	C650-L663 HydrophobicContact CB-CD1 4.35Å; A652-L663 WeakPolarHBondContact O-CA 3.32Å; V653-L663 HydrophobicContact CB-CD2 4.42Å; V653-L663 HydrophobicContact CG2-CD2 3.83Å; K661-L663 HydrophobicContact CD-CD2 3.72Å; K661-L663 HydrophobicContact CD-CG 4.36Å; K661-L663 HydrophobicContact CG-CD2 4.18Å; K661-L663 HydrophobicContact CG-CG 4.44Å; L663-A675 CarbonylContact O-C 3.59Å; L663-A675 WeakPolarHBondContact O-CA 3.31Å; L663-I676 PolarHBondContact N-O 3.28Å; L663-I676 PolarHBondContact O-N 2.82Å; L663-P946 HydrophobicContact CD2-CB 4.35Å; L663-L948 HydrophobicContact CD1-CD2 3.89Å
664	L	96.1	Very high	87.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.3	161.3	-179.8	58.6	0	0	0	108.1	V651 A652 L654 M673 Y730 V934	V651-L664 HydrophobicContact CB-CD2 4.43Å; V651-L664 HydrophobicContact CB-CG 4.31Å; V651-L664 HydrophobicContact CG1-CD2 4.44Å; V651-L664 PolarHBondContact N-O 2.85Å; A652-L664 HydrophobicContact CB-CB 4.15Å; A652-L664 HydrophobicContact CB-CD2 4.44Å; A652-L664 PolarHBondContact N-O 3.09Å; A652-L664 PolarHBondContact O-N 2.99Å; L654-L664 HydrophobicContact CD1-CB 3.92Å; L654-L664 HydrophobicContact CD1-CD1 4.4Å; L654-L664 HydrophobicContact CD2-CB 3.91Å; L654-L664 HydrophobicContact CD2-CD2 4.47Å; L654-L664 HydrophobicContact CG-CB 3.81Å; L664-M673 HydrophobicContact CD1-CB 4.39Å; L664-M673 HydrophobicContact CD1-CE 3.51Å; L664-M673 HydrophobicContact CD2-CE 3.81Å; L664-M673 HydrophobicContact CG-CE 3.48Å; L664-M673 VanDerWaalsContact CG-CE 3.48Å; L664-Y730 HydrophobicContact CD1-CD1 3.53Å; L664-Y730 HydrophobicContact CD1-CD2 3.74Å; L664-Y730 HydrophobicContact CD1-CE1 3.55Å; L664-Y730 HydrophobicContact CD1-CE2 3.78Å; L664-Y730 HydrophobicContact CD1-CG 3.63Å; L664-Y730 HydrophobicContact CD2-CE1 4.13Å; L664-V934 HydrophobicContact CD2-CG1 3.52Å
665	S	95.9	Very high	87.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.8	-174.4	-71.2	0	0	0	0	112.2	K649 F674 I676	K649-S665 WeakPolarHBondContact O-CA 3.33Å; S665-F674 PolarHBondContact N-O 2.96Å; S665-F674 PolarHBondContact O-N 2.86Å; S665-I676 WeakPolarHBondContact OG-CD1 3.44Å
666	E	95.6	Very high	87.9	Confident	38 Å²	38	45.1 Å²	45.1	18%	0.178	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.5	173.4	-177.7	-176.8	124.1	0	0	108.9	F648 K649 V651 E672 M673 N932	F648-E666 CarbonylContact C-O 3.24Å; F648-E666 WeakPolarHBondContact CA-O 3.36Å; K649-E666 HydrophobicContact CB-CB 4.22Å; K649-E666 HydrophobicContact CD-CB 4.34Å; K649-E666 HydrophobicContact CD-CG 4.47Å; K649-E666 WeakPolarHBondContact CD-OE1 3.46Å; K649-E666 PolarHBondContact N-O 3.33Å; K649-E666 IonicContact NZ-OE1 2.84Å; K649-E666 PolarHBondContact NZ-OE1 2.91Å; K649-E666 IonicContact NZ-OE2 3.18Å; K649-E666 PolarHBondContact NZ-OE2 3.03Å; K649-E666 PolarHBondContact O-N 3.27Å; V651-E666 HydrophobicContact CG2-CB 4.18Å; E666-E672 WeakPolarHBondContact CA-O 3.44Å; E666-M673 HydrophobicContact CB-CE 4.37Å; E666-M673 HydrophobicContact CB-SD 3.64Å; E666-M673 HydrophobicContact CG-SD 3.96Å; E666-N932 PolarHBondContact OE2-ND2 3.02Å
667	Y	94.4	Very high	88.6	Confident	22 Å²	22	40.9 Å²	40.9	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.9	175	179.4	-148.1	0	0	0	109.7	F643 D647 F648 S669 T670 G671 E672 F674 F715	F643-Y667 HydrophobicContact CD1-CE2 4.37Å; F643-Y667 HydrophobicContact CE1-CD2 4.22Å; F643-Y667 HydrophobicContact CE1-CE1 4.2Å; F643-Y667 AromaticContact CE1-CE2 3.57Å; F643-Y667 HydrophobicContact CE1-CE2 3.57Å; F643-Y667 AromaticContact CE1-CZ 3.56Å; F643-Y667 HydrophobicContact CZ-CE1 4.41Å; F643-Y667 HydrophobicContact CZ-CE2 4.47Å; D647-Y667 HydrophobicContact CB-CE2 4.21Å; F648-Y667 HydrophobicContact CD1-CD2 4.35Å; F648-Y667 HydrophobicContact CE1-CD2 4.04Å; F648-Y667 HydrophobicContact CE1-CG 4.1Å; F648-Y667 HydrophobicContact CZ-CD2 4.37Å; Y667-S669 VanDerWaalsContact C-N 3.33Å; Y667-S669 WeakPolarHBondContact CE1-OG 3.47Å; Y667-S669 WeakPolarHBondContact CE2-OG 3.49Å; Y667-S669 PolarHBondContact O-N 3.18Å; Y667-S669 PolarHBondContact OH-OG 3.32Å; Y667-T670 HydrophobicContact CD1-CG2 4.03Å; Y667-T670 WeakPolarHBondContact CD1-OG1 3.17Å; Y667-T670 HydrophobicContact CE1-CG2 4.07Å; Y667-T670 PolarHBondContact O-N 3.05Å; Y667-G671 WeakPolarHBondContact O-CA 3.4Å; Y667-G671 PolarHBondContact O-N 3.3Å; Y667-E672 PolarHBondContact N-O 3.29Å; Y667-F674 HydrophobicContact CD1-CE2 4.27Å; Y667-F674 HydrophobicContact CG-CE2 4.42Å; Y667-F715 HydrophobicContact CD1-CE1 4.37Å; Y667-F715 HydrophobicContact CD1-CZ 4.36Å; Y667-F715 HydrophobicContact CE1-CE1 4.39Å; Y667-F715 HydrophobicContact CE1-CZ 4.29Å
668	K	92.6	Very high	89.8	Confident	122 Å²	122	38.6 Å²	38.6	53%	0.53	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.2	-162.5	-72.1	171.7	-179.9	164.1	0	115.8	Q646 D647 F648 K649	Q646-K668 PolarHBondContact O-NZ 2.92Å; D647-K668 VanDerWaalsContact O-CB 3.31Å; D647-K668 WeakPolarHBondContact O-CB 3.31Å; D647-K668 VanDerWaalsContact O-CG 3.26Å; D647-K668 WeakPolarHBondContact O-CG 3.4Å; D647-K668 PolarHBondContact O-N 3.07Å; F648-K668 WeakPolarHBondContact O-CE 3.25Å; F648-K668 PolarHBondContact O-NZ 3.22Å; F648-K668 VanDerWaalsContact O-NZ 3.1Å; K649-K668 HydrophobicContact CB-CG 4.29Å
669	S	89.4	Confident	91.3	Very high	83 Å²	83	34.6 Å²	34.6	58%	0.58	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-35.8	-179.7	56.9	0	0	0	0	112.9	Y667	Y667-S669 VanDerWaalsContact C-N 3.33Å; Y667-S669 WeakPolarHBondContact CE1-OG 3.47Å; Y667-S669 WeakPolarHBondContact CE2-OG 3.49Å; Y667-S669 PolarHBondContact O-N 3.18Å; Y667-S669 PolarHBondContact OH-OG 3.32Å
670	T	90.9	Very high	92.7	Very high	84 Å²	84	32.1 Å²	32.1	52%	0.515	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-26.1	-178.2	62.7	0	0	0	0	113.6	Y667 E672	Y667-T670 HydrophobicContact CD1-CG2 4.03Å; Y667-T670 WeakPolarHBondContact CD1-OG1 3.17Å; Y667-T670 HydrophobicContact CE1-CG2 4.07Å; Y667-T670 PolarHBondContact O-N 3.05Å; T670-E672 VanDerWaalsContact C-N 3.25Å; T670-E672 VanDerWaalsContact OG1-CB 3.28Å; T670-E672 WeakPolarHBondContact OG1-CB 3.45Å; T670-E672 PolarHBondContact OG1-N 3.33Å; T670-E672 VanDerWaalsContact OG1-N 3.13Å
671	G	90.4	Very high	93.3	Very high	43 Å²	43	31.1 Å²	31.1	44%	0.443	17%	0.173	S	C	.	.			trans	76.5	9	-167.9	0	0	0	0	0	113.9	Y667	Y667-G671 WeakPolarHBondContact O-CA 3.4Å; Y667-G671 PolarHBondContact O-N 3.3Å
672	E	93.1	Very high	93.2	Very high	108 Å²	108	31.3 Å²	31.3	51%	0.505	18%	0.179	S	C	.	.			trans	-77.6	151.3	-180	-171.7	169.8	-162	0	0	112.2	E666 Y667 T670 F674	E666-E672 WeakPolarHBondContact CA-O 3.44Å; Y667-E672 PolarHBondContact N-O 3.29Å; T670-E672 VanDerWaalsContact C-N 3.25Å; T670-E672 VanDerWaalsContact OG1-CB 3.28Å; T670-E672 WeakPolarHBondContact OG1-CB 3.45Å; T670-E672 PolarHBondContact OG1-N 3.33Å; T670-E672 VanDerWaalsContact OG1-N 3.13Å; E672-F674 HydrophobicContact CB-CE2 3.81Å; E672-F674 HydrophobicContact CB-CZ 4.2Å; E672-F674 HydrophobicContact CG-CE2 3.82Å; E672-F674 HydrophobicContact CG-CZ 3.82Å
673	M	94.8	Very high	93	Very high	20 Å²	20	32.8 Å²	32.8	10%	0.099	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.9	-171.1	-61.2	-60.9	-61.5	0	0	111.4	V651 L664 E666 Y730 A931 N932	V651-M673 HydrophobicContact CG2-CE 4.06Å; L664-M673 HydrophobicContact CD1-CB 4.39Å; L664-M673 HydrophobicContact CD1-CE 3.51Å; L664-M673 HydrophobicContact CD2-CE 3.81Å; L664-M673 HydrophobicContact CG-CE 3.48Å; L664-M673 VanDerWaalsContact CG-CE 3.48Å; E666-M673 HydrophobicContact CB-CE 4.37Å; E666-M673 HydrophobicContact CB-SD 3.64Å; E666-M673 HydrophobicContact CG-SD 3.96Å; M673-Y730 HydrophobicContact CB-CD1 3.95Å; M673-Y730 VanDerWaalsContact O-CB 3.24Å; M673-Y730 WeakPolarHBondContact O-CB 3.31Å; M673-A931 HydrophobicContact CG-CB 3.96Å; M673-N932 HydrophobicContact CE-CB 4.48Å
674	F	95.8	Very high	92.7	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154.3	-177.6	-63.7	-83.5	0	0	0	111.8	F648 S665 Y667 E672 F715 V727 M728	F648-F674 HydrophobicContact CE1-CD2 4.25Å; S665-F674 PolarHBondContact N-O 2.96Å; S665-F674 PolarHBondContact O-N 2.86Å; Y667-F674 HydrophobicContact CD1-CE2 4.27Å; Y667-F674 HydrophobicContact CG-CE2 4.42Å; E672-F674 HydrophobicContact CB-CE2 3.81Å; E672-F674 HydrophobicContact CB-CZ 4.2Å; E672-F674 HydrophobicContact CG-CE2 3.82Å; E672-F674 HydrophobicContact CG-CZ 3.82Å; F674-F715 HydrophobicContact CD1-CB 4.01Å; F674-F715 HydrophobicContact CD1-CD1 4.34Å; F674-F715 HydrophobicContact CD1-CG 4.09Å; F674-F715 HydrophobicContact CE1-CB 3.75Å; F674-F715 AromaticContact CE1-CD1 3.87Å; F674-F715 HydrophobicContact CE1-CD1 3.87Å; F674-F715 AromaticContact CE1-CD2 3.55Å; F674-F715 HydrophobicContact CE1-CD2 3.55Å; F674-F715 HydrophobicContact CE1-CE1 4.31Å; F674-F715 HydrophobicContact CE1-CE2 4.04Å; F674-F715 AromaticContact CE1-CG 3.45Å; F674-F715 HydrophobicContact CE1-CG 3.45Å; F674-F715 VanDerWaalsContact CE1-CG 3.45Å; F674-F715 HydrophobicContact CE1-CZ 4.38Å; F674-F715 HydrophobicContact CE2-CD1 4.48Å; F674-F715 HydrophobicContact CE2-CE1 4.29Å; F674-F715 HydrophobicContact CE2-CZ 4.42Å; F674-F715 AromaticContact CZ-CD1 3.94Å; F674-F715 HydrophobicContact CZ-CD1 3.94Å; F674-F715 AromaticContact CZ-CD2 3.76Å; F674-F715 HydrophobicContact CZ-CD2 3.76Å; F674-F715 AromaticContact CZ-CE1 3.91Å; F674-F715 HydrophobicContact CZ-CE1 3.91Å; F674-F715 AromaticContact CZ-CE2 3.73Å; F674-F715 HydrophobicContact CZ-CE2 3.73Å; F674-F715 AromaticContact CZ-CG 3.86Å; F674-F715 HydrophobicContact CZ-CG 3.86Å; F674-F715 AromaticContact CZ-CZ 3.8Å; F674-F715 HydrophobicContact CZ-CZ 3.8Å; F674-V727 HydrophobicContact CB-CG1 3.67Å; F674-V727 HydrophobicContact CD1-CG1 4.01Å; F674-V727 HydrophobicContact CG-CG1 3.82Å; F674-M728 CarbonylContact C-O 3.46Å; F674-M728 WeakPolarHBondContact CA-O 3.45Å; F674-M728 WeakPolarHBondContact CB-O 3.36Å
675	A	96	Very high	92.4	Very high	9 Å²	9	34.3 Å²	34.3	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109.5	171.6	0	0	0	0	0	109.8	L654 V662 L663 M728	L654-A675 HydrophobicContact CD1-CB 4.08Å; V662-A675 HydrophobicContact CG1-CB 4.2Å; L663-A675 CarbonylContact O-C 3.59Å; L663-A675 WeakPolarHBondContact O-CA 3.31Å; A675-M728 HydrophobicContact CB-CE 4.11Å; A675-M728 PolarHBondContact N-O 2.9Å; A675-M728 WeakPolarHBondContact O-CB 3.24Å; A675-M728 WeakPolarHBondContact O-CE 3.41Å; A675-M728 PolarHBondContact O-N 2.7Å
676	I	95.7	Very high	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.2	179	-54.2	-174	0	0	0	109.9	F648 V662 L663 S665 A678 F718 C725 F726 V727	F648-I676 HydrophobicContact CB-CD1 4.05Å; F648-I676 HydrophobicContact CD1-CD1 3.94Å; F648-I676 HydrophobicContact CD2-CD1 3.96Å; F648-I676 HydrophobicContact CE1-CD1 4.42Å; F648-I676 HydrophobicContact CE2-CD1 4.44Å; F648-I676 HydrophobicContact CG-CD1 3.69Å; V662-I676 WeakPolarHBondContact CA-O 3.43Å; L663-I676 PolarHBondContact N-O 3.28Å; L663-I676 PolarHBondContact O-N 2.82Å; S665-I676 WeakPolarHBondContact OG-CD1 3.44Å; I676-A678 PolarHBondContact O-N 2.85Å; I676-F718 HydrophobicContact CD1-CE1 4.5Å; I676-C725 HydrophobicContact CG2-CB 3.85Å; I676-F726 CarbonylContact C-O 3.6Å; I676-F726 VanDerWaalsContact CA-O 3.29Å; I676-F726 WeakPolarHBondContact CA-O 3.18Å; I676-V727 HydrophobicContact CD1-CG2 4.3Å; I676-V727 HydrophobicContact CG1-CG1 4.32Å; I676-V727 HydrophobicContact CG1-CG2 4.21Å
677	K	94.4	Very high	91.5	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.083	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	103.2	169.8	179	-173.2	175.1	-174	0	108.2	V662 L679 E696 F726 M728 D791	V662-K677 HydrophobicContact CG2-CB 4.38Å; V662-K677 HydrophobicContact CG2-CG 4.48Å; K677-L679 HydrophobicContact CD-CD1 4.28Å; K677-L679 HydrophobicContact CG-CD1 3.93Å; K677-E696 IonicContact NZ-OE1 2.68Å; K677-E696 PolarHBondContact NZ-OE1 2.94Å; K677-E696 IonicContact NZ-OE2 2.64Å; K677-E696 PolarHBondContact NZ-OE2 3.19Å; K677-F726 HydrophobicContact CB-CB 4.36Å; K677-F726 HydrophobicContact CD-CD2 4.31Å; K677-F726 PolarHBondContact N-O 3.42Å; K677-F726 PolarHBondContact O-N 3.43Å; K677-M728 HydrophobicContact CB-CE 3.69Å; K677-M728 HydrophobicContact CB-SD 4.28Å; K677-D791 IonicContact NZ-OD1 3.53Å; K677-D791 PolarHBondContact NZ-OD1 3.42Å; K677-D791 IonicContact NZ-OD2 2.7Å
678	A	93.4	Very high	91.2	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.7	-179.4	0	0	0	0	0	111.5	G660 K661 I676 V724 L948	G660-A678 CarbonylContact C-O 3.51Å; G660-A678 WeakPolarHBondContact CA-O 3.45Å; K661-A678 PolarHBondContact N-O 3.02Å; K661-A678 PolarHBondContact O-N 3.43Å; I676-A678 PolarHBondContact O-N 2.85Å; A678-V724 WeakPolarHBondContact CA-O 3.5Å; A678-L948 HydrophobicContact CB-CD2 3.34Å
679	L	91.7	Very high	91.1	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	160.4	177.3	-50.7	84.9	0	0	0	110.1	F659 K677 I684 L693 H723 V724 F726	F659-L679 HydrophobicContact CB-CD2 4.06Å; F659-L679 WeakPolarHBondContact O-CA 3.29Å; K677-L679 HydrophobicContact CD-CD1 4.28Å; K677-L679 HydrophobicContact CG-CD1 3.93Å; L679-I684 HydrophobicContact CB-CD1 3.93Å; L679-I684 HydrophobicContact CD2-CD1 4.45Å; L679-L693 HydrophobicContact CD1-CD1 4.45Å; L679-L693 HydrophobicContact CD2-CD1 4.28Å; L679-H723 CarbonylContact O-C 3.42Å; L679-H723 WeakPolarHBondContact O-CA 3.36Å; L679-H723 VanDerWaalsContact O-CB 3.31Å; L679-H723 WeakPolarHBondContact O-CB 3.25Å; L679-V724 HydrophobicContact CB-CG2 3.92Å; L679-V724 HydrophobicContact CD1-CG2 4.35Å; L679-V724 PolarHBondContact N-O 3.32Å; L679-V724 PolarHBondContact O-N 3.22Å; L679-F726 HydrophobicContact CD1-CD2 3.68Å; L679-F726 HydrophobicContact CD1-CE2 3.67Å
680	K	90.5	Very high	91.2	Very high	30 Å²	30	41.1 Å²	41.1	13%	0.13	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.1	-177.5	-74.5	167.9	167.6	-177.6	0	111.5	G682 D683 I684 T949 P950	K680-G682 VanDerWaalsContact C-N 3.25Å; K680-G682 PolarHBondContact O-N 2.9Å; K680-D683 HydrophobicContact CB-CB 4.03Å; K680-D683 WeakPolarHBondContact CD-OD2 3.26Å; K680-D683 PolarHBondContact O-N 2.86Å; K680-I684 WeakPolarHBondContact O-CG1 3.49Å; K680-I684 PolarHBondContact O-N 3.26Å; K680-I684 VanDerWaalsContact O-N 3.09Å; K680-T949 WeakPolarHBondContact CE-O 3.42Å; K680-P950 WeakPolarHBondContact CE-O 3.19Å; K680-P950 PolarHBondContact NZ-O 2.87Å
681	K	91.3	Very high	91.1	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-53.6	-44.2	177.3	-68.5	179	162.9	179.9	0	111.7	D683 I684 V685 T720 E722 V724 L957 F965	K681-D683 VanDerWaalsContact C-N 3.32Å; K681-D683 PolarHBondContact O-N 2.94Å; K681-I684 PolarHBondContact O-N 2.86Å; K681-V685 WeakPolarHBondContact O-CG2 3.38Å; K681-V685 PolarHBondContact O-N 3.22Å; K681-T720 WeakPolarHBondContact CE-O 3.41Å; K681-T720 PolarHBondContact NZ-O 3.01Å; K681-E722 PolarHBondContact N-O 3.41Å; K681-V724 HydrophobicContact CD-CG1 4.42Å; K681-V724 HydrophobicContact CG-CG1 3.89Å; K681-L957 HydrophobicContact CB-CD1 3.45Å; K681-L957 VanDerWaalsContact CB-CD1 3.45Å; K681-L957 HydrophobicContact CD-CD1 4.27Å; K681-F965 HydrophobicContact CB-CE2 3.85Å; K681-F965 HydrophobicContact CB-CZ 3.86Å; K681-F965 HydrophobicContact CD-CD2 3.88Å; K681-F965 HydrophobicContact CD-CE2 4.07Å; K681-F965 HydrophobicContact CD-CG 4.22Å; K681-F965 HydrophobicContact CG-CD1 4.33Å; K681-F965 HydrophobicContact CG-CD2 4.09Å; K681-F965 HydrophobicContact CG-CE1 4.12Å; K681-F965 HydrophobicContact CG-CE2 3.87Å; K681-F965 HydrophobicContact CG-CG 4.32Å; K681-F965 HydrophobicContact CG-CZ 3.88Å
682	G	88.9	Confident	91	Very high	17 Å²	17	44.1 Å²	44.1	18%	0.175	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-31.1	178.7	0	0	0	0	0	114.9	K680 A686	K680-G682 VanDerWaalsContact C-N 3.25Å; K680-G682 PolarHBondContact O-N 2.9Å; G682-A686 VanDerWaalsContact O-CB 3.23Å; G682-A686 WeakPolarHBondContact O-CB 3.29Å; G682-A686 PolarHBondContact O-N 2.92Å
683	D	87.8	Confident	90.9	Very high	70 Å²	70	39.3 Å²	39.3	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-78.4	-33.4	175	-72.5	-38.3	0	0	0	111.1	K680 K681 R687	K680-D683 HydrophobicContact CB-CB 4.03Å; K680-D683 WeakPolarHBondContact CD-OD2 3.26Å; K680-D683 PolarHBondContact O-N 2.86Å; K681-D683 VanDerWaalsContact C-N 3.32Å; K681-D683 PolarHBondContact O-N 2.94Å; D683-R687 WeakPolarHBondContact O-CD 3.5Å; D683-R687 WeakPolarHBondContact O-CG 3.36Å; D683-R687 PolarHBondContact O-NE 2.84Å
684	I	88.7	Confident	90.8	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-69.9	-50	177.4	-63.6	164.3	0	0	0	111.2	L679 K680 K681 A686 R687 D688 E689 V690 L693 V724 F965	L679-I684 HydrophobicContact CB-CD1 3.93Å; L679-I684 HydrophobicContact CD2-CD1 4.45Å; K680-I684 WeakPolarHBondContact O-CG1 3.49Å; K680-I684 PolarHBondContact O-N 3.26Å; K680-I684 VanDerWaalsContact O-N 3.09Å; K681-I684 PolarHBondContact O-N 2.86Å; I684-A686 VanDerWaalsContact C-N 3.26Å; I684-A686 PolarHBondContact O-N 3.18Å; I684-R687 PolarHBondContact O-N 3.06Å; I684-D688 PolarHBondContact O-N 2.77Å; I684-E689 HydrophobicContact CG2-CB 3.98Å; I684-E689 PolarHBondContact O-N 3.39Å; I684-V690 HydrophobicContact CG2-CG2 3.89Å; I684-L693 HydrophobicContact CD1-CD1 4.27Å; I684-L693 HydrophobicContact CD1-CD2 4.26Å; I684-V724 HydrophobicContact CD1-CG2 3.88Å; I684-F965 HydrophobicContact CG2-CE1 4.41Å; I684-F965 HydrophobicContact CG2-CZ 4.41Å
685	V	90.1	Very high	90.6	Very high	26 Å²	26	40 Å²	40	16%	0.158	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-34.8	177.2	174.8	0	0	0	0	111.1	K681 R687 V690 L957 E961 F965	K681-V685 WeakPolarHBondContact O-CG2 3.38Å; K681-V685 PolarHBondContact O-N 3.22Å; V685-R687 PolarHBondContact O-N 3.09Å; V685-R687 VanDerWaalsContact O-N 3.14Å; V685-V690 HydrophobicContact CG2-CG2 4.35Å; V685-L957 HydrophobicContact CB-CD2 4.32Å; V685-L957 HydrophobicContact CG1-CD2 4.4Å; V685-L957 HydrophobicContact CG2-CD2 4.3Å; V685-E961 HydrophobicContact CG1-CG 4.2Å; V685-F965 HydrophobicContact CG2-CE2 3.74Å; V685-F965 HydrophobicContact CG2-CZ 3.79Å
686	A	87.4	Confident	90.4	Very high	66 Å²	66	39.8 Å²	39.8	55%	0.545	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.7	176	0	0	0	0	0	114.6	G682 I684	G682-A686 VanDerWaalsContact O-CB 3.23Å; G682-A686 WeakPolarHBondContact O-CB 3.29Å; G682-A686 PolarHBondContact O-N 2.92Å; I684-A686 VanDerWaalsContact C-N 3.26Å; I684-A686 PolarHBondContact O-N 3.18Å
687	R	84.6	Confident	90.4	Very high	109 Å²	109	40.7 Å²	40.7	41%	0.411	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-5.6	-176.5	-65.5	167.8	-179.9	-88.7	7	114.6	H658 D683 I684 V685 E689	H658-R687 PolarHBondContact CE1-NH1 3.43Å; H658-R687 PolarHBondContact CE1-NH2 2.83Å; H658-R687 PolarHBondContact NE2-NH2 2.56Å; D683-R687 WeakPolarHBondContact O-CD 3.5Å; D683-R687 WeakPolarHBondContact O-CG 3.36Å; D683-R687 PolarHBondContact O-NE 2.84Å; I684-R687 PolarHBondContact O-N 3.06Å; V685-R687 PolarHBondContact O-N 3.09Å; V685-R687 VanDerWaalsContact O-N 3.14Å; R687-E689 VanDerWaalsContact C-N 3.31Å; R687-E689 HydrophobicContact CB-CB 4.22Å; R687-E689 HydrophobicContact CB-CG 3.64Å; R687-E689 VanDerWaalsContact CD-CD 3.41Å; R687-E689 WeakPolarHBondContact CD-OE1 3.48Å; R687-E689 WeakPolarHBondContact CD-OE2 3.21Å
688	D	88	Confident	90.4	Very high	158 Å²	158	44.3 Å²	44.3	85%	0.845	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	33.3	-172.5	-144.7	26.3	0	0	0	112.8	I684	I684-D688 PolarHBondContact O-N 2.77Å
689	E	89.5	Confident	90.4	Very high	54 Å²	54	44.2 Å²	44.2	25%	0.252	24%	0.236	S	C	.	.			trans	-97.7	8.6	-171.8	-76.2	169.5	-177.7	0	0	114.1	F659 I684 R687 D691 S692 L693	F659-E689 WeakPolarHBondContact CD1-OE2 3.47Å; F659-E689 VanDerWaalsContact CE1-OE2 3.28Å; F659-E689 WeakPolarHBondContact CE1-OE2 3.28Å; I684-E689 HydrophobicContact CG2-CB 3.98Å; I684-E689 PolarHBondContact O-N 3.39Å; R687-E689 VanDerWaalsContact C-N 3.31Å; R687-E689 HydrophobicContact CB-CB 4.22Å; R687-E689 HydrophobicContact CB-CG 3.64Å; R687-E689 VanDerWaalsContact CD-CD 3.41Å; R687-E689 WeakPolarHBondContact CD-OE1 3.48Å; R687-E689 WeakPolarHBondContact CD-OE2 3.21Å; E689-D691 PolarHBondContact O-N 2.81Å; E689-S692 WeakPolarHBondContact O-CB 3.46Å; E689-S692 PolarHBondContact O-N 3.3Å; E689-S692 VanDerWaalsContact O-N 3.11Å; E689-L693 PolarHBondContact O-N 3.46Å; E689-L693 VanDerWaalsContact O-N 3.11Å
690	V	91.4	Very high	90.5	Very high	20 Å²	20	43.7 Å²	43.7	12%	0.121	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-44.9	-175.1	-178.6	0	0	0	0	112.3	I684 V685 S692 L693 M694 L964 F965	I684-V690 HydrophobicContact CG2-CG2 3.89Å; V685-V690 HydrophobicContact CG2-CG2 4.35Å; V690-S692 PolarHBondContact O-N 3.18Å; V690-L693 WeakPolarHBondContact O-CB 3.3Å; V690-L693 PolarHBondContact O-N 3.33Å; V690-L693 VanDerWaalsContact O-N 3.08Å; V690-M694 HydrophobicContact CG1-CG 4.49Å; V690-M694 PolarHBondContact O-N 2.93Å; V690-L964 HydrophobicContact CG1-CB 4.24Å; V690-L964 WeakPolarHBondContact CG1-O 3.38Å; V690-L964 HydrophobicContact CG2-CD1 4.38Å; V690-F965 HydrophobicContact CG1-CE1 4.4Å; V690-F965 HydrophobicContact CG2-CE1 4.32Å; V690-F965 HydrophobicContact CG2-CZ 4.04Å
691	D	89.4	Confident	90.6	Very high	137 Å²	137	45.2 Å²	45.2	73%	0.733	24%	0.241	S	C	*	.	H	α-helix	trans	-60.6	-30.6	176.6	-73	-15.1	0	0	0	112.1	E689 C695	E689-D691 PolarHBondContact O-N 2.81Å; D691-C695 VanDerWaalsContact O-CB 3.25Å; D691-C695 WeakPolarHBondContact O-CB 3.33Å; D691-C695 PolarHBondContact O-N 3.44Å
692	S	89	Confident	90.7	Very high	54 Å²	54	47.2 Å²	47.2	38%	0.378	25%	0.253	S	S	.	.	H	α-helix	trans	-72.3	-36.9	176.4	-154.3	0	0	0	0	111.9	E689 V690 C695 E696	E689-S692 WeakPolarHBondContact O-CB 3.46Å; E689-S692 PolarHBondContact O-N 3.3Å; E689-S692 VanDerWaalsContact O-N 3.11Å; V690-S692 PolarHBondContact O-N 3.18Å; S692-C695 WeakPolarHBondContact O-CB 3.34Å; S692-C695 PolarHBondContact O-N 3.44Å; S692-E696 PolarHBondContact O-N 3.44Å
693	L	91.4	Very high	90.8	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-45.1	172	-179.6	80.7	0	0	0	111.3	L679 I684 E689 V690 C695 E696 K697 V724 F726 F965 F968	L679-L693 HydrophobicContact CD1-CD1 4.45Å; L679-L693 HydrophobicContact CD2-CD1 4.28Å; I684-L693 HydrophobicContact CD1-CD1 4.27Å; I684-L693 HydrophobicContact CD1-CD2 4.26Å; E689-L693 PolarHBondContact O-N 3.46Å; E689-L693 VanDerWaalsContact O-N 3.11Å; V690-L693 WeakPolarHBondContact O-CB 3.3Å; V690-L693 PolarHBondContact O-N 3.33Å; V690-L693 VanDerWaalsContact O-N 3.08Å; L693-C695 VanDerWaalsContact C-N 3.31Å; L693-C695 PolarHBondContact O-N 2.91Å; L693-E696 WeakPolarHBondContact O-CB 3.33Å; L693-E696 PolarHBondContact O-N 3.12Å; L693-K697 PolarHBondContact O-N 3.31Å; L693-V724 HydrophobicContact CD1-CG2 3.91Å; L693-V724 HydrophobicContact CD2-CB 4.37Å; L693-V724 HydrophobicContact CD2-CG1 4.21Å; L693-V724 HydrophobicContact CD2-CG2 3.85Å; L693-F726 HydrophobicContact CD1-CE2 3.58Å; L693-F726 HydrophobicContact CD1-CZ 3.7Å; L693-F726 HydrophobicContact CG-CZ 4.39Å; L693-F965 HydrophobicContact CD2-CD1 3.8Å; L693-F965 HydrophobicContact CD2-CE1 3.7Å; L693-F968 HydrophobicContact CD1-CE2 4.03Å; L693-F968 HydrophobicContact CD2-CD2 3.78Å; L693-F968 HydrophobicContact CD2-CE2 3.87Å; L693-F968 HydrophobicContact CG-CD2 4.15Å; L693-F968 HydrophobicContact CG-CE2 3.89Å
694	M	92	Very high	90.9	Very high	26 Å²	26	43.2 Å²	43.2	13%	0.128	23%	0.228	C	C	.	.	H	α-helix	trans	-69.7	-29.9	178.9	-64	-57.8	-164.3	0	0	112.2	V690 R698 L964 F968	V690-M694 HydrophobicContact CG1-CG 4.49Å; V690-M694 PolarHBondContact O-N 2.93Å; M694-R698 PolarHBondContact O-N 2.88Å; M694-R698 VanDerWaalsContact O-N 3.09Å; M694-R698 PolarHBondContact O-NH1 3.21Å; M694-L964 WeakPolarHBondContact CE-O 3.36Å; M694-F968 HydrophobicContact CE-CB 4.13Å; M694-F968 HydrophobicContact SD-CB 4.49Å; M694-F968 HydrophobicContact SD-CD2 4.29Å
695	C	91.1	Very high	90.9	Very high	15 Å²	15	47 Å²	47	10%	0.101	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-46.4	167.9	-172.9	0	0	0	0	111.4	D691 S692 L693 K697 R698 I699	D691-C695 VanDerWaalsContact O-CB 3.25Å; D691-C695 WeakPolarHBondContact O-CB 3.33Å; D691-C695 PolarHBondContact O-N 3.44Å; S692-C695 WeakPolarHBondContact O-CB 3.34Å; S692-C695 PolarHBondContact O-N 3.44Å; L693-C695 VanDerWaalsContact C-N 3.31Å; L693-C695 PolarHBondContact O-N 2.91Å; C695-K697 VanDerWaalsContact C-N 3.3Å; C695-K697 PolarHBondContact O-N 2.95Å; C695-R698 PolarHBondContact O-N 3.26Å; C695-I699 WeakPolarHBondContact O-CB 3.49Å; C695-I699 VanDerWaalsContact O-CG1 3.29Å; C695-I699 WeakPolarHBondContact O-CG1 3.48Å; C695-I699 PolarHBondContact O-N 2.87Å
696	E	93.3	Very high	90.8	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-56.8	-42.8	174.7	179.9	168.8	-164.7	0	0	111.4	K677 S692 L693 I699 F700 F726 F792 G793	K677-E696 IonicContact NZ-OE1 2.68Å; K677-E696 PolarHBondContact NZ-OE1 2.94Å; K677-E696 IonicContact NZ-OE2 2.64Å; K677-E696 PolarHBondContact NZ-OE2 3.19Å; S692-E696 PolarHBondContact O-N 3.44Å; L693-E696 WeakPolarHBondContact O-CB 3.33Å; L693-E696 PolarHBondContact O-N 3.12Å; E696-I699 PolarHBondContact O-N 3.23Å; E696-F700 HydrophobicContact CG-CD2 3.96Å; E696-F700 HydrophobicContact CG-CE2 3.81Å; E696-F700 WeakPolarHBondContact O-CD2 3.47Å; E696-F700 PolarHBondContact O-N 3.42Å; E696-F726 HydrophobicContact CB-CZ 4.21Å; E696-F726 HydrophobicContact CG-CE1 4.23Å; E696-F726 HydrophobicContact CG-CE2 4.45Å; E696-F726 HydrophobicContact CG-CZ 3.88Å; E696-F792 HydrophobicContact CG-CB 4.25Å; E696-G793 PolarHBondContact OE1-N 2.94Å; E696-G793 WeakPolarHBondContact OE2-CA 3.17Å
697	K	93.8	Very high	91	Very high	18 Å²	18	53 Å²	53	8%	0.078	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-55.2	172.7	173.5	175.6	172.4	170.1	0	112.6	L693 C695 I699 F700 E701 F726 D967 F968 D969	L693-K697 PolarHBondContact O-N 3.31Å; C695-K697 VanDerWaalsContact C-N 3.3Å; C695-K697 PolarHBondContact O-N 2.95Å; K697-I699 PolarHBondContact O-N 3.05Å; K697-F700 WeakPolarHBondContact O-CB 3.43Å; K697-F700 PolarHBondContact O-N 3.13Å; K697-F700 VanDerWaalsContact O-N 3.07Å; K697-E701 WeakPolarHBondContact CE-OE1 3.39Å; K697-E701 HydrophobicContact CG-CG 4.41Å; K697-E701 IonicContact NZ-OE1 2.7Å; K697-E701 WeakPolarHBondContact O-CG 3.41Å; K697-E701 PolarHBondContact O-N 3.23Å; K697-F726 HydrophobicContact CB-CE1 4.23Å; K697-D967 PolarHBondContact NZ-O 3.46Å; K697-F968 VanDerWaalsContact CD-O 3.3Å; K697-F968 WeakPolarHBondContact CD-O 3Å; K697-F968 WeakPolarHBondContact CE-O 3.45Å; K697-F968 VanDerWaalsContact NZ-C 3.26Å; K697-F968 PolarHBondContact NZ-O 2.97Å; K697-D969 PolarHBondContact NZ-O 3.47Å
698	R	94.5	Very high	91.4	Very high	95 Å²	95	48.4 Å²	48.4	36%	0.358	25%	0.253	S	S	.	.	H	α-helix	trans	-58.8	-32.4	-179.1	-74.3	-170.3	-61.6	-81.4	6.8	113	M694 C695 E701 T702 E797	M694-R698 PolarHBondContact O-N 2.88Å; M694-R698 VanDerWaalsContact O-N 3.09Å; M694-R698 PolarHBondContact O-NH1 3.21Å; C695-R698 PolarHBondContact O-N 3.26Å; R698-E701 WeakPolarHBondContact CA-OE2 3.42Å; R698-E701 PolarHBondContact O-N 3.35Å; R698-T702 WeakPolarHBondContact O-CB 3.45Å; R698-T702 PolarHBondContact O-N 3.3Å; R698-T702 PolarHBondContact O-OG1 3.45Å; R698-E797 IonicContact CZ-OE1 2.68Å; R698-E797 IonicContact CZ-OE2 2.75Å; R698-E797 IonicContact NE-OE1 2.85Å; R698-E797 IonicContact NE-OE2 2.75Å; R698-E797 PolarHBondContact NE-OE2 2.89Å; R698-E797 IonicContact NH2-OE1 3.45Å; R698-E797 PolarHBondContact NH2-OE1 3.26Å; R698-E797 IonicContact NH2-OE2 3.44Å
699	I	93.9	Very high	91.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-71	-42.8	177.2	-70.2	172	0	0	0	110.5	C695 E696 K697 T702 V703 I769 F792 C795	C695-I699 WeakPolarHBondContact O-CB 3.49Å; C695-I699 VanDerWaalsContact O-CG1 3.29Å; C695-I699 WeakPolarHBondContact O-CG1 3.48Å; C695-I699 PolarHBondContact O-N 2.87Å; E696-I699 PolarHBondContact O-N 3.23Å; K697-I699 PolarHBondContact O-N 3.05Å; I699-T702 WeakPolarHBondContact O-CB 3.45Å; I699-T702 PolarHBondContact O-N 2.79Å; I699-V703 WeakPolarHBondContact O-CG2 3.39Å; I699-V703 PolarHBondContact O-N 3.02Å; I699-I769 HydrophobicContact CD1-CG2 3.83Å; I699-I769 HydrophobicContact CG1-CD1 3.98Å; I699-I769 HydrophobicContact CG1-CG1 4.24Å; I699-I769 HydrophobicContact CG1-CG2 4.25Å; I699-I769 HydrophobicContact CG2-CD1 4.27Å; I699-I769 HydrophobicContact CG2-CG2 4.32Å; I699-F792 HydrophobicContact CG2-CB 3.94Å; I699-F792 HydrophobicContact CG2-CD1 4.27Å; I699-F792 HydrophobicContact CG2-CG 4.01Å; I699-C795 HydrophobicContact CD1-CB 3.44Å; I699-C795 VanDerWaalsContact CD1-CB 3.44Å
700	F	93.9	Very high	92.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-44.1	169.8	-85.5	-65.8	0	0	0	112.6	E696 K697 T702 V703 N704 V712 L714 F726 M728 F792	E696-F700 HydrophobicContact CG-CD2 3.96Å; E696-F700 HydrophobicContact CG-CE2 3.81Å; E696-F700 WeakPolarHBondContact O-CD2 3.47Å; E696-F700 PolarHBondContact O-N 3.42Å; K697-F700 WeakPolarHBondContact O-CB 3.43Å; K697-F700 PolarHBondContact O-N 3.13Å; K697-F700 VanDerWaalsContact O-N 3.07Å; F700-T702 VanDerWaalsContact C-N 3.28Å; F700-T702 PolarHBondContact O-N 2.64Å; F700-V703 PolarHBondContact O-N 2.91Å; F700-N704 VanDerWaalsContact O-CB 3.26Å; F700-N704 WeakPolarHBondContact O-CB 3.48Å; F700-N704 PolarHBondContact O-N 3.48Å; F700-N704 PolarHBondContact O-OD1 3.2Å; F700-V712 HydrophobicContact CE1-CG1 4.5Å; F700-L714 HydrophobicContact CB-CB 3.81Å; F700-L714 HydrophobicContact CB-CD2 3.69Å; F700-L714 HydrophobicContact CB-CG 4.28Å; F700-L714 HydrophobicContact CD1-CB 3.7Å; F700-L714 HydrophobicContact CE1-CB 4.41Å; F700-L714 HydrophobicContact CG-CB 3.89Å; F700-L714 HydrophobicContact CG-CD1 4.42Å; F700-L714 HydrophobicContact CG-CD2 4.21Å; F700-L714 HydrophobicContact CG-CG 4.41Å; F700-F726 AromaticContact CD2-CD1 3.91Å; F700-F726 HydrophobicContact CD2-CD1 3.91Å; F700-F726 HydrophobicContact CD2-CE1 4.01Å; F700-F726 AromaticContact CE2-CD1 3.94Å; F700-F726 HydrophobicContact CE2-CD1 3.94Å; F700-F726 HydrophobicContact CE2-CE1 4.24Å; F700-F726 HydrophobicContact CE2-CG 4.35Å; F700-M728 HydrophobicContact CE1-CG 4.35Å; F700-M728 HydrophobicContact CE1-SD 4.27Å; F700-M728 HydrophobicContact CZ-CG 4.15Å; F700-M728 HydrophobicContact CZ-SD 3.67Å; F700-F792 AromaticContact CD1-CD2 3.79Å; F700-F792 HydrophobicContact CD1-CD2 3.79Å; F700-F792 AromaticContact CD1-CE2 3.87Å; F700-F792 HydrophobicContact CD1-CE2 3.87Å; F700-F792 HydrophobicContact CD2-CD2 4.3Å; F700-F792 AromaticContact CE1-CD2 3.49Å; F700-F792 HydrophobicContact CE1-CD2 3.49Å; F700-F792 VanDerWaalsContact CE1-CD2 3.49Å; F700-F792 AromaticContact CE1-CE2 3.54Å; F700-F792 HydrophobicContact CE1-CE2 3.54Å; F700-F792 HydrophobicContact CE2-CD2 4.02Å; F700-F792 HydrophobicContact CG-CD2 4.2Å; F700-F792 AromaticContact CZ-CD2 3.62Å; F700-F792 HydrophobicContact CZ-CD2 3.62Å; F700-F792 HydrophobicContact CZ-CE2 4.08Å
701	E	92.1	Very high	92.5	Very high	62 Å²	62	38.8 Å²	38.8	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-39.7	175.5	-68.3	171.2	156.4	0	0	111.7	K697 R698 N704 S705 Y970	K697-E701 WeakPolarHBondContact CE-OE1 3.39Å; K697-E701 HydrophobicContact CG-CG 4.41Å; K697-E701 IonicContact NZ-OE1 2.7Å; K697-E701 WeakPolarHBondContact O-CG 3.41Å; K697-E701 PolarHBondContact O-N 3.23Å; R698-E701 WeakPolarHBondContact CA-OE2 3.42Å; R698-E701 PolarHBondContact O-N 3.35Å; E701-N704 WeakPolarHBondContact O-CB 3.4Å; E701-N704 PolarHBondContact O-N 3.29Å; E701-S705 PolarHBondContact O-N 2.96Å; E701-Y970 HydrophobicContact CG-CD2 4.03Å; E701-Y970 HydrophobicContact CG-CE2 3.84Å; E701-Y970 WeakPolarHBondContact OE1-CD2 3.45Å
702	T	93.3	Very high	92.8	Very high	44 Å²	44	32.4 Å²	32.4	27%	0.27	17%	0.17	S	C	.	.	H	α-helix	trans	-65.2	-46	175.3	-56.6	0	0	0	0	111.7	R698 I699 F700 N704 S705 H767 I769	R698-T702 WeakPolarHBondContact O-CB 3.45Å; R698-T702 PolarHBondContact O-N 3.3Å; R698-T702 PolarHBondContact O-OG1 3.45Å; I699-T702 WeakPolarHBondContact O-CB 3.45Å; I699-T702 PolarHBondContact O-N 2.79Å; F700-T702 VanDerWaalsContact C-N 3.28Å; F700-T702 PolarHBondContact O-N 2.64Å; T702-N704 VanDerWaalsContact C-N 3.33Å; T702-N704 PolarHBondContact O-N 3.34Å; T702-S705 WeakPolarHBondContact O-CB 3.34Å; T702-S705 PolarHBondContact O-N 2.88Å; T702-S705 PolarHBondContact O-OG 3.49Å; T702-H767 HydrophobicContact CG2-CB 4Å; T702-I769 HydrophobicContact CG2-CD1 4.12Å
703	V	90.9	Very high	93	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-41.9	175.7	170.1	0	0	0	0	111.6	I699 F700 S705 V706 R707 L711 F763 L764	I699-V703 WeakPolarHBondContact O-CG2 3.39Å; I699-V703 PolarHBondContact O-N 3.02Å; F700-V703 PolarHBondContact O-N 2.91Å; V703-S705 VanDerWaalsContact C-N 3.27Å; V703-S705 PolarHBondContact O-N 3.39Å; V703-V706 PolarHBondContact O-N 3.18Å; V703-R707 PolarHBondContact O-N 3.04Å; V703-L711 HydrophobicContact CB-CD1 4.4Å; V703-L711 HydrophobicContact CG1-CB 3.66Å; V703-L711 HydrophobicContact CG1-CD1 3.92Å; V703-L711 HydrophobicContact CG1-CG 4.43Å; V703-L711 HydrophobicContact CG2-CD1 3.62Å; V703-F763 HydrophobicContact CB-CE1 4.43Å; V703-F763 HydrophobicContact CG2-CD1 4.5Å; V703-F763 HydrophobicContact CG2-CE1 3.94Å; V703-L764 HydrophobicContact CG2-CD2 4.2Å
704	N	90.6	Very high	93.1	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-35.4	178.8	-88.7	10.9	0	0	0	112.7	F700 E701 T702 V706 R707 L714 Y970 W974	F700-N704 VanDerWaalsContact O-CB 3.26Å; F700-N704 WeakPolarHBondContact O-CB 3.48Å; F700-N704 PolarHBondContact O-N 3.48Å; F700-N704 PolarHBondContact O-OD1 3.2Å; E701-N704 WeakPolarHBondContact O-CB 3.4Å; E701-N704 PolarHBondContact O-N 3.29Å; T702-N704 VanDerWaalsContact C-N 3.33Å; T702-N704 PolarHBondContact O-N 3.34Å; N704-V706 PolarHBondContact O-N 2.93Å; N704-R707 WeakPolarHBondContact O-CG 3.05Å; N704-R707 PolarHBondContact O-N 3.2Å; N704-L714 PolarHBondContact ND2-O 3.31Å; N704-L714 PolarHBondContact OD1-N 3.13Å; N704-L714 PolarHBondContact OD1-O 3.29Å; N704-Y970 PolarHBondContact ND2-OH 3.5Å; N704-W974 HydrophobicContact CB-CH2 3.6Å; N704-W974 HydrophobicContact CB-CZ3 4.29Å; N704-W974 WeakPolarHBondContact O-CH2 3.34Å; N704-W974 WeakPolarHBondContact O-CZ3 3.33Å
705	S	89.1	Confident	93.2	Very high	86 Å²	86	29.8 Å²	29.8	60%	0.601	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.9	-176.1	73	0	0	0	0	115.3	E701 T702 V703	E701-S705 PolarHBondContact O-N 2.96Å; T702-S705 WeakPolarHBondContact O-CB 3.34Å; T702-S705 PolarHBondContact O-N 2.88Å; T702-S705 PolarHBondContact O-OG 3.49Å; V703-S705 VanDerWaalsContact C-N 3.27Å; V703-S705 PolarHBondContact O-N 3.39Å
706	V	88.2	Confident	93.3	Very high	84 Å²	84	29.1 Å²	29.1	51%	0.509	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	0	174.3	-52.5	0	0	0	0	113.7	V703 N704 H708 F763	V703-V706 PolarHBondContact O-N 3.18Å; N704-V706 PolarHBondContact O-N 2.93Å; V706-H708 HydrophobicContact CG2-CB 4.05Å; V706-H708 PolarHBondContact O-N 2.89Å; V706-F763 HydrophobicContact CB-CE2 4.39Å; V706-F763 HydrophobicContact CG1-CE2 4.24Å; V706-F763 HydrophobicContact CG2-CD2 3.94Å; V706-F763 HydrophobicContact CG2-CE2 3.25Å; V706-F763 HydrophobicContact CG2-CZ 3.77Å
707	R	90.8	Very high	93.4	Very high	133 Å²	133	29 Å²	29	50%	0.502	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	53.9	-172.6	-61.9	-175.5	65.7	165.1	0.2	114.1	V703 N704 N713 W974	V703-R707 PolarHBondContact O-N 3.04Å; N704-R707 WeakPolarHBondContact O-CG 3.05Å; N704-R707 PolarHBondContact O-N 3.2Å; R707-N713 WeakPolarHBondContact CA-OD1 3.31Å; R707-W974 HydrophobicContact CG-CE3 4.35Å; R707-W974 HydrophobicContact CG-CH2 3.47Å; R707-W974 VanDerWaalsContact CG-CH2 3.47Å; R707-W974 HydrophobicContact CG-CZ2 4.01Å; R707-W974 HydrophobicContact CG-CZ3 3.69Å; R707-W974 VanDerWaalsContact NH1-CD1 3.34Å; R707-W974 VanDerWaalsContact NH1-CG 3.29Å
708	H	94.2	Very high	93.5	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.065	14%	0.143	C	C	.	.			trans	-57	127.5	-169.5	-172.1	-94.1	0	0	0	112.2	V706 F710 L711 N713 F763	V706-H708 HydrophobicContact CG2-CB 4.05Å; V706-H708 PolarHBondContact O-N 2.89Å; H708-F710 VanDerWaalsContact C-N 3.31Å; H708-F710 AromaticContact CE1-CD2 3.97Å; H708-F710 PolarHBondContact ND1-N 3.24Å; H708-F710 PolarHBondContact O-N 3.4Å; H708-L711 HydrophobicContact CB-CB 4.38Å; H708-L711 HydrophobicContact CB-CD1 4.08Å; H708-L711 HydrophobicContact CB-CG 4.27Å; H708-L711 PolarHBondContact O-N 3.34Å; H708-N713 PolarHBondContact O-ND2 3.42Å; H708-F763 HydrophobicContact CB-CG 4.45Å
709	P	95.4	Very high	93.4	Very high	29 Å²	29	25.6 Å²	25.6	19%	0.188	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.8	-166.4	23.5	-34.3	0	0	0	113.6	K788 L916	P709-K788 WeakPolarHBondContact O-CE 3.12Å; P709-K788 WeakPolarHBondContact O-CG 3.23Å; P709-K788 PolarHBondContact O-NZ 3.43Å; P709-L916 HydrophobicContact CG-CD1 3.87Å
710	F	97.6	Very high	93.2	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	16.7	-177.6	-49.9	-51.8	0	0	0	114.1	H708 C756 L759 Y786 V787 K788 I789 L915 L916	H708-F710 VanDerWaalsContact C-N 3.31Å; H708-F710 AromaticContact CE1-CD2 3.97Å; H708-F710 PolarHBondContact ND1-N 3.24Å; H708-F710 PolarHBondContact O-N 3.4Å; F710-C756 HydrophobicContact CB-CB 4.32Å; F710-C756 WeakPolarHBondContact CB-O 3.22Å; F710-C756 HydrophobicContact CD1-CB 3.87Å; F710-C756 HydrophobicContact CD2-CB 4.38Å; F710-C756 HydrophobicContact CE1-CB 4.3Å; F710-C756 HydrophobicContact CG-CB 3.92Å; F710-L759 HydrophobicContact CD2-CB 3.88Å; F710-L759 HydrophobicContact CD2-CD1 4.06Å; F710-L759 HydrophobicContact CE2-CB 4.33Å; F710-L759 HydrophobicContact CE2-CD1 3.63Å; F710-Y786 AromaticContact CE1-CD1 3.73Å; F710-Y786 HydrophobicContact CE1-CD1 3.73Å; F710-Y786 HydrophobicContact CE1-CG 4.12Å; F710-Y786 HydrophobicContact CZ-CD1 4.35Å; F710-V787 WeakPolarHBondContact CA-O 3.06Å; F710-V787 WeakPolarHBondContact CB-O 3.32Å; F710-V787 WeakPolarHBondContact CD1-O 3.32Å; F710-K788 WeakPolarHBondContact O-CA 3.05Å; F710-I789 PolarHBondContact O-N 3.1Å; F710-L915 HydrophobicContact CE2-CG 4.02Å; F710-L915 HydrophobicContact CZ-CD1 3.89Å; F710-L915 HydrophobicContact CZ-CG 3.82Å; F710-L915 WeakPolarHBondContact CZ-O 3.5Å; F710-L916 HydrophobicContact CE2-CD1 4.36Å
711	L	97.2	Very high	92.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-118.7	153.9	168	-61.3	178.8	0	0	0	108.5	V703 H708 N713 F763 L764 K788 I789 F792	V703-L711 HydrophobicContact CB-CD1 4.4Å; V703-L711 HydrophobicContact CG1-CB 3.66Å; V703-L711 HydrophobicContact CG1-CD1 3.92Å; V703-L711 HydrophobicContact CG1-CG 4.43Å; V703-L711 HydrophobicContact CG2-CD1 3.62Å; H708-L711 HydrophobicContact CB-CB 4.38Å; H708-L711 HydrophobicContact CB-CD1 4.08Å; H708-L711 HydrophobicContact CB-CG 4.27Å; H708-L711 PolarHBondContact O-N 3.34Å; L711-N713 PolarHBondContact O-ND2 3Å; L711-N713 VanDerWaalsContact O-ND2 3.15Å; L711-F763 HydrophobicContact CD1-CD1 3.52Å; L711-F763 HydrophobicContact CD1-CE1 4.15Å; L711-F763 HydrophobicContact CD1-CG 4.29Å; L711-L764 HydrophobicContact CD1-CD2 4.16Å; L711-L764 HydrophobicContact CD1-CG 4.24Å; L711-L764 HydrophobicContact CD2-CD1 4.39Å; L711-K788 PolarHBondContact O-NZ 3.4Å; L711-K788 VanDerWaalsContact O-NZ 3.09Å; L711-I789 HydrophobicContact CD2-CB 3.72Å; L711-I789 HydrophobicContact CD2-CD1 3.89Å; L711-I789 HydrophobicContact CD2-CG1 3.96Å; L711-F792 HydrophobicContact CB-CZ 4.16Å; L711-F792 HydrophobicContact CD2-CE1 4.2Å; L711-F792 HydrophobicContact CD2-CZ 4.18Å
712	V	95.8	Very high	92.8	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-76.7	124.4	170.4	171.5	0	0	0	0	109.3	F700 M728 E729 L780 K788 I789 A790	F700-V712 HydrophobicContact CE1-CG1 4.5Å; V712-M728 HydrophobicContact CG1-CB 3.79Å; V712-M728 HydrophobicContact CG1-CG 4.33Å; V712-M728 HydrophobicContact CG1-SD 4.22Å; V712-E729 WeakPolarHBondContact CA-OE1 3.13Å; V712-E729 HydrophobicContact CG1-CG 4.15Å; V712-L780 HydrophobicContact CG2-CD1 4.44Å; V712-K788 HydrophobicContact CG2-CB 3.93Å; V712-I789 PolarHBondContact N-O 3.46Å; V712-A790 HydrophobicContact CB-CB 4.48Å; V712-A790 HydrophobicContact CG2-CB 3.74Å
713	N	93.3	Very high	92.7	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.07	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-91.2	148.8	-179.2	-64.9	-92.9	0	0	0	111.4	R707 H708 L711 M728 E729	R707-N713 WeakPolarHBondContact CA-OD1 3.31Å; H708-N713 PolarHBondContact O-ND2 3.42Å; L711-N713 PolarHBondContact O-ND2 3Å; L711-N713 VanDerWaalsContact O-ND2 3.15Å; N713-M728 WeakPolarHBondContact O-CA 3.22Å; N713-E729 WeakPolarHBondContact CB-OE1 3.46Å; N713-E729 PolarHBondContact N-OE1 3.2Å; N713-E729 PolarHBondContact ND2-OE1 3.41Å; N713-E729 PolarHBondContact O-N 3.33Å
714	L	94.7	Very high	92.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.3	177.7	-177.2	74.6	0	0	0	109.9	F700 N704 A716 F726 V727 M728 Y970	F700-L714 HydrophobicContact CB-CB 3.81Å; F700-L714 HydrophobicContact CB-CD2 3.69Å; F700-L714 HydrophobicContact CB-CG 4.28Å; F700-L714 HydrophobicContact CD1-CB 3.7Å; F700-L714 HydrophobicContact CE1-CB 4.41Å; F700-L714 HydrophobicContact CG-CB 3.89Å; F700-L714 HydrophobicContact CG-CD1 4.42Å; F700-L714 HydrophobicContact CG-CD2 4.21Å; F700-L714 HydrophobicContact CG-CG 4.41Å; N704-L714 PolarHBondContact ND2-O 3.31Å; N704-L714 PolarHBondContact OD1-N 3.13Å; N704-L714 PolarHBondContact OD1-O 3.29Å; L714-A716 WeakPolarHBondContact CD1-O 3.45Å; L714-F726 HydrophobicContact CD1-CB 3.86Å; L714-F726 HydrophobicContact CD1-CD1 3.94Å; L714-F726 HydrophobicContact CD1-CG 4.42Å; L714-V727 WeakPolarHBondContact CD1-O 3.17Å; L714-M728 HydrophobicContact CD1-CG 4.41Å; L714-Y970 HydrophobicContact CD2-CD1 3.55Å; L714-Y970 HydrophobicContact CD2-CE1 3.72Å; L714-Y970 HydrophobicContact CD2-CG 4.5Å; L714-Y970 HydrophobicContact CG-CD1 4.26Å; L714-Y970 HydrophobicContact CG-CE1 4.23Å
715	F	93.1	Very high	93	Very high	16 Å²	16	30.3 Å²	30.3	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-48.9	174	-176.3	-106.2	0	0	0	110.9	F643 Y667 F674 V727 A972 C975	F643-F715 HydrophobicContact CE1-CE1 4.15Å; F643-F715 HydrophobicContact CE2-CE1 4.37Å; F643-F715 HydrophobicContact CZ-CD1 4.46Å; F643-F715 AromaticContact CZ-CE1 3.67Å; F643-F715 HydrophobicContact CZ-CE1 3.67Å; F643-F715 HydrophobicContact CZ-CZ 4.38Å; Y667-F715 HydrophobicContact CD1-CE1 4.37Å; Y667-F715 HydrophobicContact CD1-CZ 4.36Å; Y667-F715 HydrophobicContact CE1-CE1 4.39Å; Y667-F715 HydrophobicContact CE1-CZ 4.29Å; F674-F715 HydrophobicContact CD1-CB 4.01Å; F674-F715 HydrophobicContact CD1-CD1 4.34Å; F674-F715 HydrophobicContact CD1-CG 4.09Å; F674-F715 HydrophobicContact CE1-CB 3.75Å; F674-F715 AromaticContact CE1-CD1 3.87Å; F674-F715 HydrophobicContact CE1-CD1 3.87Å; F674-F715 AromaticContact CE1-CD2 3.55Å; F674-F715 HydrophobicContact CE1-CD2 3.55Å; F674-F715 HydrophobicContact CE1-CE1 4.31Å; F674-F715 HydrophobicContact CE1-CE2 4.04Å; F674-F715 AromaticContact CE1-CG 3.45Å; F674-F715 HydrophobicContact CE1-CG 3.45Å; F674-F715 VanDerWaalsContact CE1-CG 3.45Å; F674-F715 HydrophobicContact CE1-CZ 4.38Å; F674-F715 HydrophobicContact CE2-CD1 4.48Å; F674-F715 HydrophobicContact CE2-CE1 4.29Å; F674-F715 HydrophobicContact CE2-CZ 4.42Å; F674-F715 AromaticContact CZ-CD1 3.94Å; F674-F715 HydrophobicContact CZ-CD1 3.94Å; F674-F715 AromaticContact CZ-CD2 3.76Å; F674-F715 HydrophobicContact CZ-CD2 3.76Å; F674-F715 AromaticContact CZ-CE1 3.91Å; F674-F715 HydrophobicContact CZ-CE1 3.91Å; F674-F715 AromaticContact CZ-CE2 3.73Å; F674-F715 HydrophobicContact CZ-CE2 3.73Å; F674-F715 AromaticContact CZ-CG 3.86Å; F674-F715 HydrophobicContact CZ-CG 3.86Å; F674-F715 AromaticContact CZ-CZ 3.8Å; F674-F715 HydrophobicContact CZ-CZ 3.8Å; F715-V727 HydrophobicContact CB-CB 4.5Å; F715-V727 HydrophobicContact CB-CG1 4.22Å; F715-V727 WeakPolarHBondContact CB-O 3.38Å; F715-V727 HydrophobicContact CD1-CG1 4.03Å; F715-V727 PolarHBondContact N-O 2.9Å; F715-A972 WeakPolarHBondContact O-CB 3.42Å; F715-A972 PolarHBondContact O-N 3.4Å; F715-C975 HydrophobicContact CE2-CB 4.27Å; F715-C975 HydrophobicContact CZ-CB 4.28Å; F715-C975 WeakPolarHBondContact CZ-SG 3.36Å
716	A	94.3	Very high	93.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	157.8	178.3	0	0	0	0	0	112	F643 L714 V727 Y970 I971	F643-A716 HydrophobicContact CD2-CB 3.71Å; F643-A716 HydrophobicContact CE2-CB 3.96Å; F643-A716 HydrophobicContact CG-CB 4.34Å; L714-A716 WeakPolarHBondContact CD1-O 3.45Å; A716-V727 HydrophobicContact CB-CB 4.35Å; A716-V727 HydrophobicContact CB-CG2 4.43Å; A716-V727 PolarHBondContact N-O 3.01Å; A716-V727 WeakPolarHBondContact O-CB 3.32Å; A716-V727 PolarHBondContact O-N 3.45Å; A716-Y970 CarbonylContact C-O 3.37Å; A716-Y970 VanDerWaalsContact CA-O 3.22Å; A716-Y970 WeakPolarHBondContact CA-O 3.38Å; A716-Y970 WeakPolarHBondContact CB-O 3.45Å; A716-I971 HydrophobicContact CB-CG1 4.41Å
717	C	95.3	Very high	93.7	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.02	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.2	160	-72.9	0	0	0	0	109.3	C725 F726 F968 D969 Y970	C717-C725 WeakPolarHBondContact CA-O 3.44Å; C717-F726 WeakPolarHBondContact SG-CD1 3.39Å; C717-F968 HydrophobicContact CB-CD1 4.01Å; C717-F968 HydrophobicContact CB-CE1 3.56Å; C717-F968 HydrophobicContact CB-CZ 3.91Å; C717-F968 VanDerWaalsContact CB-O 3.24Å; C717-F968 WeakPolarHBondContact CB-O 3.26Å; C717-D969 WeakPolarHBondContact O-CA 3.49Å; C717-Y970 PolarHBondContact N-O 3.28Å; C717-Y970 PolarHBondContact O-N 3.09Å
718	F	94.7	Very high	93.9	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.7	167.1	71.1	-93.9	0	0	0	111.6	F643 L645 F648 I676 T720 C725 V727 F968 D969	F643-F718 HydrophobicContact CB-CB 4.04Å; F643-F718 HydrophobicContact CB-CD1 3.95Å; F643-F718 HydrophobicContact CB-CG 4.21Å; F643-F718 WeakPolarHBondContact O-CB 3.45Å; L645-F718 HydrophobicContact CB-CE2 4.02Å; L645-F718 HydrophobicContact CB-CZ 4.22Å; L645-F718 HydrophobicContact CD1-CE2 4.42Å; L645-F718 HydrophobicContact CD1-CZ 4.02Å; F648-F718 AromaticContact CD2-CE1 3.97Å; F648-F718 HydrophobicContact CD2-CE1 3.97Å; F648-F718 HydrophobicContact CD2-CZ 4.35Å; F648-F718 HydrophobicContact CE2-CD1 4.28Å; F648-F718 AromaticContact CE2-CE1 3.7Å; F648-F718 HydrophobicContact CE2-CE1 3.7Å; F648-F718 HydrophobicContact CE2-CZ 4.49Å; I676-F718 HydrophobicContact CD1-CE1 4.5Å; F718-T720 HydrophobicContact CE2-CG2 4.4Å; F718-C725 HydrophobicContact CD1-CB 4.06Å; F718-C725 HydrophobicContact CD2-CB 4.08Å; F718-C725 HydrophobicContact CE1-CB 3.77Å; F718-C725 HydrophobicContact CE2-CB 3.77Å; F718-C725 HydrophobicContact CG-CB 4.21Å; F718-C725 HydrophobicContact CZ-CB 3.61Å; F718-C725 PolarHBondContact N-O 3.21Å; F718-C725 WeakPolarHBondContact O-CB 3.43Å; F718-C725 PolarHBondContact O-N 3.5Å; F718-V727 HydrophobicContact CD1-CG2 3.81Å; F718-V727 HydrophobicContact CE1-CG2 3.6Å; F718-F968 WeakPolarHBondContact O-CE1 3.44Å; F718-D969 VanDerWaalsContact C-OD1 3.28Å; F718-D969 WeakPolarHBondContact CA-OD1 3.29Å
719	Q	93	Very high	93.9	Very high	42 Å²	42	18.8 Å²	18.8	20%	0.196	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	161.5	178.8	67	-171.6	-60.6	0	0	113.9	V724 F965 F968 D969	Q719-V724 HydrophobicContact CB-CG1 4.2Å; Q719-F965 PolarHBondContact NE2-O 3.27Å; Q719-F965 PolarHBondContact OE1-O 2.87Å; Q719-F968 HydrophobicContact CB-CD1 4.27Å; Q719-D969 WeakPolarHBondContact CG-OD1 3.27Å; Q719-D969 PolarHBondContact N-OD1 3.02Å; Q719-D969 PolarHBondContact NE2-OD1 2.82Å; Q719-D969 PolarHBondContact NE2-OD2 3.5Å
720	T	89.9	Confident	93.9	Very high	39 Å²	39	18.9 Å²	18.9	24%	0.239	10%	0.101	C	C	.	.			trans	-123.9	-175.2	168.8	79.1	0	0	0	0	109.6	K681 F718 E722 H723	K681-T720 WeakPolarHBondContact CE-O 3.41Å; K681-T720 PolarHBondContact NZ-O 3.01Å; F718-T720 HydrophobicContact CE2-CG2 4.4Å; T720-E722 PolarHBondContact O-N 2.81Å; T720-E722 PolarHBondContact OG1-N 3.12Å; T720-E722 VanDerWaalsContact OG1-N 3.17Å; T720-H723 PolarHBondContact N-O 2.92Å; T720-H723 PolarHBondContact OG1-N 3.04Å
721	S	88.3	Confident	93.8	Very high	90 Å²	90	19 Å²	19	63%	0.629	10%	0.102	S	C	*	.	S	Bend	trans	-63	-26.4	171	49.6	0	0	0	0	113.7	Q962	S721-Q962 PolarHBondContact O-NE2 3.18Å
722	E	88.7	Confident	93.6	Very high	71 Å²	71	19.2 Å²	19.2	33%	0.332	10%	0.104	S	C	.	.	S	Bend	trans	-118.5	-22.2	-174.3	-66.2	-171.1	163.8	0	0	114	K681 T720 P951	K681-E722 PolarHBondContact N-O 3.41Å; T720-E722 PolarHBondContact O-N 2.81Å; T720-E722 PolarHBondContact OG1-N 3.12Å; T720-E722 VanDerWaalsContact OG1-N 3.17Å; E722-P951 HydrophobicContact CG-CG 4.45Å; E722-P951 WeakPolarHBondContact OE2-CD 3.48Å
723	H	91.6	Very high	93.4	Very high	10 Å²	10	19.1 Å²	19.1	5%	0.046	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	161.9	-169.3	-55.8	86.7	0	0	0	112.9	L679 T720 L948 T949	L679-H723 CarbonylContact O-C 3.42Å; L679-H723 WeakPolarHBondContact O-CA 3.36Å; L679-H723 VanDerWaalsContact O-CB 3.31Å; L679-H723 WeakPolarHBondContact O-CB 3.25Å; T720-H723 PolarHBondContact N-O 2.92Å; T720-H723 PolarHBondContact OG1-N 3.04Å; H723-L948 HydrophobicContact CB-CD1 4.43Å; H723-T949 PolarHBondContact NE2-O 2.85Å
724	V	93.5	Very high	93.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.4	163.4	-72.6	0	0	0	0	107.8	A678 L679 K681 I684 L693 Q719 F965 F968	A678-V724 WeakPolarHBondContact CA-O 3.5Å; L679-V724 HydrophobicContact CB-CG2 3.92Å; L679-V724 HydrophobicContact CD1-CG2 4.35Å; L679-V724 PolarHBondContact N-O 3.32Å; L679-V724 PolarHBondContact O-N 3.22Å; K681-V724 HydrophobicContact CD-CG1 4.42Å; K681-V724 HydrophobicContact CG-CG1 3.89Å; I684-V724 HydrophobicContact CD1-CG2 3.88Å; L693-V724 HydrophobicContact CD1-CG2 3.91Å; L693-V724 HydrophobicContact CD2-CB 4.37Å; L693-V724 HydrophobicContact CD2-CG1 4.21Å; L693-V724 HydrophobicContact CD2-CG2 3.85Å; Q719-V724 HydrophobicContact CB-CG1 4.2Å; V724-F965 HydrophobicContact CG1-CD1 3.84Å; V724-F965 HydrophobicContact CG1-CE1 4.33Å; V724-F965 HydrophobicContact CG1-CG 4.45Å; V724-F968 HydrophobicContact CB-CD1 4.05Å; V724-F968 HydrophobicContact CB-CD2 4.45Å; V724-F968 HydrophobicContact CB-CE1 3.68Å; V724-F968 HydrophobicContact CB-CE2 4.13Å; V724-F968 HydrophobicContact CB-CG 4.43Å; V724-F968 HydrophobicContact CB-CZ 3.75Å; V724-F968 HydrophobicContact CG1-CD1 3.94Å; V724-F968 HydrophobicContact CG1-CD2 4.33Å; V724-F968 HydrophobicContact CG1-CE1 4.12Å; V724-F968 HydrophobicContact CG1-CG 4.06Å; V724-F968 HydrophobicContact CG1-CZ 4.41Å; V724-F968 HydrophobicContact CG2-CZ 4.48Å
725	C	94.9	Very high	93.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	115.7	-170	-66.6	0	0	0	0	110.5	I676 C717 F718	I676-C725 HydrophobicContact CG2-CB 3.85Å; C717-C725 WeakPolarHBondContact CA-O 3.44Å; F718-C725 HydrophobicContact CD1-CB 4.06Å; F718-C725 HydrophobicContact CD2-CB 4.08Å; F718-C725 HydrophobicContact CE1-CB 3.77Å; F718-C725 HydrophobicContact CE2-CB 3.77Å; F718-C725 HydrophobicContact CG-CB 4.21Å; F718-C725 HydrophobicContact CZ-CB 3.61Å; F718-C725 PolarHBondContact N-O 3.21Å; F718-C725 WeakPolarHBondContact O-CB 3.43Å; F718-C725 PolarHBondContact O-N 3.5Å
726	F	95.1	Very high	93.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.2	164	-59.9	-90.5	0	0	0	108.7	I676 K677 L679 L693 E696 K697 F700 L714 C717 M728 F968	I676-F726 CarbonylContact C-O 3.6Å; I676-F726 VanDerWaalsContact CA-O 3.29Å; I676-F726 WeakPolarHBondContact CA-O 3.18Å; K677-F726 HydrophobicContact CB-CB 4.36Å; K677-F726 HydrophobicContact CD-CD2 4.31Å; K677-F726 PolarHBondContact N-O 3.42Å; K677-F726 PolarHBondContact O-N 3.43Å; L679-F726 HydrophobicContact CD1-CD2 3.68Å; L679-F726 HydrophobicContact CD1-CE2 3.67Å; L693-F726 HydrophobicContact CD1-CE2 3.58Å; L693-F726 HydrophobicContact CD1-CZ 3.7Å; L693-F726 HydrophobicContact CG-CZ 4.39Å; E696-F726 HydrophobicContact CB-CZ 4.21Å; E696-F726 HydrophobicContact CG-CE1 4.23Å; E696-F726 HydrophobicContact CG-CE2 4.45Å; E696-F726 HydrophobicContact CG-CZ 3.88Å; K697-F726 HydrophobicContact CB-CE1 4.23Å; F700-F726 AromaticContact CD2-CD1 3.91Å; F700-F726 HydrophobicContact CD2-CD1 3.91Å; F700-F726 HydrophobicContact CD2-CE1 4.01Å; F700-F726 AromaticContact CE2-CD1 3.94Å; F700-F726 HydrophobicContact CE2-CD1 3.94Å; F700-F726 HydrophobicContact CE2-CE1 4.24Å; F700-F726 HydrophobicContact CE2-CG 4.35Å; L714-F726 HydrophobicContact CD1-CB 3.86Å; L714-F726 HydrophobicContact CD1-CD1 3.94Å; L714-F726 HydrophobicContact CD1-CG 4.42Å; C717-F726 WeakPolarHBondContact SG-CD1 3.39Å; F726-M728 HydrophobicContact CB-CG 4.26Å; F726-F968 HydrophobicContact CD1-CZ 4.2Å; F726-F968 HydrophobicContact CD2-CZ 4.27Å; F726-F968 AromaticContact CE1-CE2 3.91Å; F726-F968 HydrophobicContact CE1-CE2 3.91Å; F726-F968 AromaticContact CE1-CZ 3.98Å; F726-F968 HydrophobicContact CE1-CZ 3.98Å; F726-F968 HydrophobicContact CE2-CE2 4.15Å; F726-F968 HydrophobicContact CE2-CZ 4.08Å; F726-F968 HydrophobicContact CG-CZ 4.34Å; F726-F968 AromaticContact CZ-CE2 3.68Å; F726-F968 HydrophobicContact CZ-CE2 3.68Å; F726-F968 AromaticContact CZ-CZ 3.93Å; F726-F968 HydrophobicContact CZ-CZ 3.93Å
727	V	95.8	Very high	92.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	108.4	173.8	-173.8	0	0	0	0	107.8	F648 F674 I676 L714 F715 A716 F718	F648-V727 HydrophobicContact CE1-CG1 3.9Å; F648-V727 HydrophobicContact CE2-CG2 4.11Å; F648-V727 HydrophobicContact CZ-CB 4.5Å; F648-V727 HydrophobicContact CZ-CG1 3.84Å; F648-V727 HydrophobicContact CZ-CG2 3.91Å; F674-V727 HydrophobicContact CB-CG1 3.67Å; F674-V727 HydrophobicContact CD1-CG1 4.01Å; F674-V727 HydrophobicContact CG-CG1 3.82Å; I676-V727 HydrophobicContact CD1-CG2 4.3Å; I676-V727 HydrophobicContact CG1-CG1 4.32Å; I676-V727 HydrophobicContact CG1-CG2 4.21Å; L714-V727 WeakPolarHBondContact CD1-O 3.17Å; F715-V727 HydrophobicContact CB-CB 4.5Å; F715-V727 HydrophobicContact CB-CG1 4.22Å; F715-V727 WeakPolarHBondContact CB-O 3.38Å; F715-V727 HydrophobicContact CD1-CG1 4.03Å; F715-V727 PolarHBondContact N-O 2.9Å; A716-V727 HydrophobicContact CB-CB 4.35Å; A716-V727 HydrophobicContact CB-CG2 4.43Å; A716-V727 PolarHBondContact N-O 3.01Å; A716-V727 WeakPolarHBondContact O-CB 3.32Å; A716-V727 PolarHBondContact O-N 3.45Å; F718-V727 HydrophobicContact CD1-CG2 3.81Å; F718-V727 HydrophobicContact CE1-CG2 3.6Å
728	M	95.4	Very high	92.2	Very high	17 Å²	17	24 Å²	24	8%	0.084	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	160.5	-173.2	-51.7	172.8	-59.6	0	0	111.1	F674 A675 K677 F700 V712 N713 L714 F726	F674-M728 CarbonylContact C-O 3.46Å; F674-M728 WeakPolarHBondContact CA-O 3.45Å; F674-M728 WeakPolarHBondContact CB-O 3.36Å; A675-M728 HydrophobicContact CB-CE 4.11Å; A675-M728 PolarHBondContact N-O 2.9Å; A675-M728 WeakPolarHBondContact O-CB 3.24Å; A675-M728 WeakPolarHBondContact O-CE 3.41Å; A675-M728 PolarHBondContact O-N 2.7Å; K677-M728 HydrophobicContact CB-CE 3.69Å; K677-M728 HydrophobicContact CB-SD 4.28Å; F700-M728 HydrophobicContact CE1-CG 4.35Å; F700-M728 HydrophobicContact CE1-SD 4.27Å; F700-M728 HydrophobicContact CZ-CG 4.15Å; F700-M728 HydrophobicContact CZ-SD 3.67Å; V712-M728 HydrophobicContact CG1-CB 3.79Å; V712-M728 HydrophobicContact CG1-CG 4.33Å; V712-M728 HydrophobicContact CG1-SD 4.22Å; N713-M728 WeakPolarHBondContact O-CA 3.22Å; L714-M728 HydrophobicContact CD1-CG 4.41Å; F726-M728 HydrophobicContact CB-CG 4.26Å
729	E	94.3	Very high	91.7	Very high	57 Å²	57	25.1 Å²	25.1	27%	0.266	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	145	171.1	69.6	-179.3	131.7	0	0	112.2	V712 N713 A731 K788	V712-E729 WeakPolarHBondContact CA-OE1 3.13Å; V712-E729 HydrophobicContact CG1-CG 4.15Å; N713-E729 WeakPolarHBondContact CB-OE1 3.46Å; N713-E729 PolarHBondContact N-OE1 3.2Å; N713-E729 PolarHBondContact ND2-OE1 3.41Å; N713-E729 PolarHBondContact O-N 3.33Å; E729-A731 PolarHBondContact O-N 2.89Å; E729-K788 WeakPolarHBondContact OE1-CE 3.46Å; E729-K788 IonicContact OE1-NZ 2.96Å; E729-K788 PolarHBondContact OE1-NZ 3.33Å; E729-K788 WeakPolarHBondContact OE2-CE 3.44Å; E729-K788 IonicContact OE2-NZ 3.58Å; E729-K788 PolarHBondContact OE2-NZ 2.96Å
730	Y	95	Very high	91.1	Very high	32 Å²	32	23.8 Å²	23.8	13%	0.125	13%	0.127	C	C	.	.			trans	-90.1	106.7	-179.8	178.7	-137.4	0	0	0	112.8	L654 L664 M673 A732 D933 F937	L654-Y730 HydrophobicContact CD1-CD2 3.95Å; L654-Y730 HydrophobicContact CD1-CE2 3.75Å; L654-Y730 HydrophobicContact CD2-CE2 3.92Å; L654-Y730 HydrophobicContact CG-CE2 4.49Å; L664-Y730 HydrophobicContact CD1-CD1 3.53Å; L664-Y730 HydrophobicContact CD1-CD2 3.74Å; L664-Y730 HydrophobicContact CD1-CE1 3.55Å; L664-Y730 HydrophobicContact CD1-CE2 3.78Å; L664-Y730 HydrophobicContact CD1-CG 3.63Å; L664-Y730 HydrophobicContact CD2-CE1 4.13Å; M673-Y730 HydrophobicContact CB-CD1 3.95Å; M673-Y730 VanDerWaalsContact O-CB 3.24Å; M673-Y730 WeakPolarHBondContact O-CB 3.31Å; Y730-A732 HydrophobicContact CD1-CB 3.91Å; Y730-A732 HydrophobicContact CE1-CB 3.47Å; Y730-A732 VanDerWaalsContact CE1-CB 3.47Å; Y730-A732 HydrophobicContact CE2-CB 4.36Å; Y730-A732 PolarHBondContact O-N 3.41Å; Y730-A732 VanDerWaalsContact O-N 3.14Å; Y730-D933 PolarHBondContact OH-O 3.42Å; Y730-F937 AromaticContact CE2-CE2 3.86Å; Y730-F937 HydrophobicContact CE2-CE2 3.86Å; Y730-F937 AromaticContact CE2-CZ 3.7Å; Y730-F937 HydrophobicContact CE2-CZ 3.7Å; Y730-F937 VanDerWaalsContact OH-CE2 3.31Å; Y730-F937 WeakPolarHBondContact OH-CE2 3.44Å
731	A	95.1	Very high	89.9	Confident	3 Å²	3	26.6 Å²	26.6	3%	0.025	14%	0.137	C	C	.	.			trans	-82.4	81.5	171.7	0	0	0	0	0	111.2	E729 G733 G734 L780 L781 F937	E729-A731 PolarHBondContact O-N 2.89Å; A731-G733 PolarHBondContact O-N 3.08Å; A731-G733 VanDerWaalsContact O-N 3.07Å; A731-G734 PolarHBondContact O-N 3.43Å; A731-L780 HydrophobicContact CB-CB 3.56Å; A731-L780 HydrophobicContact CB-CD1 3.9Å; A731-L780 HydrophobicContact CB-CG 4.39Å; A731-L781 CarbonylContact C-O 3.57Å; A731-F937 WeakPolarHBondContact O-CZ 3.39Å
732	A	93.6	Very high	88.5	Confident	5 Å²	5	26.8 Å²	26.8	4%	0.041	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.6	-172.6	0	0	0	0	0	116.2	Y730 G734 T783 I928 N936	Y730-A732 HydrophobicContact CD1-CB 3.91Å; Y730-A732 HydrophobicContact CE1-CB 3.47Å; Y730-A732 VanDerWaalsContact CE1-CB 3.47Å; Y730-A732 HydrophobicContact CE2-CB 4.36Å; Y730-A732 PolarHBondContact O-N 3.41Å; Y730-A732 VanDerWaalsContact O-N 3.14Å; A732-G734 VanDerWaalsContact C-N 3.31Å; A732-T783 HydrophobicContact CB-CG2 4.1Å; A732-I928 HydrophobicContact CB-CD1 3.83Å; A732-N936 PolarHBondContact O-ND2 3.29Å
733	G	92.2	Very high	87.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-6	176.6	0	0	0	0	0	114.8	A731 H739 L781 N936	A731-G733 PolarHBondContact O-N 3.08Å; A731-G733 VanDerWaalsContact O-N 3.07Å; G733-H739 PolarHBondContact O-NE2 3.44Å; G733-L781 WeakPolarHBondContact CA-O 3.36Å; G733-L781 PolarHBondContact N-O 3.46Å; G733-N936 WeakPolarHBondContact O-CB 2.96Å
734	G	92	Very high	87.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.			trans	75.5	179.1	-177.8	0	0	0	0	0	113.5	A731 A732 L780 L781 N936	A731-G734 PolarHBondContact O-N 3.43Å; A732-G734 VanDerWaalsContact C-N 3.31Å; G734-L780 CarbonylContact O-C 3.21Å; G734-L780 WeakPolarHBondContact O-CA 3.27Å; G734-L781 PolarHBondContact O-N 3.16Å; G734-N936 WeakPolarHBondContact CA-O 3.48Å
735	D	91.1	Very high	87.1	Confident	31 Å²	31	31.7 Å²	31.7	17%	0.166	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-80.8	154.1	178.2	60.1	81.6	0	0	0	113.4	M737 M738 H739 L779 L780	D735-M737 PolarHBondContact O-N 3.23Å; D735-M737 WeakPolarHBondContact OD1-CA 3.42Å; D735-M737 VanDerWaalsContact OD1-CB 3.25Å; D735-M737 WeakPolarHBondContact OD1-CB 3.42Å; D735-M737 PolarHBondContact OD1-N 2.99Å; D735-M737 VanDerWaalsContact OD1-N 3.12Å; D735-M738 PolarHBondContact O-N 3.23Å; D735-M738 PolarHBondContact OD1-N 3.01Å; D735-H739 PolarHBondContact O-CD2 3.36Å; D735-H739 VanDerWaalsContact O-CD2 3.24Å; D735-L779 CarbonylContact C-O 3.43Å; D735-L779 WeakPolarHBondContact CA-O 3.31Å; D735-L780 HydrophobicContact CB-CD2 3.78Å
736	L	90.8	Very high	87.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-19.9	178.4	-72.9	-176.3	0	0	0	113.3	H739 I740 F745 Y753 L776 L779 L781 V787	L736-H739 PolarHBondContact O-N 3.4Å; L736-I740 PolarHBondContact O-N 2.93Å; L736-I740 VanDerWaalsContact O-N 3.12Å; L736-F745 HydrophobicContact CB-CE2 4.44Å; L736-F745 HydrophobicContact CD1-CE2 4.5Å; L736-F745 HydrophobicContact CD2-CE2 4.1Å; L736-F745 HydrophobicContact CD2-CZ 4.19Å; L736-Y753 HydrophobicContact CD1-CD2 4.03Å; L736-Y753 HydrophobicContact CD1-CG 4.27Å; L736-Y753 HydrophobicContact CD2-CD2 3.87Å; L736-Y753 HydrophobicContact CD2-CE2 3.56Å; L736-Y753 HydrophobicContact CD2-CG 4.5Å; L736-L776 HydrophobicContact CB-CB 4.46Å; L736-L776 HydrophobicContact CB-CD2 3.81Å; L736-L776 HydrophobicContact CD1-CD2 4.41Å; L736-L776 PolarHBondContact N-O 3.28Å; L736-L779 HydrophobicContact CB-CB 4.37Å; L736-L779 HydrophobicContact CD1-CB 3.77Å; L736-L779 HydrophobicContact CD1-CD1 4Å; L736-L779 HydrophobicContact CG-CB 4.03Å; L736-L779 PolarHBondContact N-O 3.18Å; L736-L781 HydrophobicContact CD2-CD1 4.03Å; L736-L781 HydrophobicContact CD2-CD2 3.9Å; L736-L781 HydrophobicContact CD2-CG 3.83Å; L736-V787 HydrophobicContact CD1-CG1 4.39Å; L736-V787 HydrophobicContact CD1-CG2 3.77Å; L736-V787 HydrophobicContact CD2-CG2 4.16Å; L736-V787 HydrophobicContact CG-CG2 4.24Å
737	M	87.5	Confident	87.1	Confident	31 Å²	31	37.9 Å²	37.9	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-45.2	176.9	-179.1	65.2	86.3	0	0	110.1	L484 D735 H739 I740 H741 L776 D777	L484-M737 HydrophobicContact CD1-SD 4.32Å; D735-M737 PolarHBondContact O-N 3.23Å; D735-M737 WeakPolarHBondContact OD1-CA 3.42Å; D735-M737 VanDerWaalsContact OD1-CB 3.25Å; D735-M737 WeakPolarHBondContact OD1-CB 3.42Å; D735-M737 PolarHBondContact OD1-N 2.99Å; D735-M737 VanDerWaalsContact OD1-N 3.12Å; M737-H739 VanDerWaalsContact C-N 3.26Å; M737-H739 PolarHBondContact O-N 3.48Å; M737-I740 WeakPolarHBondContact O-CG2 3.45Å; M737-I740 PolarHBondContact O-N 2.98Å; M737-I740 HydrophobicContact SD-CG2 4.19Å; M737-H741 PolarHBondContact O-N 2.96Å; M737-H741 PolarHBondContact O-ND1 2.91Å; M737-L776 HydrophobicContact CB-CB 3.83Å; M737-L776 HydrophobicContact CE-CB 4.08Å; M737-L776 HydrophobicContact CE-CD1 4.21Å; M737-L776 HydrophobicContact SD-CB 4.42Å; M737-L776 HydrophobicContact SD-CD1 4.18Å; M737-D777 WeakPolarHBondContact CE-OD2 3.25Å
738	M	83.8	Confident	87.1	Confident	74 Å²	74	42.4 Å²	42.4	37%	0.365	24%	0.241	S	C	.	.	H	α-helix	trans	-55.5	-40.4	171.1	-78.8	-72.2	-72.2	0	0	112.2	D735 I740	D735-M738 PolarHBondContact O-N 3.23Å; D735-M738 PolarHBondContact OD1-N 3.01Å; M738-I740 PolarHBondContact O-N 3.44Å
739	H	84.2	Confident	87.1	Confident	25 Å²	25	43.2 Å²	43.2	12%	0.116	24%	0.244	C	C	.	.	H	α-helix	trans	-72.1	-26.7	-178.8	-74	-72	0	0	0	114.8	G733 D735 L736 M737 F745 F924	G733-H739 PolarHBondContact O-NE2 3.44Å; D735-H739 PolarHBondContact O-CD2 3.36Å; D735-H739 VanDerWaalsContact O-CD2 3.24Å; L736-H739 PolarHBondContact O-N 3.4Å; M737-H739 VanDerWaalsContact C-N 3.26Å; M737-H739 PolarHBondContact O-N 3.48Å; H739-F745 HydrophobicContact CB-CE1 4.05Å; H739-F745 HydrophobicContact CB-CZ 3.91Å; H739-F924 AromaticContact CE1-CE1 3.56Å; H739-F924 AromaticContact CE1-CZ 3.61Å; H739-F924 AromaticContact ND1-CE1 3.53Å; H739-F924 AromaticContact ND1-CZ 3.48Å; H739-F924 WeakPolarHBondContact ND1-CZ 3.45Å
740	I	80.1	Confident	87.3	Confident	14 Å²	14	40.5 Å²	40.5	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-85.2	-16.9	178.2	-151.1	173	0	0	0	113.4	L736 M737 M738 A742 D743 F745 L776 E840	L736-I740 PolarHBondContact O-N 2.93Å; L736-I740 VanDerWaalsContact O-N 3.12Å; M737-I740 WeakPolarHBondContact O-CG2 3.45Å; M737-I740 PolarHBondContact O-N 2.98Å; M737-I740 HydrophobicContact SD-CG2 4.19Å; M738-I740 PolarHBondContact O-N 3.44Å; I740-A742 PolarHBondContact O-N 2.91Å; I740-D743 CarbonylContact O-C 3.57Å; I740-D743 PolarHBondContact O-N 2.89Å; I740-F745 HydrophobicContact CB-CE1 3.88Å; I740-F745 HydrophobicContact CB-CZ 3.97Å; I740-F745 HydrophobicContact CG1-CD1 4.19Å; I740-F745 HydrophobicContact CG1-CE1 4.03Å; I740-F745 HydrophobicContact CG1-CZ 4.38Å; I740-L776 HydrophobicContact CD1-CD1 4.34Å; I740-L776 HydrophobicContact CG2-CD1 3.98Å; I740-E840 WeakPolarHBondContact CD1-O 3.48Å
741	H	65.4	Low	87.4	Confident	98 Å²	98	40.1 Å²	40.1	45%	0.454	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.1	176.3	-84.1	76.2	0	0	0	113.5	L484 M737	L484-H741 VanDerWaalsContact CB-NE2 3.26Å; L484-H741 WeakPolarHBondContact CB-NE2 3.48Å; L484-H741 PolarHBondContact O-NE2 3.36Å; M737-H741 PolarHBondContact O-N 2.96Å; M737-H741 PolarHBondContact O-ND1 2.91Å
742	A	58.1	Low	87.6	Confident	95 Å²	95	40.4 Å²	40.4	79%	0.785	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-50.9	176	0	0	0	0	0	112.7	I740	I740-A742 PolarHBondContact O-N 2.91Å
743	D	67	Low	87.8	Confident	119 Å²	119	40.2 Å²	40.2	64%	0.636	23%	0.231	S	C	*	.	S	Bend	trans	-163.4	163.2	173.6	-162.6	8.3	0	0	0	110	I740	I740-D743 CarbonylContact O-C 3.57Å; I740-D743 PolarHBondContact O-N 2.89Å
744	V	85.8	Confident	88.1	Confident	60 Å²	60	40.2 Å²	40.2	36%	0.364	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-64.8	152.3	176.4	-58.6	0	0	0	0	111.7
745	F	91.5	Very high	88.4	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.018	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-79.2	129.8	179.5	-60.1	-14.7	0	0	0	110.8	L736 H739 I740 R749 A750 Y753 M841	L736-F745 HydrophobicContact CB-CE2 4.44Å; L736-F745 HydrophobicContact CD1-CE2 4.5Å; L736-F745 HydrophobicContact CD2-CE2 4.1Å; L736-F745 HydrophobicContact CD2-CZ 4.19Å; H739-F745 HydrophobicContact CB-CE1 4.05Å; H739-F745 HydrophobicContact CB-CZ 3.91Å; I740-F745 HydrophobicContact CB-CE1 3.88Å; I740-F745 HydrophobicContact CB-CZ 3.97Å; I740-F745 HydrophobicContact CG1-CD1 4.19Å; I740-F745 HydrophobicContact CG1-CE1 4.03Å; I740-F745 HydrophobicContact CG1-CZ 4.38Å; F745-R749 HydrophobicContact CB-CB 4.2Å; F745-R749 HydrophobicContact CB-CG 4.11Å; F745-R749 HydrophobicContact CD2-CG 4.43Å; F745-R749 HydrophobicContact CG-CG 4.16Å; F745-A750 HydrophobicContact CB-CB 4.45Å; F745-Y753 AromaticContact CD2-CD2 3.73Å; F745-Y753 HydrophobicContact CD2-CD2 3.73Å; F745-Y753 AromaticContact CD2-CE2 3.89Å; F745-Y753 HydrophobicContact CD2-CE2 3.89Å; F745-Y753 AromaticContact CE2-CD2 3.67Å; F745-Y753 HydrophobicContact CE2-CD2 3.67Å; F745-Y753 AromaticContact CE2-CE2 3.65Å; F745-Y753 HydrophobicContact CE2-CE2 3.65Å; F745-Y753 HydrophobicContact CZ-CE2 4.17Å; F745-M841 WeakPolarHBondContact CA-O 3.34Å; F745-M841 HydrophobicContact CB-CB 4.45Å; F745-M841 WeakPolarHBondContact CB-O 3.33Å; F745-M841 HydrophobicContact CD2-CB 3.92Å; F745-M841 HydrophobicContact CD2-CG 3.68Å; F745-M841 HydrophobicContact CD2-SD 3.87Å; F745-M841 HydrophobicContact CE2-CG 4.03Å; F745-M841 HydrophobicContact CE2-SD 4.18Å; F745-M841 PolarHBondContact N-O 2.85Å
746	S	94.8	Very high	88.8	Confident	75 Å²	75	38.8 Å²	38.8	52%	0.524	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-58.7	149.9	170.4	64	0	0	0	0	111	P748 R749 A750	S746-P748 VanDerWaalsContact C-CD 3.48Å; S746-P748 VanDerWaalsContact C-N 3.32Å; S746-R749 WeakPolarHBondContact O-CA 3.47Å; S746-R749 WeakPolarHBondContact O-CB 3.18Å; S746-R749 PolarHBondContact O-N 3.01Å; S746-A750 PolarHBondContact O-N 3.45Å
747	E	95.4	Very high	89.1	Confident	56 Å²	56	38.8 Å²	38.8	26%	0.262	22%	0.223	S	C	.	.	H	α-helix	trans	-53	-40.8	-175.2	-167.4	169.5	133.3	0	0	113.9	R749 A750 V751 L842 S872 F906	E747-R749 VanDerWaalsContact C-N 3.33Å; E747-R749 PolarHBondContact O-N 3.13Å; E747-A750 PolarHBondContact O-N 2.88Å; E747-V751 HydrophobicContact CG-CG2 4.25Å; E747-V751 WeakPolarHBondContact O-CB 3.37Å; E747-V751 WeakPolarHBondContact O-CG2 3.32Å; E747-V751 PolarHBondContact O-N 3.45Å; E747-L842 HydrophobicContact CB-CD2 4.09Å; E747-L842 HydrophobicContact CG-CD2 4.23Å; E747-S872 VanDerWaalsContact OE1-CB 3.28Å; E747-S872 WeakPolarHBondContact OE1-CB 3.37Å; E747-S872 PolarHBondContact OE1-OG 3.33Å; E747-S872 WeakPolarHBondContact OE2-CB 3.36Å; E747-S872 PolarHBondContact OE2-N 2.85Å; E747-S872 PolarHBondContact OE2-OG 3.39Å; E747-F906 HydrophobicContact CG-CE2 4.04Å
748	P	96.2	Very high	89.7	Confident	94 Å²	94	37.3 Å²	37.3	61%	0.61	22%	0.216	S	C	*	.	H	α-helix	trans	-61.8	-34.2	172.9	-23.8	35.6	0	0	0	114.5	S746 F752	S746-P748 VanDerWaalsContact C-CD 3.48Å; S746-P748 VanDerWaalsContact C-N 3.32Å; P748-F752 WeakPolarHBondContact O-CB 3.33Å; P748-F752 PolarHBondContact O-N 3.26Å
749	R	95.9	Very high	90.4	Very high	35 Å²	35	34.2 Å²	34.2	13%	0.132	20%	0.201	C	C	.	.	H	α-helix	trans	-71	-45.4	176.4	-175.9	175.4	-170.4	-162.8	-1	110.8	F745 S746 E747 F752 Y753 P923	F745-R749 HydrophobicContact CB-CB 4.2Å; F745-R749 HydrophobicContact CB-CG 4.11Å; F745-R749 HydrophobicContact CD2-CG 4.43Å; F745-R749 HydrophobicContact CG-CG 4.16Å; S746-R749 WeakPolarHBondContact O-CA 3.47Å; S746-R749 WeakPolarHBondContact O-CB 3.18Å; S746-R749 PolarHBondContact O-N 3.01Å; E747-R749 VanDerWaalsContact C-N 3.33Å; E747-R749 PolarHBondContact O-N 3.13Å; R749-F752 PolarHBondContact O-N 2.93Å; R749-Y753 HydrophobicContact CG-CD2 3.93Å; R749-Y753 HydrophobicContact CG-CE2 3.45Å; R749-Y753 VanDerWaalsContact CG-CE2 3.45Å; R749-Y753 PolarHBondContact NE-OH 2.72Å; R749-Y753 PolarHBondContact NH2-OH 2.64Å; R749-Y753 PolarHBondContact O-N 2.6Å; R749-P923 HydrophobicContact CB-CB 4.4Å; R749-P923 HydrophobicContact CB-CG 4.18Å; R749-P923 HydrophobicContact CG-CG 4.02Å
750	A	97.2	Very high	91	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-41.2	176	0	0	0	0	0	112.8	F745 S746 E747 A754 M841 L842	F745-A750 HydrophobicContact CB-CB 4.45Å; S746-A750 PolarHBondContact O-N 3.45Å; E747-A750 PolarHBondContact O-N 2.88Å; A750-A754 WeakPolarHBondContact O-CB 3.38Å; A750-A754 PolarHBondContact O-N 3.05Å; A750-M841 HydrophobicContact CB-CB 3.97Å; A750-M841 HydrophobicContact CB-CE 4.23Å; A750-M841 WeakPolarHBondContact O-CE 3.38Å; A750-L842 HydrophobicContact CB-CD2 3.52Å; A750-L842 HydrophobicContact CB-CG 3.93Å
751	V	98.3	Very high	91.9	Very high	23 Å²	23	32.4 Å²	32.4	14%	0.139	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-46.5	174.4	167.5	0	0	0	0	111.1	E747 A755 F906 F907	E747-V751 HydrophobicContact CG-CG2 4.25Å; E747-V751 WeakPolarHBondContact O-CB 3.37Å; E747-V751 WeakPolarHBondContact O-CG2 3.32Å; E747-V751 PolarHBondContact O-N 3.45Å; V751-A755 WeakPolarHBondContact O-CB 3.3Å; V751-A755 PolarHBondContact O-N 3.31Å; V751-F906 HydrophobicContact CB-CE1 4.32Å; V751-F906 HydrophobicContact CB-CZ 4.34Å; V751-F906 HydrophobicContact CG2-CD1 4.01Å; V751-F906 HydrophobicContact CG2-CD2 3.89Å; V751-F906 HydrophobicContact CG2-CE1 3.65Å; V751-F906 HydrophobicContact CG2-CE2 3.51Å; V751-F906 HydrophobicContact CG2-CG 4.14Å; V751-F906 HydrophobicContact CG2-CZ 3.39Å; V751-F907 HydrophobicContact CG1-CD1 3.99Å; V751-F907 HydrophobicContact CG1-CE1 4.48Å
752	F	98.3	Very high	93.5	Very high	10 Å²	10	29.1 Å²	29.1	4%	0.044	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-48.7	180	-179.9	-94	0	0	0	112.1	P748 R749 A755 C756 Y786 L915 V920 P922 P923	P748-F752 WeakPolarHBondContact O-CB 3.33Å; P748-F752 PolarHBondContact O-N 3.26Å; R749-F752 PolarHBondContact O-N 2.93Å; F752-A755 WeakPolarHBondContact O-CB 3.33Å; F752-A755 PolarHBondContact O-N 3.08Å; F752-C756 PolarHBondContact O-N 2.93Å; F752-C756 VanDerWaalsContact O-N 3.16Å; F752-C756 PolarHBondContact O-SG 2.83Å; F752-C756 VanDerWaalsContact O-SG 3.37Å; F752-Y786 HydrophobicContact CE1-CD1 4.21Å; F752-Y786 HydrophobicContact CE2-CE1 4.4Å; F752-Y786 AromaticContact CZ-CD1 3.58Å; F752-Y786 HydrophobicContact CZ-CD1 3.58Å; F752-Y786 AromaticContact CZ-CE1 3.7Å; F752-Y786 HydrophobicContact CZ-CE1 3.7Å; F752-L915 HydrophobicContact CD2-CD1 4.2Å; F752-L915 HydrophobicContact CE2-CD1 3.54Å; F752-L915 HydrophobicContact CZ-CD1 3.97Å; F752-V920 HydrophobicContact CD2-CG1 4.12Å; F752-V920 HydrophobicContact CE2-CB 4.35Å; F752-V920 HydrophobicContact CE2-CG1 3.86Å; F752-V920 WeakPolarHBondContact CE2-O 3.09Å; F752-P922 HydrophobicContact CE1-CB 3.98Å; F752-P922 HydrophobicContact CE1-CG 4.22Å; F752-P922 HydrophobicContact CZ-CB 3.99Å; F752-P922 HydrophobicContact CZ-CG 3.86Å; F752-P923 HydrophobicContact CB-CG 4.07Å; F752-P923 HydrophobicContact CD1-CG 3.85Å; F752-P923 HydrophobicContact CG-CG 4.06Å
753	Y	98.3	Very high	95.4	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-42.3	178.2	-65.6	-23	0	0	0	112.6	L736 F745 R749 A755 C756 V757 L781 V787 M841	L736-Y753 HydrophobicContact CD1-CD2 4.03Å; L736-Y753 HydrophobicContact CD1-CG 4.27Å; L736-Y753 HydrophobicContact CD2-CD2 3.87Å; L736-Y753 HydrophobicContact CD2-CE2 3.56Å; L736-Y753 HydrophobicContact CD2-CG 4.5Å; F745-Y753 AromaticContact CD2-CD2 3.73Å; F745-Y753 HydrophobicContact CD2-CD2 3.73Å; F745-Y753 AromaticContact CD2-CE2 3.89Å; F745-Y753 HydrophobicContact CD2-CE2 3.89Å; F745-Y753 AromaticContact CE2-CD2 3.67Å; F745-Y753 HydrophobicContact CE2-CD2 3.67Å; F745-Y753 AromaticContact CE2-CE2 3.65Å; F745-Y753 HydrophobicContact CE2-CE2 3.65Å; F745-Y753 HydrophobicContact CZ-CE2 4.17Å; R749-Y753 HydrophobicContact CG-CD2 3.93Å; R749-Y753 HydrophobicContact CG-CE2 3.45Å; R749-Y753 VanDerWaalsContact CG-CE2 3.45Å; R749-Y753 PolarHBondContact NE-OH 2.72Å; R749-Y753 PolarHBondContact NH2-OH 2.64Å; R749-Y753 PolarHBondContact O-N 2.6Å; Y753-A755 PolarHBondContact O-N 2.68Å; Y753-C756 PolarHBondContact O-N 2.83Å; Y753-V757 WeakPolarHBondContact O-CG2 3.49Å; Y753-V757 PolarHBondContact O-N 3.08Å; Y753-V757 VanDerWaalsContact O-N 3.15Å; Y753-L781 HydrophobicContact CE1-CD2 3.8Å; Y753-V787 HydrophobicContact CD1-CB 4.49Å; Y753-V787 HydrophobicContact CD1-CG2 3.31Å; Y753-V787 HydrophobicContact CD2-CG2 4.49Å; Y753-V787 HydrophobicContact CE1-CG2 3.83Å; Y753-V787 HydrophobicContact CG-CG2 3.71Å; Y753-M841 HydrophobicContact CD2-SD 4.18Å
754	A	98.4	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-33.8	173.9	0	0	0	0	0	112.1	A750 V757 V758 L834 I838 M841 F906 F907	A750-A754 WeakPolarHBondContact O-CB 3.38Å; A750-A754 PolarHBondContact O-N 3.05Å; A754-V757 PolarHBondContact O-N 2.85Å; A754-V758 VanDerWaalsContact O-CG2 3.23Å; A754-V758 WeakPolarHBondContact O-CG2 3.49Å; A754-V758 PolarHBondContact O-N 2.79Å; A754-L834 HydrophobicContact CB-CD1 4.35Å; A754-I838 HydrophobicContact CB-CD1 3.98Å; A754-I838 HydrophobicContact CB-CG1 3.82Å; A754-M841 HydrophobicContact CB-CE 4.03Å; A754-F906 HydrophobicContact CB-CE1 4.36Å; A754-F907 HydrophobicContact CB-CE1 4.08Å; A754-F907 HydrophobicContact CB-CZ 4.14Å
755	A	98.6	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.3	-39.9	178.4	0	0	0	0	0	113.6	V751 F752 Y753 V757 V758 L759 F907 L910 W912 L915	V751-A755 WeakPolarHBondContact O-CB 3.3Å; V751-A755 PolarHBondContact O-N 3.31Å; F752-A755 WeakPolarHBondContact O-CB 3.33Å; F752-A755 PolarHBondContact O-N 3.08Å; Y753-A755 PolarHBondContact O-N 2.68Å; A755-V757 VanDerWaalsContact C-N 3.26Å; A755-V757 PolarHBondContact O-N 3.39Å; A755-V758 PolarHBondContact O-N 2.94Å; A755-L759 PolarHBondContact O-N 2.81Å; A755-F907 HydrophobicContact CB-CD1 4.18Å; A755-F907 HydrophobicContact CB-CE1 3.96Å; A755-L910 HydrophobicContact CB-CD2 3.28Å; A755-W912 HydrophobicContact CB-CH2 3.8Å; A755-W912 HydrophobicContact CB-CZ3 3.68Å; A755-L915 HydrophobicContact CB-CD2 3.53Å
756	C	98.5	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.5	-44.4	170.5	-61.9	0	0	0	0	110.7	F710 F752 Y753 L759 G760 V787	F710-C756 HydrophobicContact CB-CB 4.32Å; F710-C756 WeakPolarHBondContact CB-O 3.22Å; F710-C756 HydrophobicContact CD1-CB 3.87Å; F710-C756 HydrophobicContact CD2-CB 4.38Å; F710-C756 HydrophobicContact CE1-CB 4.3Å; F710-C756 HydrophobicContact CG-CB 3.92Å; F752-C756 PolarHBondContact O-N 2.93Å; F752-C756 VanDerWaalsContact O-N 3.16Å; F752-C756 PolarHBondContact O-SG 2.83Å; F752-C756 VanDerWaalsContact O-SG 3.37Å; Y753-C756 PolarHBondContact O-N 2.83Å; C756-L759 PolarHBondContact O-N 3.36Å; C756-G760 PolarHBondContact O-N 3.11Å; C756-V787 HydrophobicContact CB-CB 3.95Å
757	V	98.6	Very high	97.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-42.7	175.8	173.6	0	0	0	0	112.2	Y753 A754 A755 L759 G760 L761 L774 L779 V787 I789 L834 L837	Y753-V757 WeakPolarHBondContact O-CG2 3.49Å; Y753-V757 PolarHBondContact O-N 3.08Å; Y753-V757 VanDerWaalsContact O-N 3.15Å; A754-V757 PolarHBondContact O-N 2.85Å; A755-V757 VanDerWaalsContact C-N 3.26Å; A755-V757 PolarHBondContact O-N 3.39Å; V757-L759 VanDerWaalsContact C-N 3.29Å; V757-L759 PolarHBondContact O-N 2.9Å; V757-G760 PolarHBondContact O-N 3.44Å; V757-L761 HydrophobicContact CG1-CD1 3.92Å; V757-L761 HydrophobicContact CG1-CG 4.19Å; V757-L761 WeakPolarHBondContact O-CB 3.49Å; V757-L761 WeakPolarHBondContact O-CG 3.27Å; V757-L761 PolarHBondContact O-N 2.9Å; V757-L774 HydrophobicContact CG1-CD1 3.73Å; V757-L774 HydrophobicContact CG1-CD2 3.93Å; V757-L774 HydrophobicContact CG1-CG 4.48Å; V757-L779 HydrophobicContact CG2-CD1 3.83Å; V757-L779 HydrophobicContact CG2-CD2 3.71Å; V757-L779 HydrophobicContact CG2-CG 4.44Å; V757-V787 HydrophobicContact CG2-CG1 4.12Å; V757-I789 HydrophobicContact CG1-CD1 4.32Å; V757-L834 HydrophobicContact CG1-CD1 4.06Å; V757-L837 HydrophobicContact CG1-CD2 4.29Å; V757-L837 HydrophobicContact CG2-CD2 4.19Å
758	V	98.8	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-39.5	176	164.9	0	0	0	0	111.7	A754 A755 Q762 W831 L834 A898 V901 K902 F907 W912	A754-V758 VanDerWaalsContact O-CG2 3.23Å; A754-V758 WeakPolarHBondContact O-CG2 3.49Å; A754-V758 PolarHBondContact O-N 2.79Å; A755-V758 PolarHBondContact O-N 2.94Å; V758-Q762 VanDerWaalsContact O-CB 3.3Å; V758-Q762 WeakPolarHBondContact O-CB 3.46Å; V758-Q762 PolarHBondContact O-N 3.47Å; V758-W831 HydrophobicContact CG2-CZ3 4.19Å; V758-L834 HydrophobicContact CG2-CD2 3.52Å; V758-A898 HydrophobicContact CG1-CB 4.46Å; V758-V901 HydrophobicContact CG1-CG1 4.43Å; V758-V901 HydrophobicContact CG2-CG1 3.8Å; V758-K902 HydrophobicContact CG1-CD 4.23Å; V758-K902 HydrophobicContact CG1-CG 3.64Å; V758-F907 HydrophobicContact CG2-CE2 4.47Å; V758-F907 HydrophobicContact CG2-CZ 4.08Å; V758-W912 HydrophobicContact CB-CH2 4.06Å; V758-W912 HydrophobicContact CB-CZ3 4.01Å; V758-W912 HydrophobicContact CG1-CH2 3.76Å; V758-W912 HydrophobicContact CG1-CZ3 3.75Å
759	L	98.6	Very high	98	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.047	10%	0.1	C	C	.	.	H	α-helix	trans	-71.3	-39.7	176	-71.1	171.8	0	0	0	112.1	F710 A755 C756 V757 Q762 F763 W912 L915 L916	F710-L759 HydrophobicContact CD2-CB 3.88Å; F710-L759 HydrophobicContact CD2-CD1 4.06Å; F710-L759 HydrophobicContact CE2-CB 4.33Å; F710-L759 HydrophobicContact CE2-CD1 3.63Å; A755-L759 PolarHBondContact O-N 2.81Å; C756-L759 PolarHBondContact O-N 3.36Å; V757-L759 VanDerWaalsContact C-N 3.29Å; V757-L759 PolarHBondContact O-N 2.9Å; L759-Q762 PolarHBondContact O-N 3.49Å; L759-F763 PolarHBondContact O-N 3.41Å; L759-W912 HydrophobicContact CD1-CE3 4.08Å; L759-W912 HydrophobicContact CD2-CE3 3.96Å; L759-W912 HydrophobicContact CD2-CZ3 4.48Å; L759-W912 HydrophobicContact CG-CE3 3.87Å; L759-W912 HydrophobicContact CG-CZ3 4.08Å; L759-L915 HydrophobicContact CD1-CB 4.39Å; L759-L915 HydrophobicContact CD1-CD2 3.9Å; L759-L915 HydrophobicContact CD1-CG 4.06Å; L759-L916 HydrophobicContact CD1-CB 4.18Å; L759-L916 HydrophobicContact CD1-CD1 4.43Å
760	G	98.1	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.1	-45.9	172.8	0	0	0	0	0	113	C756 V757 F763 L764	C756-G760 PolarHBondContact O-N 3.11Å; V757-G760 PolarHBondContact O-N 3.44Å; G760-F763 PolarHBondContact O-N 3.44Å; G760-L764 WeakPolarHBondContact O-CG 3.24Å; G760-L764 PolarHBondContact O-N 2.9Å
761	L	98.5	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.2	-38.7	175.1	-69	176.9	0	0	0	112.1	V757 F763 L764 H765 Y771 L774 I789 D830 W831	V757-L761 HydrophobicContact CG1-CD1 3.92Å; V757-L761 HydrophobicContact CG1-CG 4.19Å; V757-L761 WeakPolarHBondContact O-CB 3.49Å; V757-L761 WeakPolarHBondContact O-CG 3.27Å; V757-L761 PolarHBondContact O-N 2.9Å; L761-F763 PolarHBondContact O-N 3.32Å; L761-L764 PolarHBondContact O-N 3.19Å; L761-H765 VanDerWaalsContact O-CB 3.32Å; L761-H765 WeakPolarHBondContact O-CB 3.5Å; L761-H765 VanDerWaalsContact O-CG 3.29Å; L761-H765 PolarHBondContact O-N 2.86Å; L761-Y771 HydrophobicContact CD2-CG 4.47Å; L761-L774 HydrophobicContact CD1-CD2 4.33Å; L761-I789 HydrophobicContact CG-CD1 4.44Å; L761-D830 HydrophobicContact CD1-CB 4.32Å; L761-D830 HydrophobicContact CD2-CB 4.05Å; L761-W831 HydrophobicContact CB-CH2 3.98Å; L761-W831 HydrophobicContact CB-CZ3 4.35Å; L761-W831 HydrophobicContact CD1-CE3 4.31Å; L761-W831 HydrophobicContact CD1-CH2 4.39Å; L761-W831 HydrophobicContact CD1-CZ3 3.94Å
762	Q	98.3	Very high	98	Very high	30 Å²	30	19.7 Å²	19.7	14%	0.14	9%	0.092	C	C	.	.	H	α-helix	trans	-56.1	-51.1	173.6	179.8	163.8	11.9	0	0	110.9	V758 L759 L764 H765 D766 A898 E899 K902	V758-Q762 VanDerWaalsContact O-CB 3.3Å; V758-Q762 WeakPolarHBondContact O-CB 3.46Å; V758-Q762 PolarHBondContact O-N 3.47Å; L759-Q762 PolarHBondContact O-N 3.49Å; Q762-L764 VanDerWaalsContact C-N 3.34Å; Q762-L764 PolarHBondContact O-N 3.16Å; Q762-H765 PolarHBondContact O-N 3.39Å; Q762-D766 WeakPolarHBondContact CG-OD2 3.45Å; Q762-D766 WeakPolarHBondContact O-CB 3.19Å; Q762-D766 VanDerWaalsContact O-CG 3.31Å; Q762-D766 PolarHBondContact O-N 3.18Å; Q762-A898 HydrophobicContact CB-CB 3.58Å; Q762-A898 HydrophobicContact CG-CB 3.82Å; Q762-E899 PolarHBondContact NE2-OE1 2.84Å; Q762-K902 VanDerWaalsContact OE1-CD 3.29Å
763	F	98.1	Very high	97.8	Very high	20 Å²	20	19.9 Å²	19.9	9%	0.088	9%	0.093	C	C	.	.	H	α-helix	trans	-56.8	-46.5	178.5	175.8	-90.4	0	0	0	112.3	V703 V706 H708 L711 L759 G760 L761 H767	V703-F763 HydrophobicContact CB-CE1 4.43Å; V703-F763 HydrophobicContact CG2-CD1 4.5Å; V703-F763 HydrophobicContact CG2-CE1 3.94Å; V706-F763 HydrophobicContact CB-CE2 4.39Å; V706-F763 HydrophobicContact CG1-CE2 4.24Å; V706-F763 HydrophobicContact CG2-CD2 3.94Å; V706-F763 HydrophobicContact CG2-CE2 3.25Å; V706-F763 HydrophobicContact CG2-CZ 3.77Å; H708-F763 HydrophobicContact CB-CG 4.45Å; L711-F763 HydrophobicContact CD1-CD1 3.52Å; L711-F763 HydrophobicContact CD1-CE1 4.15Å; L711-F763 HydrophobicContact CD1-CG 4.29Å; L759-F763 PolarHBondContact O-N 3.41Å; G760-F763 PolarHBondContact O-N 3.44Å; L761-F763 PolarHBondContact O-N 3.32Å; F763-H767 AromaticContact CD2-CE1 3.72Å; F763-H767 AromaticContact CD2-ND1 3.82Å; F763-H767 AromaticContact CE1-ND1 3.88Å; F763-H767 AromaticContact CE2-CE1 3.14Å; F763-H767 WeakPolarHBondContact CE2-CE1 3.25Å; F763-H767 AromaticContact CE2-ND1 3.5Å; F763-H767 WeakPolarHBondContact CE2-ND1 3.36Å; F763-H767 AromaticContact CZ-CE1 3.46Å; F763-H767 VanDerWaalsContact CZ-CE1 3.46Å; F763-H767 WeakPolarHBondContact CZ-CE1 3.44Å; F763-H767 AromaticContact CZ-ND1 3.54Å; F763-H767 PolarHBondContact O-N 2.89Å; F763-H767 PolarHBondContact O-ND1 3.06Å
764	L	97.9	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64	-46.7	178.7	-66.5	173.9	0	0	0	111.5	V703 L711 G760 L761 Q762 D766 H767 K768 I769 Y771 F792	V703-L764 HydrophobicContact CG2-CD2 4.2Å; L711-L764 HydrophobicContact CD1-CD2 4.16Å; L711-L764 HydrophobicContact CD1-CG 4.24Å; L711-L764 HydrophobicContact CD2-CD1 4.39Å; G760-L764 WeakPolarHBondContact O-CG 3.24Å; G760-L764 PolarHBondContact O-N 2.9Å; L761-L764 PolarHBondContact O-N 3.19Å; Q762-L764 VanDerWaalsContact C-N 3.34Å; Q762-L764 PolarHBondContact O-N 3.16Å; L764-D766 PolarHBondContact O-N 2.85Å; L764-H767 CarbonylContact O-C 3.49Å; L764-H767 WeakPolarHBondContact O-CA 3.49Å; L764-H767 PolarHBondContact O-N 3.12Å; L764-H767 VanDerWaalsContact O-N 3.13Å; L764-K768 PolarHBondContact O-N 3.42Å; L764-K768 VanDerWaalsContact O-N 3.14Å; L764-I769 CarbonylContact C-O 3.59Å; L764-I769 VanDerWaalsContact C-O 3.24Å; L764-I769 HydrophobicContact CB-CB 4.19Å; L764-I769 HydrophobicContact CB-CG2 4.43Å; L764-I769 HydrophobicContact CD2-CB 4.29Å; L764-I769 HydrophobicContact CD2-CD1 4.29Å; L764-I769 HydrophobicContact CD2-CG2 4.09Å; L764-I769 PolarHBondContact O-N 3.42Å; L764-Y771 HydrophobicContact CD1-CD2 4.06Å; L764-Y771 HydrophobicContact CD1-CG 4.4Å; L764-F792 HydrophobicContact CD1-CE1 4.39Å
765	H	98.2	Very high	97.3	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-64.9	-35.8	-179.7	-75.1	-170.9	0	0	0	113.4	L761 Q762 H767 K768 I769 D830 W831 D897	L761-H765 VanDerWaalsContact O-CB 3.32Å; L761-H765 WeakPolarHBondContact O-CB 3.5Å; L761-H765 VanDerWaalsContact O-CG 3.29Å; L761-H765 PolarHBondContact O-N 2.86Å; Q762-H765 PolarHBondContact O-N 3.39Å; H765-H767 VanDerWaalsContact C-N 3.3Å; H765-K768 PolarHBondContact O-N 3.37Å; H765-I769 PolarHBondContact CD2-O 3.36Å; H765-D830 IonicContact NE2-OD2 3.53Å; H765-D830 PolarHBondContact NE2-OD2 2.6Å; H765-W831 AromaticContact CE1-CE2 3.64Å; H765-W831 AromaticContact CE1-CZ2 3.85Å; H765-W831 AromaticContact CE1-NE1 3.44Å; H765-W831 PolarHBondContact CE1-NE1 2.88Å; H765-W831 AromaticContact ND1-CE2 3.79Å; H765-W831 AromaticContact ND1-CZ2 3.67Å; H765-W831 AromaticContact ND1-NE1 3.6Å; H765-D897 WeakPolarHBondContact CB-OD2 3.49Å; H765-D897 IonicContact CE1-OD1 2.81Å; H765-D897 IonicContact CE1-OD2 3.2Å; H765-D897 IonicContact CG-OD2 3.56Å; H765-D897 VanDerWaalsContact ND1-CG 3.3Å; H765-D897 IonicContact ND1-OD1 3.04Å; H765-D897 PolarHBondContact ND1-OD1 2.91Å; H765-D897 VanDerWaalsContact ND1-OD1 3.17Å; H765-D897 IonicContact ND1-OD2 2.7Å; H765-D897 PolarHBondContact ND1-OD2 2.94Å
766	D	97.3	Very high	96.9	Very high	104 Å²	104	21.3 Å²	21.3	56%	0.556	10%	0.1	S	C	*	.	H	α-helix	trans	-66.1	-34	174.4	-73.9	-27	0	0	0	111	Q762 L764 K768	Q762-D766 WeakPolarHBondContact CG-OD2 3.45Å; Q762-D766 WeakPolarHBondContact O-CB 3.19Å; Q762-D766 VanDerWaalsContact O-CG 3.31Å; Q762-D766 PolarHBondContact O-N 3.18Å; L764-D766 PolarHBondContact O-N 2.85Å; D766-K768 VanDerWaalsContact C-N 3.25Å; D766-K768 PolarHBondContact O-N 3.49Å
767	H	97.3	Very high	96.4	Very high	83 Å²	83	24.1 Å²	24.1	38%	0.384	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	8.9	171	-67.5	81.8	0	0	0	114	T702 F763 L764 H765 I769	T702-H767 HydrophobicContact CG2-CB 4Å; F763-H767 AromaticContact CD2-CE1 3.72Å; F763-H767 AromaticContact CD2-ND1 3.82Å; F763-H767 AromaticContact CE1-ND1 3.88Å; F763-H767 AromaticContact CE2-CE1 3.14Å; F763-H767 WeakPolarHBondContact CE2-CE1 3.25Å; F763-H767 AromaticContact CE2-ND1 3.5Å; F763-H767 WeakPolarHBondContact CE2-ND1 3.36Å; F763-H767 AromaticContact CZ-CE1 3.46Å; F763-H767 VanDerWaalsContact CZ-CE1 3.46Å; F763-H767 WeakPolarHBondContact CZ-CE1 3.44Å; F763-H767 AromaticContact CZ-ND1 3.54Å; F763-H767 PolarHBondContact O-N 2.89Å; F763-H767 PolarHBondContact O-ND1 3.06Å; L764-H767 CarbonylContact O-C 3.49Å; L764-H767 WeakPolarHBondContact O-CA 3.49Å; L764-H767 PolarHBondContact O-N 3.12Å; L764-H767 VanDerWaalsContact O-N 3.13Å; H765-H767 VanDerWaalsContact C-N 3.3Å; H767-I769 VanDerWaalsContact C-N 3.3Å; H767-I769 HydrophobicContact CB-CD1 4.02Å; H767-I769 PolarHBondContact O-N 3.25Å
768	K	97.5	Very high	96.2	Very high	122 Å²	122	24.8 Å²	24.8	53%	0.53	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	36.8	-178.6	-49.3	176.2	-173	173	0	113.2	L764 H765 D766 E797 G798 M799	L764-K768 PolarHBondContact O-N 3.42Å; L764-K768 VanDerWaalsContact O-N 3.14Å; H765-K768 PolarHBondContact O-N 3.37Å; D766-K768 VanDerWaalsContact C-N 3.25Å; D766-K768 PolarHBondContact O-N 3.49Å; K768-E797 CarbonylContact O-C 3.47Å; K768-G798 PolarHBondContact O-N 3Å; K768-M799 PolarHBondContact O-N 2.76Å
769	I	97.8	Very high	96.1	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	12%	0.118	C	C	.	.			trans	-109.3	129.1	173.7	-61.6	157.7	0	0	0	108	I699 T702 L764 H765 H767 C795 K796	I699-I769 HydrophobicContact CD1-CG2 3.83Å; I699-I769 HydrophobicContact CG1-CD1 3.98Å; I699-I769 HydrophobicContact CG1-CG1 4.24Å; I699-I769 HydrophobicContact CG1-CG2 4.25Å; I699-I769 HydrophobicContact CG2-CD1 4.27Å; I699-I769 HydrophobicContact CG2-CG2 4.32Å; T702-I769 HydrophobicContact CG2-CD1 4.12Å; L764-I769 CarbonylContact C-O 3.59Å; L764-I769 VanDerWaalsContact C-O 3.24Å; L764-I769 HydrophobicContact CB-CB 4.19Å; L764-I769 HydrophobicContact CB-CG2 4.43Å; L764-I769 HydrophobicContact CD2-CB 4.29Å; L764-I769 HydrophobicContact CD2-CD1 4.29Å; L764-I769 HydrophobicContact CD2-CG2 4.09Å; L764-I769 PolarHBondContact O-N 3.42Å; H765-I769 PolarHBondContact CD2-O 3.36Å; H767-I769 VanDerWaalsContact C-N 3.3Å; H767-I769 HydrophobicContact CB-CD1 4.02Å; H767-I769 PolarHBondContact O-N 3.25Å; I769-C795 HydrophobicContact CG2-CB 4Å; I769-K796 WeakPolarHBondContact CA-O 3.47Å
770	V	97.8	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-101.9	139.1	168.5	65.6	0	0	0	0	109.2	R772 C795 K796 M799 R827 V829 D830	V770-R772 HydrophobicContact CB-CG 4.29Å; V770-R772 HydrophobicContact CG1-CG 3.81Å; V770-R772 HydrophobicContact CG2-CG 3.71Å; V770-C795 CarbonylContact O-C 3.56Å; V770-C795 WeakPolarHBondContact O-CA 3.41Å; V770-C795 WeakPolarHBondContact O-CB 3.38Å; V770-K796 HydrophobicContact CG1-CB 3.99Å; V770-K796 PolarHBondContact N-O 3.06Å; V770-K796 PolarHBondContact O-N 2.99Å; V770-M799 HydrophobicContact CB-CB 4.01Å; V770-M799 HydrophobicContact CB-CG 4.45Å; V770-M799 HydrophobicContact CG1-CB 3.74Å; V770-M799 HydrophobicContact CG1-CE 4.32Å; V770-M799 HydrophobicContact CG1-CG 3.64Å; V770-R827 HydrophobicContact CB-CB 4.41Å; V770-R827 HydrophobicContact CG2-CB 4.17Å; V770-V829 HydrophobicContact CG2-CG2 3.95Å; V770-D830 WeakPolarHBondContact CG2-OD2 3.39Å
771	Y	97.5	Very high	95.9	Very high	1 Å²	1	26 Å²	26	0%	0.004	13%	0.125	C	C	.	.			trans	-89.3	-45.5	-169.4	-179.3	-104.3	0	0	0	113.7	L761 L764 D773 L774 N778 I789 A790 D791 F792 L794 C795 D830	L761-Y771 HydrophobicContact CD2-CG 4.47Å; L764-Y771 HydrophobicContact CD1-CD2 4.06Å; L764-Y771 HydrophobicContact CD1-CG 4.4Å; Y771-D773 VanDerWaalsContact C-N 3.28Å; Y771-D773 WeakPolarHBondContact CE1-O 3.29Å; Y771-D773 PolarHBondContact O-N 3.4Å; Y771-D773 VanDerWaalsContact O-N 3.13Å; Y771-L774 HydrophobicContact CD1-CB 4.08Å; Y771-L774 HydrophobicContact CD1-CD1 4.38Å; Y771-L774 HydrophobicContact CE1-CB 4.14Å; Y771-L774 HydrophobicContact CE1-CD1 4.21Å; Y771-N778 WeakPolarHBondContact OH-CB 3.33Å; Y771-N778 PolarHBondContact OH-ND2 3.46Å; Y771-N778 VanDerWaalsContact OH-ND2 3.08Å; Y771-I789 HydrophobicContact CD1-CG2 4.48Å; Y771-I789 HydrophobicContact CD2-CG2 4.08Å; Y771-I789 HydrophobicContact CE1-CG2 3.88Å; Y771-I789 HydrophobicContact CE2-CG2 3.45Å; Y771-I789 VanDerWaalsContact CE2-CG2 3.45Å; Y771-A790 PolarHBondContact OH-O 3.45Å; Y771-D791 PolarHBondContact OH-O 3.03Å; Y771-F792 AromaticContact CD2-CD1 3.96Å; Y771-F792 HydrophobicContact CD2-CD1 3.96Å; Y771-F792 HydrophobicContact CD2-CE1 4.25Å; Y771-F792 AromaticContact CE2-CD1 3.79Å; Y771-F792 HydrophobicContact CE2-CD1 3.79Å; Y771-F792 HydrophobicContact CE2-CE1 4.05Å; Y771-L794 CarbonylContact O-C 3.52Å; Y771-C795 WeakPolarHBondContact CD2-SG 3.49Å; Y771-D830 WeakPolarHBondContact CB-OD2 3.33Å; Y771-D830 PolarHBondContact N-OD2 3.33Å
772	R	95.9	Very high	95.7	Very high	26 Å²	26	26.6 Å²	26.6	10%	0.098	13%	0.128	C	C	.	.			trans	65.6	-1.7	169.2	-49.8	-174.5	-66.9	172	-0.6	119.1	V770 L794 C795 C809 Y825 V829 D830	V770-R772 HydrophobicContact CB-CG 4.29Å; V770-R772 HydrophobicContact CG1-CG 3.81Å; V770-R772 HydrophobicContact CG2-CG 3.71Å; R772-L794 PolarHBondContact NE-O 3.19Å; R772-L794 PolarHBondContact NH2-O 3.08Å; R772-C795 PolarHBondContact NH2-O 2.77Å; R772-C809 VanDerWaalsContact CZ-SG 3.52Å; R772-C809 PolarHBondContact NH1-SG 3.43Å; R772-Y825 WeakPolarHBondContact CD-OH 3.41Å; R772-Y825 HydrophobicContact CG-CE2 4.46Å; R772-Y825 PolarHBondContact NH1-OH 3.36Å; R772-V829 HydrophobicContact CG-CG2 4.25Å; R772-D830 WeakPolarHBondContact CA-OD1 3.42Å; R772-D830 PolarHBondContact N-OD1 2.93Å
773	D	93.5	Very high	95.5	Very high	14 Å²	14	29.3 Å²	29.3	8%	0.075	15%	0.147	C	C	.	.			trans	-135	40.2	179.1	-165	35.5	0	0	0	113.3	Y771 K775 N778 L794 T811	Y771-D773 VanDerWaalsContact C-N 3.28Å; Y771-D773 WeakPolarHBondContact CE1-O 3.29Å; Y771-D773 PolarHBondContact O-N 3.4Å; Y771-D773 VanDerWaalsContact O-N 3.13Å; D773-K775 PolarHBondContact O-N 3.48Å; D773-K775 IonicContact OD1-NZ 3.17Å; D773-K775 PolarHBondContact OD1-NZ 3.19Å; D773-K775 IonicContact OD2-NZ 2.7Å; D773-K775 PolarHBondContact OD2-NZ 3.32Å; D773-N778 PolarHBondContact O-ND2 2.85Å; D773-N778 PolarHBondContact OD2-ND2 2.74Å; D773-L794 HydrophobicContact CB-CB 4.05Å; D773-L794 HydrophobicContact CB-CD1 3.85Å; D773-T811 PolarHBondContact OD1-N 3.39Å; D773-T811 PolarHBondContact OD1-OG1 2.65Å
774	L	94.7	Very high	95.3	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	16%	0.164	C	C	.	.			trans	-71.2	113.6	179.7	-168.1	74.6	0	0	0	111	V757 L761 Y771 L779 F814 L834 L837	V757-L774 HydrophobicContact CG1-CD1 3.73Å; V757-L774 HydrophobicContact CG1-CD2 3.93Å; V757-L774 HydrophobicContact CG1-CG 4.48Å; L761-L774 HydrophobicContact CD1-CD2 4.33Å; Y771-L774 HydrophobicContact CD1-CB 4.08Å; Y771-L774 HydrophobicContact CD1-CD1 4.38Å; Y771-L774 HydrophobicContact CE1-CB 4.14Å; Y771-L774 HydrophobicContact CE1-CD1 4.21Å; L774-L779 HydrophobicContact CD1-CD1 4.48Å; L774-L779 HydrophobicContact CD1-CD2 4.08Å; L774-F814 WeakPolarHBondContact O-CD1 3.36Å; L774-F814 WeakPolarHBondContact O-CE1 3.49Å; L774-F814 VanDerWaalsContact O-CG 3.28Å; L774-F814 WeakPolarHBondContact O-CG 3.5Å; L774-L834 HydrophobicContact CD2-CB 4.18Å; L774-L837 HydrophobicContact CD1-CD2 4.44Å; L774-L837 HydrophobicContact CD2-CB 4.43Å; L774-L837 HydrophobicContact CD2-CD2 3.94Å; L774-L837 HydrophobicContact CG-CD2 4.16Å
775	K	91.5	Very high	95.1	Very high	25 Å²	25	32.8 Å²	32.8	11%	0.109	16%	0.164	C	C	.	.	S	Bend	trans	-153.4	166.8	175.4	59.2	168.3	171.6	-72.3	0	110.6	D773 D777 N778 L779 T811 F814	D773-K775 PolarHBondContact O-N 3.48Å; D773-K775 IonicContact OD1-NZ 3.17Å; D773-K775 PolarHBondContact OD1-NZ 3.19Å; D773-K775 IonicContact OD2-NZ 2.7Å; D773-K775 PolarHBondContact OD2-NZ 3.32Å; K775-D777 VanDerWaalsContact C-N 3.33Å; K775-D777 HydrophobicContact CD-CB 3.94Å; K775-D777 HydrophobicContact CG-CB 4.26Å; K775-D777 PolarHBondContact O-N 2.94Å; K775-N778 WeakPolarHBondContact CE-OD1 3.41Å; K775-N778 HydrophobicContact CG-CB 4.26Å; K775-N778 PolarHBondContact NZ-OD1 3.43Å; K775-N778 PolarHBondContact O-N 2.96Å; K775-L779 WeakPolarHBondContact O-CG 3.48Å; K775-T811 HydrophobicContact CD-CG2 4.25Å; K775-T811 PolarHBondContact NZ-OG1 2.84Å; K775-F814 HydrophobicContact CB-CD1 4.46Å; K775-F814 HydrophobicContact CB-CD2 3.8Å; K775-F814 HydrophobicContact CB-CE1 4.09Å; K775-F814 HydrophobicContact CB-CE2 3.39Å; K775-F814 HydrophobicContact CB-CG 4.32Å; K775-F814 HydrophobicContact CB-CZ 3.54Å
776	L	90.1	Very high	95.1	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59.5	-37.2	-179.1	-69.4	168.2	0	0	0	113.6	L736 M737 I740 N778 L779 L837 E840 M841	L736-L776 HydrophobicContact CB-CB 4.46Å; L736-L776 HydrophobicContact CB-CD2 3.81Å; L736-L776 HydrophobicContact CD1-CD2 4.41Å; L736-L776 PolarHBondContact N-O 3.28Å; M737-L776 HydrophobicContact CB-CB 3.83Å; M737-L776 HydrophobicContact CE-CB 4.08Å; M737-L776 HydrophobicContact CE-CD1 4.21Å; M737-L776 HydrophobicContact SD-CB 4.42Å; M737-L776 HydrophobicContact SD-CD1 4.18Å; I740-L776 HydrophobicContact CD1-CD1 4.34Å; I740-L776 HydrophobicContact CG2-CD1 3.98Å; L776-N778 PolarHBondContact O-N 3.41Å; L776-L779 PolarHBondContact O-N 3.09Å; L776-L837 HydrophobicContact CD2-CD1 3.62Å; L776-L837 HydrophobicContact CG-CD1 3.89Å; L776-E840 HydrophobicContact CD1-CB 4.22Å; L776-E840 WeakPolarHBondContact CD1-OE2 3.32Å; L776-M841 HydrophobicContact CD2-CG 3.94Å
777	D	89.1	Confident	95.1	Very high	60 Å²	60	28.1 Å²	28.1	32%	0.321	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-61.1	-28.8	178.2	-50.8	-131.9	0	0	0	113.5	M737 K775	M737-D777 WeakPolarHBondContact CE-OD2 3.25Å; K775-D777 VanDerWaalsContact C-N 3.33Å; K775-D777 HydrophobicContact CD-CB 3.94Å; K775-D777 HydrophobicContact CG-CB 4.26Å; K775-D777 PolarHBondContact O-N 2.94Å
778	N	93.9	Very high	95.1	Very high	14 Å²	14	24.6 Å²	24.6	8%	0.075	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-92.9	5.4	-177	-69.7	13.3	0	0	0	112.6	Y771 D773 K775 L776 A790	Y771-N778 WeakPolarHBondContact OH-CB 3.33Å; Y771-N778 PolarHBondContact OH-ND2 3.46Å; Y771-N778 VanDerWaalsContact OH-ND2 3.08Å; D773-N778 PolarHBondContact O-ND2 2.85Å; D773-N778 PolarHBondContact OD2-ND2 2.74Å; K775-N778 WeakPolarHBondContact CE-OD1 3.41Å; K775-N778 HydrophobicContact CG-CB 4.26Å; K775-N778 PolarHBondContact NZ-OD1 3.43Å; K775-N778 PolarHBondContact O-N 2.96Å; L776-N778 PolarHBondContact O-N 3.41Å; N778-A790 PolarHBondContact O-N 3.01Å
779	L	96.5	Very high	95.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	104.5	-178.5	-64.2	178.8	0	0	0	109.5	D735 L736 V757 L774 K775 L776 V787 I789 L837	D735-L779 CarbonylContact C-O 3.43Å; D735-L779 WeakPolarHBondContact CA-O 3.31Å; L736-L779 HydrophobicContact CB-CB 4.37Å; L736-L779 HydrophobicContact CD1-CB 3.77Å; L736-L779 HydrophobicContact CD1-CD1 4Å; L736-L779 HydrophobicContact CG-CB 4.03Å; L736-L779 PolarHBondContact N-O 3.18Å; V757-L779 HydrophobicContact CG2-CD1 3.83Å; V757-L779 HydrophobicContact CG2-CD2 3.71Å; V757-L779 HydrophobicContact CG2-CG 4.44Å; L774-L779 HydrophobicContact CD1-CD1 4.48Å; L774-L779 HydrophobicContact CD1-CD2 4.08Å; K775-L779 WeakPolarHBondContact O-CG 3.48Å; L776-L779 PolarHBondContact O-N 3.09Å; L779-V787 HydrophobicContact CB-CG1 3.96Å; L779-V787 HydrophobicContact CD2-CG1 3.98Å; L779-V787 HydrophobicContact CG-CG1 4.39Å; L779-I789 HydrophobicContact CD2-CB 4.21Å; L779-I789 HydrophobicContact CD2-CG1 3.78Å; L779-I789 HydrophobicContact CD2-CG2 4.27Å; L779-L837 HydrophobicContact CD1-CD1 3.69Å; L779-L837 HydrophobicContact CD1-CD2 3.55Å; L779-L837 HydrophobicContact CD1-CG 4.25Å
780	L	96.4	Very high	95	Very high	36 Å²	36	19.1 Å²	19.1	19%	0.188	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	146.9	-175.8	-51.2	-177.5	0	0	0	111.1	V712 A731 G734 D735 V787 K788 A790	V712-L780 HydrophobicContact CG2-CD1 4.44Å; A731-L780 HydrophobicContact CB-CB 3.56Å; A731-L780 HydrophobicContact CB-CD1 3.9Å; A731-L780 HydrophobicContact CB-CG 4.39Å; G734-L780 CarbonylContact O-C 3.21Å; G734-L780 WeakPolarHBondContact O-CA 3.27Å; D735-L780 HydrophobicContact CB-CD2 3.78Å; L780-V787 CarbonylContact O-C 3.52Å; L780-V787 WeakPolarHBondContact O-CA 3.41Å; L780-K788 PolarHBondContact N-O 2.86Å; L780-K788 PolarHBondContact O-N 3.47Å; L780-A790 HydrophobicContact CD1-CB 3.81Å; L780-A790 HydrophobicContact CG-CB 3.96Å
781	L	95.9	Very high	94.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.6	168.6	-69.9	178.8	0	0	0	110.9	A731 G733 G734 L736 Y753 Y786 V787 F924	A731-L781 CarbonylContact C-O 3.57Å; G733-L781 WeakPolarHBondContact CA-O 3.36Å; G733-L781 PolarHBondContact N-O 3.46Å; G734-L781 PolarHBondContact O-N 3.16Å; L736-L781 HydrophobicContact CD2-CD1 4.03Å; L736-L781 HydrophobicContact CD2-CD2 3.9Å; L736-L781 HydrophobicContact CD2-CG 3.83Å; Y753-L781 HydrophobicContact CE1-CD2 3.8Å; L781-Y786 WeakPolarHBondContact CA-O 3.16Å; L781-V787 HydrophobicContact CD2-CG2 3.6Å; L781-F924 HydrophobicContact CD1-CD1 3.93Å; L781-F924 HydrophobicContact CD1-CE1 3.84Å
782	D	94.3	Very high	94.4	Very high	11 Å²	11	22.3 Å²	22.3	6%	0.059	12%	0.117	C	C	.	.			trans	-78.3	177.4	166	70.8	17.3	0	0	0	112.2	E784 G785 Y786 K788 K918 P926	D782-E784 PolarHBondContact O-N 2.61Å; D782-E784 PolarHBondContact OD1-N 3Å; D782-G785 PolarHBondContact O-N 2.84Å; D782-G785 VanDerWaalsContact O-N 3.15Å; D782-G785 PolarHBondContact OD1-N 3.3Å; D782-Y786 PolarHBondContact N-O 2.7Å; D782-Y786 PolarHBondContact OD1-N 3.33Å; D782-K788 HydrophobicContact CB-CD 4.42Å; D782-K918 IonicContact OD2-NZ 2.71Å; D782-K918 PolarHBondContact OD2-NZ 2.78Å; D782-P926 WeakPolarHBondContact O-CG 3.48Å
783	T	93.8	Very high	94	Very high	87 Å²	87	21.9 Å²	21.9	53%	0.534	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19	-179.1	49.9	0	0	0	0	114	A732 I928	A732-T783 HydrophobicContact CB-CG2 4.1Å; T783-I928 HydrophobicContact CG2-CD1 3.83Å
784	E	94.5	Very high	93.9	Very high	94 Å²	94	23.5 Å²	23.5	44%	0.439	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-19	178.6	-58	-178.3	106.9	0	0	112.1	D782 Y786 K918 P922 V925	D782-E784 PolarHBondContact O-N 2.61Å; D782-E784 PolarHBondContact OD1-N 3Å; E784-Y786 HydrophobicContact CB-CD2 3.76Å; E784-Y786 HydrophobicContact CB-CE2 3.86Å; E784-K918 IonicContact OE2-NZ 2.69Å; E784-K918 PolarHBondContact OE2-NZ 2.64Å; E784-P922 WeakPolarHBondContact O-CG 3.29Å; E784-V925 WeakPolarHBondContact O-CG2 3.22Å
785	G	94.9	Very high	93.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	100.1	14.6	-177.9	0	0	0	0	0	115	D782 F924	D782-G785 PolarHBondContact O-N 2.84Å; D782-G785 VanDerWaalsContact O-N 3.15Å; D782-G785 PolarHBondContact OD1-N 3.3Å; G785-F924 WeakPolarHBondContact CA-O 3.4Å
786	Y	97.4	Very high	93.9	Very high	8 Å²	8	25.9 Å²	25.9	3%	0.031	14%	0.14	C	C	.	.			trans	-81.7	150.8	168.7	-60.8	-83.7	0	0	0	111	F710 F752 L781 D782 E784 L915 K918 V920 P922	F710-Y786 AromaticContact CE1-CD1 3.73Å; F710-Y786 HydrophobicContact CE1-CD1 3.73Å; F710-Y786 HydrophobicContact CE1-CG 4.12Å; F710-Y786 HydrophobicContact CZ-CD1 4.35Å; F752-Y786 HydrophobicContact CE1-CD1 4.21Å; F752-Y786 HydrophobicContact CE2-CE1 4.4Å; F752-Y786 AromaticContact CZ-CD1 3.58Å; F752-Y786 HydrophobicContact CZ-CD1 3.58Å; F752-Y786 AromaticContact CZ-CE1 3.7Å; F752-Y786 HydrophobicContact CZ-CE1 3.7Å; L781-Y786 WeakPolarHBondContact CA-O 3.16Å; D782-Y786 PolarHBondContact N-O 2.7Å; D782-Y786 PolarHBondContact OD1-N 3.33Å; E784-Y786 HydrophobicContact CB-CD2 3.76Å; E784-Y786 HydrophobicContact CB-CE2 3.86Å; Y786-L915 HydrophobicContact CD1-CD1 4.48Å; Y786-L915 HydrophobicContact CE1-CD1 4.34Å; Y786-K918 HydrophobicContact CD1-CG 4.4Å; Y786-K918 HydrophobicContact CD2-CD 3.86Å; Y786-K918 HydrophobicContact CD2-CG 4.12Å; Y786-K918 HydrophobicContact CE1-CB 4.39Å; Y786-K918 HydrophobicContact CE1-CG 4.08Å; Y786-K918 HydrophobicContact CE2-CB 4.05Å; Y786-K918 HydrophobicContact CE2-CD 3.71Å; Y786-K918 HydrophobicContact CE2-CG 3.76Å; Y786-K918 HydrophobicContact CG-CD 4.49Å; Y786-K918 HydrophobicContact CG-CG 4.43Å; Y786-K918 WeakPolarHBondContact OH-CA 3.5Å; Y786-K918 PolarHBondContact OH-O 3.14Å; Y786-V920 WeakPolarHBondContact CE1-O 3.33Å; Y786-V920 PolarHBondContact OH-O 3.36Å; Y786-P922 HydrophobicContact CD1-CG 3.98Å; Y786-P922 HydrophobicContact CD2-CG 3.94Å; Y786-P922 HydrophobicContact CE1-CG 3.79Å; Y786-P922 HydrophobicContact CE2-CG 3.77Å; Y786-P922 HydrophobicContact CG-CG 4.04Å
787	V	97.9	Very high	94.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.1	178.1	168.9	0	0	0	0	110.8	F710 L736 Y753 C756 V757 L779 L780 L781	F710-V787 WeakPolarHBondContact CA-O 3.06Å; F710-V787 WeakPolarHBondContact CB-O 3.32Å; F710-V787 WeakPolarHBondContact CD1-O 3.32Å; L736-V787 HydrophobicContact CD1-CG1 4.39Å; L736-V787 HydrophobicContact CD1-CG2 3.77Å; L736-V787 HydrophobicContact CD2-CG2 4.16Å; L736-V787 HydrophobicContact CG-CG2 4.24Å; Y753-V787 HydrophobicContact CD1-CB 4.49Å; Y753-V787 HydrophobicContact CD1-CG2 3.31Å; Y753-V787 HydrophobicContact CD2-CG2 4.49Å; Y753-V787 HydrophobicContact CE1-CG2 3.83Å; Y753-V787 HydrophobicContact CG-CG2 3.71Å; C756-V787 HydrophobicContact CB-CB 3.95Å; V757-V787 HydrophobicContact CG2-CG1 4.12Å; L779-V787 HydrophobicContact CB-CG1 3.96Å; L779-V787 HydrophobicContact CD2-CG1 3.98Å; L779-V787 HydrophobicContact CG-CG1 4.39Å; L780-V787 CarbonylContact O-C 3.52Å; L780-V787 WeakPolarHBondContact O-CA 3.41Å; L781-V787 HydrophobicContact CD2-CG2 3.6Å
788	K	97.4	Very high	94.4	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.035	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.6	170.3	-74	171.9	170.3	-73.4	0	110.4	P709 F710 L711 V712 E729 L780 D782	P709-K788 WeakPolarHBondContact O-CE 3.12Å; P709-K788 WeakPolarHBondContact O-CG 3.23Å; P709-K788 PolarHBondContact O-NZ 3.43Å; F710-K788 WeakPolarHBondContact O-CA 3.05Å; L711-K788 PolarHBondContact O-NZ 3.4Å; L711-K788 VanDerWaalsContact O-NZ 3.09Å; V712-K788 HydrophobicContact CG2-CB 3.93Å; E729-K788 WeakPolarHBondContact OE1-CE 3.46Å; E729-K788 IonicContact OE1-NZ 2.96Å; E729-K788 PolarHBondContact OE1-NZ 3.33Å; E729-K788 WeakPolarHBondContact OE2-CE 3.44Å; E729-K788 IonicContact OE2-NZ 3.58Å; E729-K788 PolarHBondContact OE2-NZ 2.96Å; L780-K788 PolarHBondContact N-O 2.86Å; L780-K788 PolarHBondContact O-N 3.47Å; D782-K788 HydrophobicContact CB-CD 4.42Å
789	I	97.9	Very high	94.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.6	169.4	-45.7	-179.5	0	0	0	108.9	F710 L711 V712 V757 L761 Y771 L779	F710-I789 PolarHBondContact O-N 3.1Å; L711-I789 HydrophobicContact CD2-CB 3.72Å; L711-I789 HydrophobicContact CD2-CD1 3.89Å; L711-I789 HydrophobicContact CD2-CG1 3.96Å; V712-I789 PolarHBondContact N-O 3.46Å; V757-I789 HydrophobicContact CG1-CD1 4.32Å; L761-I789 HydrophobicContact CG-CD1 4.44Å; Y771-I789 HydrophobicContact CD1-CG2 4.48Å; Y771-I789 HydrophobicContact CD2-CG2 4.08Å; Y771-I789 HydrophobicContact CE1-CG2 3.88Å; Y771-I789 HydrophobicContact CE2-CG2 3.45Å; Y771-I789 VanDerWaalsContact CE2-CG2 3.45Å; L779-I789 HydrophobicContact CD2-CB 4.21Å; L779-I789 HydrophobicContact CD2-CG1 3.78Å; L779-I789 HydrophobicContact CD2-CG2 4.27Å
790	A	94.1	Very high	94.4	Very high	12 Å²	12	28.8 Å²	28.8	10%	0.099	17%	0.167	C	C	.	.			trans	-114.9	178	179.8	0	0	0	0	0	112.1	V712 Y771 N778 L780	V712-A790 HydrophobicContact CB-CB 4.48Å; V712-A790 HydrophobicContact CG2-CB 3.74Å; Y771-A790 PolarHBondContact OH-O 3.45Å; N778-A790 PolarHBondContact O-N 3.01Å; L780-A790 HydrophobicContact CD1-CB 3.81Å; L780-A790 HydrophobicContact CG-CB 3.96Å
791	D	89.9	Confident	94.4	Very high	65 Å²	65	30.3 Å²	30.3	35%	0.348	17%	0.172	S	C	.	.			trans	47	87.7	177.7	-156.4	-16.4	0	0	0	115.1	K677 Y771 G793	K677-D791 IonicContact NZ-OD1 3.53Å; K677-D791 PolarHBondContact NZ-OD1 3.42Å; K677-D791 IonicContact NZ-OD2 2.7Å; Y771-D791 PolarHBondContact OH-O 3.03Å; D791-G793 VanDerWaalsContact C-N 3.26Å; D791-G793 PolarHBondContact O-N 2.86Å; D791-G793 PolarHBondContact OD1-N 2.96Å; D791-G793 VanDerWaalsContact OD1-N 3.15Å
792	F	92.2	Very high	94.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	21%	0.205	C	C	.	.			trans	-85.7	8	178.1	-56.4	-66.5	0	0	0	113.3	E696 I699 F700 L711 L764 Y771 L794 C795	E696-F792 HydrophobicContact CG-CB 4.25Å; I699-F792 HydrophobicContact CG2-CB 3.94Å; I699-F792 HydrophobicContact CG2-CD1 4.27Å; I699-F792 HydrophobicContact CG2-CG 4.01Å; F700-F792 AromaticContact CD1-CD2 3.79Å; F700-F792 HydrophobicContact CD1-CD2 3.79Å; F700-F792 AromaticContact CD1-CE2 3.87Å; F700-F792 HydrophobicContact CD1-CE2 3.87Å; F700-F792 HydrophobicContact CD2-CD2 4.3Å; F700-F792 AromaticContact CE1-CD2 3.49Å; F700-F792 HydrophobicContact CE1-CD2 3.49Å; F700-F792 VanDerWaalsContact CE1-CD2 3.49Å; F700-F792 AromaticContact CE1-CE2 3.54Å; F700-F792 HydrophobicContact CE1-CE2 3.54Å; F700-F792 HydrophobicContact CE2-CD2 4.02Å; F700-F792 HydrophobicContact CG-CD2 4.2Å; F700-F792 AromaticContact CZ-CD2 3.62Å; F700-F792 HydrophobicContact CZ-CD2 3.62Å; F700-F792 HydrophobicContact CZ-CE2 4.08Å; L711-F792 HydrophobicContact CB-CZ 4.16Å; L711-F792 HydrophobicContact CD2-CE1 4.2Å; L711-F792 HydrophobicContact CD2-CZ 4.18Å; L764-F792 HydrophobicContact CD1-CE1 4.39Å; Y771-F792 AromaticContact CD2-CD1 3.96Å; Y771-F792 HydrophobicContact CD2-CD1 3.96Å; Y771-F792 HydrophobicContact CD2-CE1 4.25Å; Y771-F792 AromaticContact CE2-CD1 3.79Å; Y771-F792 HydrophobicContact CE2-CD1 3.79Å; Y771-F792 HydrophobicContact CE2-CE1 4.05Å; F792-L794 PolarHBondContact O-N 3.16Å; F792-L794 VanDerWaalsContact O-N 3.07Å; F792-C795 VanDerWaalsContact CA-SG 3.58Å; F792-C795 HydrophobicContact CB-CB 4.44Å; F792-C795 VanDerWaalsContact O-CB 3.24Å; F792-C795 WeakPolarHBondContact O-CB 3.46Å; F792-C795 PolarHBondContact O-N 2.91Å; F792-C795 PolarHBondContact O-SG 2.9Å; F792-C795 VanDerWaalsContact O-SG 3.39Å
793	G	88.8	Confident	94.4	Very high	17 Å²	17	42.1 Å²	42.1	18%	0.175	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16	-174.4	0	0	0	0	0	115.8	E696 D791	E696-G793 PolarHBondContact OE1-N 2.94Å; E696-G793 WeakPolarHBondContact OE2-CA 3.17Å; D791-G793 VanDerWaalsContact C-N 3.26Å; D791-G793 PolarHBondContact O-N 2.86Å; D791-G793 PolarHBondContact OD1-N 2.96Å; D791-G793 VanDerWaalsContact OD1-N 3.15Å
794	L	90	Very high	94.5	Very high	49 Å²	49	43.3 Å²	43.3	26%	0.257	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	7.5	172	-70.5	-176.3	0	0	0	114.1	Y771 R772 D773 F792 C809	Y771-L794 CarbonylContact O-C 3.52Å; R772-L794 PolarHBondContact NE-O 3.19Å; R772-L794 PolarHBondContact NH2-O 3.08Å; D773-L794 HydrophobicContact CB-CB 4.05Å; D773-L794 HydrophobicContact CB-CD1 3.85Å; F792-L794 PolarHBondContact O-N 3.16Å; F792-L794 VanDerWaalsContact O-N 3.07Å; L794-C809 HydrophobicContact CD2-CB 4.17Å
795	C	94.3	Very high	94.4	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.034	20%	0.196	C	C	.	.			trans	-68.1	171.9	176	-66.1	0	0	0	0	112.7	I699 I769 V770 Y771 R772 F792	I699-C795 HydrophobicContact CD1-CB 3.44Å; I699-C795 VanDerWaalsContact CD1-CB 3.44Å; I769-C795 HydrophobicContact CG2-CB 4Å; V770-C795 CarbonylContact O-C 3.56Å; V770-C795 WeakPolarHBondContact O-CA 3.41Å; V770-C795 WeakPolarHBondContact O-CB 3.38Å; Y771-C795 WeakPolarHBondContact CD2-SG 3.49Å; R772-C795 PolarHBondContact NH2-O 2.77Å; F792-C795 VanDerWaalsContact CA-SG 3.58Å; F792-C795 HydrophobicContact CB-CB 4.44Å; F792-C795 VanDerWaalsContact O-CB 3.24Å; F792-C795 WeakPolarHBondContact O-CB 3.46Å; F792-C795 PolarHBondContact O-N 2.91Å; F792-C795 PolarHBondContact O-SG 2.9Å; F792-C795 VanDerWaalsContact O-SG 3.39Å
796	K	93.5	Very high	94.2	Very high	73 Å²	73	43.3 Å²	43.3	32%	0.317	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-151.4	123.2	168.8	179	161.7	178.5	169.8	0	112.6	I769 V770 M799 T805	I769-K796 WeakPolarHBondContact CA-O 3.47Å; V770-K796 HydrophobicContact CG1-CB 3.99Å; V770-K796 PolarHBondContact N-O 3.06Å; V770-K796 PolarHBondContact O-N 2.99Å; K796-M799 HydrophobicContact CB-CG 4.34Å; K796-M799 HydrophobicContact CD-CG 4.4Å; K796-M799 HydrophobicContact CG-CG 3.96Å; K796-T805 HydrophobicContact CD-CG2 4.33Å; K796-T805 WeakPolarHBondContact CD-OG1 3.38Å; K796-T805 PolarHBondContact NZ-OG1 2.86Å
797	E	94.2	Very high	93.8	Very high	77 Å²	77	46 Å²	46	36%	0.36	24%	0.243	S	C	.	.	S	Bend	trans	-67.8	163.2	168.9	68.6	-168.1	174	0	0	112.7	R698 K768 M799	R698-E797 IonicContact CZ-OE1 2.68Å; R698-E797 IonicContact CZ-OE2 2.75Å; R698-E797 IonicContact NE-OE1 2.85Å; R698-E797 IonicContact NE-OE2 2.75Å; R698-E797 PolarHBondContact NE-OE2 2.89Å; R698-E797 IonicContact NH2-OE1 3.45Å; R698-E797 PolarHBondContact NH2-OE1 3.26Å; R698-E797 IonicContact NH2-OE2 3.44Å; K768-E797 CarbonylContact O-C 3.47Å; E797-M799 VanDerWaalsContact C-N 3.34Å; E797-M799 PolarHBondContact O-N 3.34Å
798	G	94.8	Very high	93.3	Very high	54 Å²	54	52 Å²	52	56%	0.557	27%	0.27	S	S	*	.	S	Bend	trans	73.5	21.1	178.3	0	0	0	0	0	114.9	K768	K768-G798 PolarHBondContact O-N 3Å
799	M	96.5	Very high	92.7	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.015	28%	0.275	C	S	.	.			trans	-112.3	64.5	-175.6	-72.3	-68.2	-52.7	0	0	111.2	K768 V770 K796 E797 D803 T805	K768-M799 PolarHBondContact O-N 2.76Å; V770-M799 HydrophobicContact CB-CB 4.01Å; V770-M799 HydrophobicContact CB-CG 4.45Å; V770-M799 HydrophobicContact CG1-CB 3.74Å; V770-M799 HydrophobicContact CG1-CE 4.32Å; V770-M799 HydrophobicContact CG1-CG 3.64Å; K796-M799 HydrophobicContact CB-CG 4.34Å; K796-M799 HydrophobicContact CD-CG 4.4Å; K796-M799 HydrophobicContact CG-CG 3.96Å; E797-M799 VanDerWaalsContact C-N 3.34Å; E797-M799 PolarHBondContact O-N 3.34Å; M799-D803 WeakPolarHBondContact CE-O 3.5Å; M799-D803 HydrophobicContact SD-CB 4.43Å; M799-T805 HydrophobicContact CE-CG2 3.82Å; M799-T805 HydrophobicContact SD-CG2 3.83Å
800	G	94.8	Very high	92	Very high	4 Å²	4	53.8 Å²	53.8	4%	0.041	29%	0.286	C	S	.	.			trans	-78.2	-164.4	174.3	0	0	0	0	0	113.6	R802 D803	G800-R802 PolarHBondContact O-N 2.91Å; G800-D803 WeakPolarHBondContact CA-OD2 3.35Å; G800-D803 PolarHBondContact N-OD2 2.83Å; G800-D803 PolarHBondContact O-N 2.89Å
801	F	95.2	Very high	91.5	Very high	68 Å²	68	54.5 Å²	54.5	30%	0.298	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	121.8	179	178	-128.7	0	0	0	111.2	D803 E895	F801-D803 VanDerWaalsContact C-N 3.26Å; F801-D803 PolarHBondContact O-N 3.26Å; F801-E895 HydrophobicContact CD1-CB 3.85Å; F801-E895 HydrophobicContact CD1-CG 3.74Å; F801-E895 HydrophobicContact CE1-CB 3.55Å; F801-E895 HydrophobicContact CE1-CG 3.81Å; F801-E895 HydrophobicContact CE2-CB 4.27Å; F801-E895 HydrophobicContact CG-CB 4.33Å; F801-E895 HydrophobicContact CG-CG 4.4Å; F801-E895 HydrophobicContact CZ-CB 3.79Å
802	R	92.6	Very high	91.2	Very high	187 Å²	187	52.6 Å²	52.6	71%	0.706	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-5.2	-175.1	-47.5	177.6	-175.5	-177.7	2.4	116.4	G800	G800-R802 PolarHBondContact O-N 2.91Å
803	D	97.1	Very high	90.9	Very high	72 Å²	72	55.4 Å²	55.4	39%	0.385	29%	0.294	S	S	.	.			trans	-65.2	147.1	172.7	-65.4	-45	0	0	0	110.5	M799 G800 F801	M799-D803 WeakPolarHBondContact CE-O 3.5Å; M799-D803 HydrophobicContact SD-CB 4.43Å; G800-D803 WeakPolarHBondContact CA-OD2 3.35Å; G800-D803 PolarHBondContact N-OD2 2.83Å; G800-D803 PolarHBondContact O-N 2.89Å; F801-D803 VanDerWaalsContact C-N 3.26Å; F801-D803 PolarHBondContact O-N 3.26Å
804	R	96	Very high	91.1	Very high	111 Å²	111	55.4 Å²	55.4	42%	0.419	29%	0.289	S	S	.	.			trans	-132.2	143.8	-171.4	-66.8	-175.2	80.3	115.1	-3.5	113.3	E822 S824 Y825 T826	R804-E822 IonicContact CZ-OE2 3.75Å; R804-E822 IonicContact NH2-OE2 3.77Å; R804-E822 PolarHBondContact NH2-OE2 3.13Å; R804-S824 PolarHBondContact NE-OG 3.38Å; R804-S824 PolarHBondContact NH2-O 2.73Å; R804-S824 PolarHBondContact NH2-OG 3.19Å; R804-Y825 VanDerWaalsContact CA-O 3.23Å; R804-Y825 WeakPolarHBondContact CA-O 3.44Å; R804-T826 HydrophobicContact CG-CG2 3.7Å
805	T	93.3	Very high	91.2	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.037	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-132.3	157.5	174.1	-172.9	0	0	0	0	110.9	K796 M799 S824 Y825	K796-T805 HydrophobicContact CD-CG2 4.33Å; K796-T805 WeakPolarHBondContact CD-OG1 3.38Å; K796-T805 PolarHBondContact NZ-OG1 2.86Å; M799-T805 HydrophobicContact CE-CG2 3.82Å; M799-T805 HydrophobicContact SD-CG2 3.83Å; T805-S824 CarbonylContact O-C 3.56Å; T805-S824 WeakPolarHBondContact O-CA 3.4Å; T805-S824 VanDerWaalsContact O-CB 3.26Å; T805-S824 WeakPolarHBondContact O-CB 3.4Å; T805-Y825 HydrophobicContact CG2-CD2 3.99Å; T805-Y825 HydrophobicContact CG2-CE1 4.3Å; T805-Y825 HydrophobicContact CG2-CE2 3.38Å; T805-Y825 PolarHBondContact N-O 3.34Å; T805-Y825 PolarHBondContact O-N 3.3Å
806	S	91.1	Very high	91.2	Very high	88 Å²	88	53.4 Å²	53.4	62%	0.615	28%	0.278	S	S	*	.			trans	-121	5.2	-173.7	55.2	0	0	0	0	114.5	F808 T823	S806-F808 PolarHBondContact O-N 3.3Å; S806-T823 WeakPolarHBondContact CB-O 3.44Å
807	T	87.9	Confident	91.3	Very high	65 Å²	65	50.2 Å²	50.2	40%	0.399	27%	0.265	S	S	.	.			trans	-66.8	117.6	178.2	-42.8	0	0	0	0	110.7	C809 Y825	T807-C809 HydrophobicContact CG2-CB 4.39Å; T807-C809 PolarHBondContact O-N 3.45Å; T807-Y825 VanDerWaalsContact O-CE1 3.23Å; T807-Y825 WeakPolarHBondContact O-CE1 3.39Å; T807-Y825 PolarHBondContact O-OH 3.39Å
808	F	87.5	Confident	91.4	Very high	127 Å²	127	46.7 Å²	46.7	56%	0.557	25%	0.248	S	C	*	.			trans	-77.6	107.3	172.4	-171.2	-86	0	0	0	109.7	S806 L815 V819 L820	S806-F808 PolarHBondContact O-N 3.3Å; F808-L815 HydrophobicContact CE1-CD1 4.33Å; F808-L815 HydrophobicContact CE2-CD1 4.43Å; F808-L815 HydrophobicContact CZ-CD1 3.87Å; F808-V819 HydrophobicContact CD2-CG1 4.05Å; F808-V819 WeakPolarHBondContact CD2-O 3.18Å; F808-V819 HydrophobicContact CE2-CG1 4.32Å; F808-L820 HydrophobicContact CE2-CD2 3.93Å; F808-L820 HydrophobicContact CZ-CD2 4.05Å
809	C	84.9	Confident	91.3	Very high	22 Å²	22	44.8 Å²	44.8	15%	0.149	23%	0.226	C	C	.	.			trans	-159.8	161.9	-176.5	59	0	0	0	0	111.2	R772 L794 T807 L815	R772-C809 VanDerWaalsContact CZ-SG 3.52Å; R772-C809 PolarHBondContact NH1-SG 3.43Å; L794-C809 HydrophobicContact CD2-CB 4.17Å; T807-C809 HydrophobicContact CG2-CB 4.39Å; T807-C809 PolarHBondContact O-N 3.45Å; C809-L815 VanDerWaalsContact O-CD2 3.28Å; C809-L815 WeakPolarHBondContact O-CD2 3.28Å
810	G	84.3	Confident	90.9	Very high	22 Å²	22	46.7 Å²	46.7	23%	0.227	24%	0.236	C	C	.	.	S	Bend	trans	117.4	170.4	-176.1	0	0	0	0	0	111.9
811	T	82.8	Confident	90.5	Very high	28 Å²	28	50.6 Å²	50.6	17%	0.172	26%	0.259	C	S	.	.			trans	-81.5	130.8	-180	-58.2	0	0	0	0	110.6	D773 K775 E813 F814 L815	D773-T811 PolarHBondContact OD1-N 3.39Å; D773-T811 PolarHBondContact OD1-OG1 2.65Å; K775-T811 HydrophobicContact CD-CG2 4.25Å; K775-T811 PolarHBondContact NZ-OG1 2.84Å; T811-E813 PolarHBondContact O-N 2.91Å; T811-F814 HydrophobicContact CG2-CD2 4.06Å; T811-F814 PolarHBondContact O-N 2.82Å; T811-L815 PolarHBondContact O-N 2.88Å
812	P	84.5	Confident	90	Very high	24 Å²	24	51.1 Å²	51.1	16%	0.156	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-49	-47	-165.7	-34.1	37.6	0	0	0	117	F814 L815 F857 I860	P812-F814 VanDerWaalsContact C-N 3.28Å; P812-F814 PolarHBondContact O-N 3.08Å; P812-L815 PolarHBondContact O-N 2.87Å; P812-F857 HydrophobicContact CB-CE1 3.85Å; P812-F857 HydrophobicContact CB-CZ 4.24Å; P812-I860 VanDerWaalsContact O-CD1 3.31Å; P812-I860 WeakPolarHBondContact O-CD1 3.37Å
813	E	86.1	Confident	89.5	Confident	62 Å²	62	48.4 Å²	48.4	29%	0.29	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-73.1	-16.7	-178.1	63.6	-130.1	115.8	0	0	114.3	T811 V856	T811-E813 PolarHBondContact O-N 2.91Å; E813-V856 HydrophobicContact CB-CG1 4.31Å
814	F	91.8	Very high	89.2	Confident	17 Å²	17	46.2 Å²	46.2	8%	0.075	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-96.3	-6	176.3	-67.1	-89.9	0	0	0	113.3	L774 K775 T811 P812 A816 V836 E840	L774-F814 WeakPolarHBondContact O-CD1 3.36Å; L774-F814 WeakPolarHBondContact O-CE1 3.49Å; L774-F814 VanDerWaalsContact O-CG 3.28Å; L774-F814 WeakPolarHBondContact O-CG 3.5Å; K775-F814 HydrophobicContact CB-CD1 4.46Å; K775-F814 HydrophobicContact CB-CD2 3.8Å; K775-F814 HydrophobicContact CB-CE1 4.09Å; K775-F814 HydrophobicContact CB-CE2 3.39Å; K775-F814 HydrophobicContact CB-CG 4.32Å; K775-F814 HydrophobicContact CB-CZ 3.54Å; T811-F814 HydrophobicContact CG2-CD2 4.06Å; T811-F814 PolarHBondContact O-N 2.82Å; P812-F814 VanDerWaalsContact C-N 3.28Å; P812-F814 PolarHBondContact O-N 3.08Å; F814-A816 PolarHBondContact O-N 2.91Å; F814-V836 HydrophobicContact CD1-CB 3.73Å; F814-V836 HydrophobicContact CD1-CG1 3.47Å; F814-V836 VanDerWaalsContact CD1-CG1 3.47Å; F814-V836 HydrophobicContact CE1-CB 4.01Å; F814-V836 HydrophobicContact CE1-CG1 3.5Å; F814-V836 VanDerWaalsContact CE1-CG1 3.5Å; F814-V836 HydrophobicContact CG-CG1 4.18Å; F814-V836 HydrophobicContact CZ-CG1 4.21Å; F814-E840 VanDerWaalsContact CZ-OE2 3.25Å; F814-E840 WeakPolarHBondContact CZ-OE2 3.26Å
815	L	91.9	Very high	89.2	Confident	10 Å²	10	41.2 Å²	41.2	5%	0.052	24%	0.238	C	C	.	.			trans	-64.1	132.1	-178.7	-66.1	-175	0	0	0	111.3	F808 C809 T811 P812 V819 L820 W832 F857 I860	F808-L815 HydrophobicContact CE1-CD1 4.33Å; F808-L815 HydrophobicContact CE2-CD1 4.43Å; F808-L815 HydrophobicContact CZ-CD1 3.87Å; C809-L815 VanDerWaalsContact O-CD2 3.28Å; C809-L815 WeakPolarHBondContact O-CD2 3.28Å; T811-L815 PolarHBondContact O-N 2.88Å; P812-L815 PolarHBondContact O-N 2.87Å; L815-V819 HydrophobicContact CD2-CG1 4.4Å; L815-L820 HydrophobicContact CB-CD2 4.2Å; L815-L820 HydrophobicContact CB-CG 4.44Å; L815-L820 HydrophobicContact CD1-CD2 3.75Å; L815-W832 PolarHBondContact O-NE1 3.32Å; L815-W832 VanDerWaalsContact O-NE1 3.15Å; L815-F857 HydrophobicContact CD1-CE1 3.91Å; L815-F857 HydrophobicContact CD1-CZ 4.46Å; L815-I860 WeakPolarHBondContact O-CG2 3.44Å
816	A	95.6	Very high	89.4	Confident	2 Å²	2	42.1 Å²	42.1	2%	0.017	24%	0.244	C	C	.	.			trans	-74.6	148	175.2	0	0	0	0	0	111	F814 E818 V819 V829 W832	F814-A816 PolarHBondContact O-N 2.91Å; A816-E818 HydrophobicContact CB-CG 4.47Å; A816-E818 WeakPolarHBondContact CB-OE2 3.31Å; A816-E818 PolarHBondContact O-N 2.85Å; A816-E818 VanDerWaalsContact O-N 3.12Å; A816-V819 HydrophobicContact CB-CG2 4.21Å; A816-V819 WeakPolarHBondContact O-CB 3.47Å; A816-V819 PolarHBondContact O-N 2.84Å; A816-V829 HydrophobicContact CB-CB 4.11Å; A816-V829 HydrophobicContact CB-CG1 3.9Å; A816-W832 HydrophobicContact CB-CB 3.76Å; A816-W832 HydrophobicContact CB-CD2 4.23Å; A816-W832 HydrophobicContact CB-CG 3.65Å
817	P	95.3	Very high	89.7	Confident	6 Å²	6	38.7 Å²	38.7	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-57.9	-32.1	-174.3	-26.6	35.7	0	0	0	113.8	V819 L820 T821 W832 I860 R885	P817-V819 VanDerWaalsContact C-N 3.29Å; P817-V819 PolarHBondContact O-N 3.01Å; P817-L820 PolarHBondContact O-N 3.3Å; P817-T821 WeakPolarHBondContact O-CB 3.3Å; P817-T821 WeakPolarHBondContact O-CG2 3.35Å; P817-T821 PolarHBondContact O-N 2.89Å; P817-T821 PolarHBondContact O-OG1 3.18Å; P817-W832 HydrophobicContact CG-CE3 4.25Å; P817-W832 HydrophobicContact CG-CH2 3.44Å; P817-W832 VanDerWaalsContact CG-CH2 3.44Å; P817-W832 HydrophobicContact CG-CZ2 3.8Å; P817-W832 HydrophobicContact CG-CZ3 3.7Å; P817-I860 HydrophobicContact CB-CG2 4.43Å; P817-I860 HydrophobicContact CG-CG2 3.9Å; P817-R885 HydrophobicContact CG-CB 4.47Å; P817-R885 HydrophobicContact CG-CG 4.14Å
818	E	95	Very high	90.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-27.7	175.1	65	-91.4	-145.4	0	0	113.2	A816 L820 T821 E822 V829 R890	A816-E818 HydrophobicContact CB-CG 4.47Å; A816-E818 WeakPolarHBondContact CB-OE2 3.31Å; A816-E818 PolarHBondContact O-N 2.85Å; A816-E818 VanDerWaalsContact O-N 3.12Å; E818-L820 VanDerWaalsContact C-N 3.28Å; E818-L820 PolarHBondContact O-N 2.84Å; E818-T821 PolarHBondContact O-N 2.86Å; E818-E822 HydrophobicContact CB-CB 4.34Å; E818-E822 HydrophobicContact CB-CG 4.04Å; E818-E822 WeakPolarHBondContact O-CA 3.4Å; E818-E822 WeakPolarHBondContact O-CB 3.44Å; E818-E822 PolarHBondContact O-N 2.6Å; E818-V829 HydrophobicContact CG-CG1 4.25Å; E818-R890 IonicContact OE1-CZ 2.68Å; E818-R890 IonicContact OE1-NH1 3.19Å; E818-R890 PolarHBondContact OE1-NH1 3.24Å; E818-R890 IonicContact OE1-NH2 2.75Å; E818-R890 PolarHBondContact OE1-NH2 3.42Å; E818-R890 IonicContact OE2-CZ 3.2Å; E818-R890 IonicContact OE2-NH1 2.88Å; E818-R890 PolarHBondContact OE2-NH1 3.46Å; E818-R890 IonicContact OE2-NH2 3.37Å; E818-R890 PolarHBondContact OE2-NH2 3.21Å
819	V	93.3	Very high	90.7	Very high	15 Å²	15	30.1 Å²	30.1	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-29.7	174.8	-169.9	0	0	0	0	110.8	F808 L815 A816 P817 Y825 V829	F808-V819 HydrophobicContact CD2-CG1 4.05Å; F808-V819 WeakPolarHBondContact CD2-O 3.18Å; F808-V819 HydrophobicContact CE2-CG1 4.32Å; L815-V819 HydrophobicContact CD2-CG1 4.4Å; A816-V819 HydrophobicContact CB-CG2 4.21Å; A816-V819 WeakPolarHBondContact O-CB 3.47Å; A816-V819 PolarHBondContact O-N 2.84Å; P817-V819 VanDerWaalsContact C-N 3.29Å; P817-V819 PolarHBondContact O-N 3.01Å; V819-Y825 HydrophobicContact CB-CD1 4.35Å; V819-Y825 HydrophobicContact CG1-CD1 4.27Å; V819-Y825 HydrophobicContact CG1-CE1 4.07Å; V819-Y825 HydrophobicContact CG2-CD1 3.81Å; V819-Y825 HydrophobicContact CG2-CE1 4.17Å; V819-Y825 HydrophobicContact CG2-CG 4.01Å; V819-V829 HydrophobicContact CG2-CG1 3.78Å
820	L	89	Confident	91.3	Very high	42 Å²	42	29.2 Å²	29.2	22%	0.22	17%	0.169	C	C	.	.	H	α-helix	trans	-86.6	-25	178.6	-56.1	-179.8	0	0	0	113.3	F808 L815 P817 E818 F857 I860 V861	F808-L820 HydrophobicContact CE2-CD2 3.93Å; F808-L820 HydrophobicContact CZ-CD2 4.05Å; L815-L820 HydrophobicContact CB-CD2 4.2Å; L815-L820 HydrophobicContact CB-CG 4.44Å; L815-L820 HydrophobicContact CD1-CD2 3.75Å; P817-L820 PolarHBondContact O-N 3.3Å; E818-L820 VanDerWaalsContact C-N 3.28Å; E818-L820 PolarHBondContact O-N 2.84Å; L820-F857 HydrophobicContact CD1-CB 4.05Å; L820-F857 HydrophobicContact CD1-CD1 3.88Å; L820-F857 HydrophobicContact CD1-CG 4.24Å; L820-F857 HydrophobicContact CD2-CD1 3.63Å; L820-F857 HydrophobicContact CD2-CE1 3.9Å; L820-F857 HydrophobicContact CD2-CG 4.05Å; L820-F857 HydrophobicContact CG-CD1 4.44Å; L820-I860 HydrophobicContact CD1-CB 3.92Å; L820-I860 HydrophobicContact CD1-CD1 4.3Å; L820-I860 HydrophobicContact CD1-CG2 3.57Å; L820-V861 HydrophobicContact CB-CG2 4.04Å; L820-V861 HydrophobicContact CD1-CG2 3.92Å
821	T	86.4	Confident	92	Very high	86 Å²	86	28.2 Å²	28.2	53%	0.528	16%	0.158	S	C	.	.	H	α-helix	trans	-123.2	-27.1	-166.9	60.3	0	0	0	0	115.8	P817 E818 V861	P817-T821 WeakPolarHBondContact O-CB 3.3Å; P817-T821 WeakPolarHBondContact O-CG2 3.35Å; P817-T821 PolarHBondContact O-N 2.89Å; P817-T821 PolarHBondContact O-OG1 3.18Å; E818-T821 PolarHBondContact O-N 2.86Å; T821-V861 HydrophobicContact CG2-CB 4.46Å; T821-V861 HydrophobicContact CG2-CG1 3.85Å; T821-V861 HydrophobicContact CG2-CG2 3.65Å
822	E	84.8	Confident	92.8	Very high	80 Å²	80	26.9 Å²	26.9	37%	0.374	15%	0.15	S	C	.	.	S	Bend	trans	-96.8	172.8	178.9	-62.7	-174.5	-147.8	0	0	111.9	R804 E818	R804-E822 IonicContact CZ-OE2 3.75Å; R804-E822 IonicContact NH2-OE2 3.77Å; R804-E822 PolarHBondContact NH2-OE2 3.13Å; E818-E822 HydrophobicContact CB-CB 4.34Å; E818-E822 HydrophobicContact CB-CG 4.04Å; E818-E822 WeakPolarHBondContact O-CA 3.4Å; E818-E822 WeakPolarHBondContact O-CB 3.44Å; E818-E822 PolarHBondContact O-N 2.6Å
823	T	80.1	Confident	93.4	Very high	130 Å²	130	26 Å²	26	80%	0.798	15%	0.145	S	C	*	.	S	Bend	trans	-87.8	-8.6	175.5	53.9	0	0	0	0	113.5	S806	S806-T823 WeakPolarHBondContact CB-O 3.44Å
824	S	92.3	Very high	94	Very high	25 Å²	25	23 Å²	23	18%	0.175	13%	0.131	C	C	.	.			trans	-165.7	164.3	-179.2	57.9	0	0	0	0	110.3	R804 T805	R804-S824 PolarHBondContact NE-OG 3.38Å; R804-S824 PolarHBondContact NH2-O 2.73Å; R804-S824 PolarHBondContact NH2-OG 3.19Å; T805-S824 CarbonylContact O-C 3.56Å; T805-S824 WeakPolarHBondContact O-CA 3.4Å; T805-S824 VanDerWaalsContact O-CB 3.26Å; T805-S824 WeakPolarHBondContact O-CB 3.4Å
825	Y	95.9	Very high	94.3	Very high	6 Å²	6	22.2 Å²	22.2	2%	0.024	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-143.5	170.4	179	56	-93.7	0	0	0	111.4	R772 R804 T805 T807 V819 V829	R772-Y825 WeakPolarHBondContact CD-OH 3.41Å; R772-Y825 HydrophobicContact CG-CE2 4.46Å; R772-Y825 PolarHBondContact NH1-OH 3.36Å; R804-Y825 VanDerWaalsContact CA-O 3.23Å; R804-Y825 WeakPolarHBondContact CA-O 3.44Å; T805-Y825 HydrophobicContact CG2-CD2 3.99Å; T805-Y825 HydrophobicContact CG2-CE1 4.3Å; T805-Y825 HydrophobicContact CG2-CE2 3.38Å; T805-Y825 PolarHBondContact N-O 3.34Å; T805-Y825 PolarHBondContact O-N 3.3Å; T807-Y825 VanDerWaalsContact O-CE1 3.23Å; T807-Y825 WeakPolarHBondContact O-CE1 3.39Å; T807-Y825 PolarHBondContact O-OH 3.39Å; V819-Y825 HydrophobicContact CB-CD1 4.35Å; V819-Y825 HydrophobicContact CG1-CD1 4.27Å; V819-Y825 HydrophobicContact CG1-CE1 4.07Å; V819-Y825 HydrophobicContact CG2-CD1 3.81Å; V819-Y825 HydrophobicContact CG2-CE1 4.17Å; V819-Y825 HydrophobicContact CG2-CG 4.01Å; Y825-V829 HydrophobicContact CD2-CB 4.42Å; Y825-V829 HydrophobicContact CD2-CG1 3.5Å; Y825-V829 HydrophobicContact CD2-CG2 4.03Å; Y825-V829 HydrophobicContact CE2-CG1 4.3Å; Y825-V829 HydrophobicContact CE2-CG2 4.19Å; Y825-V829 HydrophobicContact CG-CG1 3.83Å
826	T	97.3	Very high	94.6	Very high	25 Å²	25	21.7 Å²	21.7	15%	0.153	13%	0.125	C	C	.	.			trans	-113.7	-176.7	-178.9	65.7	0	0	0	0	111.1	R804 A828 V829	R804-T826 HydrophobicContact CG-CG2 3.7Å; T826-A828 PolarHBondContact O-N 3.21Å; T826-A828 WeakPolarHBondContact OG1-CB 3.45Å; T826-A828 PolarHBondContact OG1-N 2.98Å; T826-V829 PolarHBondContact O-N 3.32Å
827	R	97.1	Very high	94.7	Very high	17 Å²	17	21.7 Å²	21.7	6%	0.064	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-11	169.7	76.5	-178.1	-173.1	-161.1	-9	115.4	V770 V829 D830 G894 E895 D897	V770-R827 HydrophobicContact CB-CB 4.41Å; V770-R827 HydrophobicContact CG2-CB 4.17Å; R827-V829 PolarHBondContact O-N 2.97Å; R827-D830 PolarHBondContact O-N 3.35Å; R827-G894 PolarHBondContact NH2-O 2.67Å; R827-G894 VanDerWaalsContact NH2-O 3.15Å; R827-E895 PolarHBondContact NH2-O 3.28Å; R827-D897 IonicContact CZ-OD1 2.77Å; R827-D897 IonicContact NE-OD1 3.48Å; R827-D897 PolarHBondContact NE-OD1 3.21Å; R827-D897 IonicContact NH2-OD1 2.82Å; R827-D897 PolarHBondContact NH2-OD1 2.79Å
828	A	98.1	Very high	94.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.7	-16.2	174.9	0	0	0	0	0	114.5	T826 W831 W832 P887 R890 A893	T826-A828 PolarHBondContact O-N 3.21Å; T826-A828 WeakPolarHBondContact OG1-CB 3.45Å; T826-A828 PolarHBondContact OG1-N 2.98Å; A828-W831 PolarHBondContact O-N 3.39Å; A828-W832 PolarHBondContact O-N 2.98Å; A828-P887 HydrophobicContact CB-CB 3.89Å; A828-R890 WeakPolarHBondContact O-CD 3.16Å; A828-R890 PolarHBondContact O-NH1 3.25Å; A828-A893 HydrophobicContact CB-CB 3.71Å
829	V	98.1	Very high	94.9	Very high	12 Å²	12	21.7 Å²	21.7	7%	0.073	12%	0.124	C	C	.	.	H	α-helix	trans	-65.5	-34.8	176.6	-59.6	0	0	0	0	112.7	V770 R772 A816 E818 V819 Y825 T826 R827 W831 W832 G833	V770-V829 HydrophobicContact CG2-CG2 3.95Å; R772-V829 HydrophobicContact CG-CG2 4.25Å; A816-V829 HydrophobicContact CB-CB 4.11Å; A816-V829 HydrophobicContact CB-CG1 3.9Å; E818-V829 HydrophobicContact CG-CG1 4.25Å; V819-V829 HydrophobicContact CG2-CG1 3.78Å; Y825-V829 HydrophobicContact CD2-CB 4.42Å; Y825-V829 HydrophobicContact CD2-CG1 3.5Å; Y825-V829 HydrophobicContact CD2-CG2 4.03Å; Y825-V829 HydrophobicContact CE2-CG1 4.3Å; Y825-V829 HydrophobicContact CE2-CG2 4.19Å; Y825-V829 HydrophobicContact CG-CG1 3.83Å; T826-V829 PolarHBondContact O-N 3.32Å; R827-V829 PolarHBondContact O-N 2.97Å; V829-W831 VanDerWaalsContact C-N 3.32Å; V829-W831 PolarHBondContact O-N 3.07Å; V829-W832 WeakPolarHBondContact O-CB 3.28Å; V829-W832 PolarHBondContact O-N 3.13Å; V829-W832 VanDerWaalsContact O-N 3.11Å; V829-G833 PolarHBondContact O-N 2.99Å
830	D	98.5	Very high	95	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-71.6	-32.1	179.8	-66.3	-15.8	0	0	0	111.2	L761 H765 V770 Y771 R772 R827 W832 G833 L834	L761-D830 HydrophobicContact CD1-CB 4.32Å; L761-D830 HydrophobicContact CD2-CB 4.05Å; H765-D830 IonicContact NE2-OD2 3.53Å; H765-D830 PolarHBondContact NE2-OD2 2.6Å; V770-D830 WeakPolarHBondContact CG2-OD2 3.39Å; Y771-D830 WeakPolarHBondContact CB-OD2 3.33Å; Y771-D830 PolarHBondContact N-OD2 3.33Å; R772-D830 WeakPolarHBondContact CA-OD1 3.42Å; R772-D830 PolarHBondContact N-OD1 2.93Å; R827-D830 PolarHBondContact O-N 3.35Å; D830-W832 VanDerWaalsContact C-N 3.32Å; D830-G833 PolarHBondContact O-N 2.84Å; D830-L834 PolarHBondContact O-N 2.97Å
831	W	98.7	Very high	95.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.6	-24.9	171	-60.9	127.3	0	0	0	113.3	V758 L761 H765 A828 V829 L834 G835 L882 L891 G892 D897 A898 V901	V758-W831 HydrophobicContact CG2-CZ3 4.19Å; L761-W831 HydrophobicContact CB-CH2 3.98Å; L761-W831 HydrophobicContact CB-CZ3 4.35Å; L761-W831 HydrophobicContact CD1-CE3 4.31Å; L761-W831 HydrophobicContact CD1-CH2 4.39Å; L761-W831 HydrophobicContact CD1-CZ3 3.94Å; H765-W831 AromaticContact CE1-CE2 3.64Å; H765-W831 AromaticContact CE1-CZ2 3.85Å; H765-W831 AromaticContact CE1-NE1 3.44Å; H765-W831 PolarHBondContact CE1-NE1 2.88Å; H765-W831 AromaticContact ND1-CE2 3.79Å; H765-W831 AromaticContact ND1-CZ2 3.67Å; H765-W831 AromaticContact ND1-NE1 3.6Å; A828-W831 PolarHBondContact O-N 3.39Å; V829-W831 VanDerWaalsContact C-N 3.32Å; V829-W831 PolarHBondContact O-N 3.07Å; W831-L834 HydrophobicContact CE3-CB 4.43Å; W831-L834 HydrophobicContact CE3-CD2 3.71Å; W831-L834 HydrophobicContact CZ3-CD2 3.69Å; W831-G835 PolarHBondContact O-N 2.9Å; W831-L882 HydrophobicContact CB-CD2 4.21Å; W831-L882 WeakPolarHBondContact O-CB 3.22Å; W831-L882 WeakPolarHBondContact O-CD2 3.42Å; W831-L891 WeakPolarHBondContact CB-O 3.37Å; W831-G892 PolarHBondContact NE1-O 2.97Å; W831-D897 VanDerWaalsContact CZ2-OD2 3.27Å; W831-D897 WeakPolarHBondContact CZ2-OD2 3.39Å; W831-D897 PolarHBondContact NE1-OD1 2.96Å; W831-A898 HydrophobicContact CH2-CB 3.73Å; W831-A898 HydrophobicContact CZ2-CB 3.78Å; W831-V901 HydrophobicContact CD2-CG2 4.08Å; W831-V901 HydrophobicContact CE3-CG2 3.82Å; W831-V901 HydrophobicContact CH2-CG2 4.23Å; W831-V901 HydrophobicContact CZ2-CG2 4.44Å; W831-V901 HydrophobicContact CZ3-CB 4.42Å; W831-V901 HydrophobicContact CZ3-CG1 4.35Å; W831-V901 HydrophobicContact CZ3-CG2 3.91Å
832	W	98.6	Very high	95.7	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-71.3	-47.4	166.1	172.9	-85	0	0	0	110.8	L815 A816 P817 A828 V829 D830 L834 G835 V836 F848 I860 L883	L815-W832 PolarHBondContact O-NE1 3.32Å; L815-W832 VanDerWaalsContact O-NE1 3.15Å; A816-W832 HydrophobicContact CB-CB 3.76Å; A816-W832 HydrophobicContact CB-CD2 4.23Å; A816-W832 HydrophobicContact CB-CG 3.65Å; P817-W832 HydrophobicContact CG-CE3 4.25Å; P817-W832 HydrophobicContact CG-CH2 3.44Å; P817-W832 VanDerWaalsContact CG-CH2 3.44Å; P817-W832 HydrophobicContact CG-CZ2 3.8Å; P817-W832 HydrophobicContact CG-CZ3 3.7Å; A828-W832 PolarHBondContact O-N 2.98Å; V829-W832 WeakPolarHBondContact O-CB 3.28Å; V829-W832 PolarHBondContact O-N 3.13Å; V829-W832 VanDerWaalsContact O-N 3.11Å; D830-W832 VanDerWaalsContact C-N 3.32Å; W832-L834 VanDerWaalsContact C-N 3.27Å; W832-L834 PolarHBondContact O-N 3.04Å; W832-G835 VanDerWaalsContact O-CA 3.31Å; W832-G835 WeakPolarHBondContact O-CA 3.42Å; W832-G835 PolarHBondContact O-N 3.26Å; W832-V836 PolarHBondContact O-N 2.65Å; W832-F848 HydrophobicContact CH2-CE1 4.45Å; W832-F848 AromaticContact CH2-CE2 3.82Å; W832-F848 HydrophobicContact CH2-CE2 3.82Å; W832-F848 AromaticContact CH2-CZ 3.48Å; W832-F848 HydrophobicContact CH2-CZ 3.48Å; W832-F848 VanDerWaalsContact CH2-CZ 3.48Å; W832-F848 HydrophobicContact CZ2-CD2 4.2Å; W832-F848 AromaticContact CZ2-CE2 3.27Å; W832-F848 HydrophobicContact CZ2-CE2 3.27Å; W832-F848 AromaticContact CZ2-CZ 3.46Å; W832-F848 HydrophobicContact CZ2-CZ 3.46Å; W832-F848 VanDerWaalsContact CZ2-CZ 3.46Å; W832-I860 HydrophobicContact CZ2-CG2 4.06Å; W832-L883 HydrophobicContact CD2-CD2 3.9Å; W832-L883 HydrophobicContact CE3-CB 4.5Å; W832-L883 HydrophobicContact CE3-CD2 4.09Å; W832-L883 HydrophobicContact CG-CD2 4.43Å; W832-L883 HydrophobicContact CH2-CD2 4.39Å; W832-L883 HydrophobicContact CZ2-CD2 4.21Å; W832-L883 VanDerWaalsContact CZ3-C 3.45Å; W832-L883 HydrophobicContact CZ3-CB 4.22Å; W832-L883 HydrophobicContact CZ3-CD2 4.33Å
833	G	98	Very high	95.9	Very high	4 Å²	4	13.1 Å²	13.1	4%	0.041	8%	0.077	C	C	.	.	H	α-helix	trans	-53.7	-42.2	175.6	0	0	0	0	0	112.6	V829 D830 G835 V836 L837	V829-G833 PolarHBondContact O-N 2.99Å; D830-G833 PolarHBondContact O-N 2.84Å; G833-G835 VanDerWaalsContact C-N 3.27Å; G833-G835 PolarHBondContact O-N 3.27Å; G833-V836 PolarHBondContact O-N 2.93Å; G833-V836 VanDerWaalsContact O-N 3.16Å; G833-L837 WeakPolarHBondContact O-CB 3.45Å; G833-L837 PolarHBondContact O-N 2.82Å
834	L	98.7	Very high	96.2	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.3	-34.9	174.2	-179.2	65.2	0	0	0	112.2	A754 V757 V758 L774 D830 W831 W832 L837 I838 L882 V901	A754-L834 HydrophobicContact CB-CD1 4.35Å; V757-L834 HydrophobicContact CG1-CD1 4.06Å; V758-L834 HydrophobicContact CG2-CD2 3.52Å; L774-L834 HydrophobicContact CD2-CB 4.18Å; D830-L834 PolarHBondContact O-N 2.97Å; W831-L834 HydrophobicContact CE3-CB 4.43Å; W831-L834 HydrophobicContact CE3-CD2 3.71Å; W831-L834 HydrophobicContact CZ3-CD2 3.69Å; W832-L834 VanDerWaalsContact C-N 3.27Å; W832-L834 PolarHBondContact O-N 3.04Å; L834-L837 HydrophobicContact CD1-CD2 4.28Å; L834-I838 HydrophobicContact CD1-CD1 3.98Å; L834-I838 HydrophobicContact CD1-CG1 4.15Å; L834-I838 HydrophobicContact CD2-CD1 4.46Å; L834-I838 HydrophobicContact CG-CD1 3.86Å; L834-I838 HydrophobicContact CG-CG1 4.41Å; L834-I838 WeakPolarHBondContact O-CB 3.35Å; L834-I838 VanDerWaalsContact O-CG1 3.25Å; L834-I838 WeakPolarHBondContact O-CG1 3.49Å; L834-I838 PolarHBondContact O-N 3.38Å; L834-L882 HydrophobicContact CB-CD1 4.36Å; L834-L882 HydrophobicContact CD2-CD1 4.07Å; L834-L882 HydrophobicContact CG-CD1 3.97Å; L834-V901 HydrophobicContact CD2-CG1 4.09Å
835	G	98.5	Very high	95.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-39.4	174.1	0	0	0	0	0	112.9	W831 W832 G833 F839	W831-G835 PolarHBondContact O-N 2.9Å; W832-G835 VanDerWaalsContact O-CA 3.31Å; W832-G835 WeakPolarHBondContact O-CA 3.42Å; W832-G835 PolarHBondContact O-N 3.26Å; G833-G835 VanDerWaalsContact C-N 3.27Å; G833-G835 PolarHBondContact O-N 3.27Å; G835-F839 PolarHBondContact O-N 3.39Å
836	V	97.8	Very high	95.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68.7	-49.3	175	-179.6	0	0	0	0	109.9	F814 W832 G833 I838 F839 E840 P847 L883	F814-V836 HydrophobicContact CD1-CB 3.73Å; F814-V836 HydrophobicContact CD1-CG1 3.47Å; F814-V836 VanDerWaalsContact CD1-CG1 3.47Å; F814-V836 HydrophobicContact CE1-CB 4.01Å; F814-V836 HydrophobicContact CE1-CG1 3.5Å; F814-V836 VanDerWaalsContact CE1-CG1 3.5Å; F814-V836 HydrophobicContact CG-CG1 4.18Å; F814-V836 HydrophobicContact CZ-CG1 4.21Å; W832-V836 PolarHBondContact O-N 2.65Å; G833-V836 PolarHBondContact O-N 2.93Å; G833-V836 VanDerWaalsContact O-N 3.16Å; V836-I838 PolarHBondContact O-N 2.83Å; V836-F839 WeakPolarHBondContact O-CA 3.25Å; V836-F839 WeakPolarHBondContact O-CB 3.48Å; V836-F839 PolarHBondContact O-N 3.5Å; V836-E840 HydrophobicContact CG1-CG 4.5Å; V836-E840 PolarHBondContact O-N 2.72Å; V836-P847 HydrophobicContact CB-CG 4.35Å; V836-P847 HydrophobicContact CG1-CG 3.93Å; V836-P847 HydrophobicContact CG2-CG 4.22Å; V836-L883 HydrophobicContact CG2-CD2 3.69Å
837	L	97.3	Very high	95.3	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-56.7	-44.2	178.9	-178.1	72.4	0	0	0	113	V757 L774 L776 L779 G833 L834 F839 E840 M841	V757-L837 HydrophobicContact CG1-CD2 4.29Å; V757-L837 HydrophobicContact CG2-CD2 4.19Å; L774-L837 HydrophobicContact CD1-CD2 4.44Å; L774-L837 HydrophobicContact CD2-CB 4.43Å; L774-L837 HydrophobicContact CD2-CD2 3.94Å; L774-L837 HydrophobicContact CG-CD2 4.16Å; L776-L837 HydrophobicContact CD2-CD1 3.62Å; L776-L837 HydrophobicContact CG-CD1 3.89Å; L779-L837 HydrophobicContact CD1-CD1 3.69Å; L779-L837 HydrophobicContact CD1-CD2 3.55Å; L779-L837 HydrophobicContact CD1-CG 4.25Å; G833-L837 WeakPolarHBondContact O-CB 3.45Å; G833-L837 PolarHBondContact O-N 2.82Å; L834-L837 HydrophobicContact CD1-CD2 4.28Å; L837-F839 VanDerWaalsContact C-N 3.3Å; L837-F839 PolarHBondContact O-N 2.67Å; L837-E840 PolarHBondContact O-N 3.22Å; L837-M841 HydrophobicContact CG-CE 4.19Å; L837-M841 WeakPolarHBondContact O-CB 3.27Å; L837-M841 WeakPolarHBondContact O-CG 3.3Å; L837-M841 PolarHBondContact O-N 2.65Å
838	I	98.2	Very high	95.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.4	-35.8	176.3	-69.8	168.7	0	0	0	110.9	A754 L834 V836 M841 L842 I878 M879 L882 F906	A754-I838 HydrophobicContact CB-CD1 3.98Å; A754-I838 HydrophobicContact CB-CG1 3.82Å; L834-I838 HydrophobicContact CD1-CD1 3.98Å; L834-I838 HydrophobicContact CD1-CG1 4.15Å; L834-I838 HydrophobicContact CD2-CD1 4.46Å; L834-I838 HydrophobicContact CG-CD1 3.86Å; L834-I838 HydrophobicContact CG-CG1 4.41Å; L834-I838 WeakPolarHBondContact O-CB 3.35Å; L834-I838 VanDerWaalsContact O-CG1 3.25Å; L834-I838 WeakPolarHBondContact O-CG1 3.49Å; L834-I838 PolarHBondContact O-N 3.38Å; V836-I838 PolarHBondContact O-N 2.83Å; I838-M841 HydrophobicContact CG1-CE 4.26Å; I838-L842 HydrophobicContact CG2-CD1 3.79Å; I838-L842 WeakPolarHBondContact O-CB 3.42Å; I838-L842 WeakPolarHBondContact O-CD1 3.33Å; I838-L842 VanDerWaalsContact O-CG 3.24Å; I838-L842 WeakPolarHBondContact O-CG 3.44Å; I838-L842 PolarHBondContact O-N 2.87Å; I838-I878 HydrophobicContact CD1-CD1 4.25Å; I838-I878 HydrophobicContact CD1-CG2 4.42Å; I838-I878 HydrophobicContact CG2-CG2 4.35Å; I838-M879 HydrophobicContact CB-CG 4.24Å; I838-M879 HydrophobicContact CG2-CE 4.48Å; I838-M879 HydrophobicContact CG2-CG 3.75Å; I838-M879 HydrophobicContact CG2-SD 4.02Å; I838-L882 HydrophobicContact CD1-CD1 3.99Å; I838-F906 HydrophobicContact CD1-CE1 4.1Å; I838-F906 HydrophobicContact CG2-CE1 4.26Å; I838-F906 HydrophobicContact CG2-CZ 3.9Å
839	F	97.1	Very high	94.4	Very high	8 Å²	8	18 Å²	18	4%	0.035	11%	0.107	C	C	.	.	H	α-helix	trans	-65.7	-50.4	175.5	-170.2	-81.3	0	0	0	111	G835 V836 L837 M841 L842 V843 E845 P847 V865 R866 Y867 M879	G835-F839 PolarHBondContact O-N 3.39Å; V836-F839 WeakPolarHBondContact O-CA 3.25Å; V836-F839 WeakPolarHBondContact O-CB 3.48Å; V836-F839 PolarHBondContact O-N 3.5Å; L837-F839 VanDerWaalsContact C-N 3.3Å; L837-F839 PolarHBondContact O-N 2.67Å; F839-M841 PolarHBondContact O-N 3.39Å; F839-L842 PolarHBondContact O-N 2.71Å; F839-V843 HydrophobicContact CD1-CB 4Å; F839-V843 HydrophobicContact CD1-CG1 4.46Å; F839-V843 HydrophobicContact CD1-CG2 4.05Å; F839-V843 HydrophobicContact CD2-CG2 4.38Å; F839-V843 HydrophobicContact CE1-CB 3.78Å; F839-V843 HydrophobicContact CE1-CG1 3.75Å; F839-V843 HydrophobicContact CE1-CG2 3.89Å; F839-V843 HydrophobicContact CE2-CG2 4.22Å; F839-V843 HydrophobicContact CG-CG2 4.3Å; F839-V843 HydrophobicContact CZ-CB 4.3Å; F839-V843 HydrophobicContact CZ-CG1 4.1Å; F839-V843 HydrophobicContact CZ-CG2 3.97Å; F839-V843 VanDerWaalsContact O-CB 3.28Å; F839-V843 WeakPolarHBondContact O-CB 3.39Å; F839-V843 WeakPolarHBondContact O-CG2 3.43Å; F839-V843 PolarHBondContact O-N 3.3Å; F839-E845 VanDerWaalsContact CD1-O 3.26Å; F839-E845 WeakPolarHBondContact CD1-O 3.46Å; F839-E845 VanDerWaalsContact CE1-O 3.31Å; F839-E845 WeakPolarHBondContact CE1-O 3.46Å; F839-P847 HydrophobicContact CB-CB 4.33Å; F839-P847 HydrophobicContact CB-CG 4.22Å; F839-P847 HydrophobicContact CD1-CB 3.73Å; F839-P847 HydrophobicContact CD1-CG 4.09Å; F839-P847 HydrophobicContact CD2-CB 4.05Å; F839-P847 HydrophobicContact CE1-CB 3.95Å; F839-P847 HydrophobicContact CE2-CB 4.26Å; F839-P847 HydrophobicContact CG-CB 3.78Å; F839-P847 HydrophobicContact CG-CG 4.15Å; F839-P847 HydrophobicContact CZ-CB 4.21Å; F839-V865 HydrophobicContact CD2-CG1 3.88Å; F839-V865 HydrophobicContact CE2-CG1 3.57Å; F839-V865 HydrophobicContact CZ-CG1 4.31Å; F839-R866 WeakPolarHBondContact CZ-O 3.47Å; F839-Y867 HydrophobicContact CD2-CD1 4.25Å; F839-Y867 HydrophobicContact CD2-CE1 4.08Å; F839-Y867 HydrophobicContact CE2-CD1 4.08Å; F839-Y867 HydrophobicContact CE2-CE1 4.24Å; F839-M879 WeakPolarHBondContact CA-SD 3.37Å; F839-M879 HydrophobicContact CB-SD 3.61Å; F839-M879 HydrophobicContact CD2-SD 3.69Å; F839-M879 HydrophobicContact CG-SD 4.07Å
840	E	94.8	Very high	93.4	Very high	13 Å²	13	18.9 Å²	18.9	6%	0.061	12%	0.118	C	C	.	.	H	α-helix	trans	-60.3	-46.5	179.1	-71	-170.5	172.5	0	0	112.4	I740 L776 F814 V836 L837 L842 V843 G844	I740-E840 WeakPolarHBondContact CD1-O 3.48Å; L776-E840 HydrophobicContact CD1-CB 4.22Å; L776-E840 WeakPolarHBondContact CD1-OE2 3.32Å; F814-E840 VanDerWaalsContact CZ-OE2 3.25Å; F814-E840 WeakPolarHBondContact CZ-OE2 3.26Å; V836-E840 HydrophobicContact CG1-CG 4.5Å; V836-E840 PolarHBondContact O-N 2.72Å; L837-E840 PolarHBondContact O-N 3.22Å; E840-L842 PolarHBondContact O-N 3.44Å; E840-V843 PolarHBondContact O-N 3.39Å; E840-G844 WeakPolarHBondContact O-CA 3.43Å; E840-G844 PolarHBondContact O-N 3.08Å
841	M	95	Very high	92.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.6	-36.6	176.9	-75.8	-167.4	-61.7	0	0	112.8	F745 A750 Y753 A754 L776 L837 I838 F839	F745-M841 WeakPolarHBondContact CA-O 3.34Å; F745-M841 HydrophobicContact CB-CB 4.45Å; F745-M841 WeakPolarHBondContact CB-O 3.33Å; F745-M841 HydrophobicContact CD2-CB 3.92Å; F745-M841 HydrophobicContact CD2-CG 3.68Å; F745-M841 HydrophobicContact CD2-SD 3.87Å; F745-M841 HydrophobicContact CE2-CG 4.03Å; F745-M841 HydrophobicContact CE2-SD 4.18Å; F745-M841 PolarHBondContact N-O 2.85Å; A750-M841 HydrophobicContact CB-CB 3.97Å; A750-M841 HydrophobicContact CB-CE 4.23Å; A750-M841 WeakPolarHBondContact O-CE 3.38Å; Y753-M841 HydrophobicContact CD2-SD 4.18Å; A754-M841 HydrophobicContact CB-CE 4.03Å; L776-M841 HydrophobicContact CD2-CG 3.94Å; L837-M841 HydrophobicContact CG-CE 4.19Å; L837-M841 WeakPolarHBondContact O-CB 3.27Å; L837-M841 WeakPolarHBondContact O-CG 3.3Å; L837-M841 PolarHBondContact O-N 2.65Å; I838-M841 HydrophobicContact CG1-CE 4.26Å; F839-M841 PolarHBondContact O-N 3.39Å
842	L	94.1	Very high	91.2	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-90.7	-21.5	-176.7	-66.3	171.4	0	0	0	114.2	E747 A750 I838 F839 E840 F870 L871 A875 M879 F906	E747-L842 HydrophobicContact CB-CD2 4.09Å; E747-L842 HydrophobicContact CG-CD2 4.23Å; A750-L842 HydrophobicContact CB-CD2 3.52Å; A750-L842 HydrophobicContact CB-CG 3.93Å; I838-L842 HydrophobicContact CG2-CD1 3.79Å; I838-L842 WeakPolarHBondContact O-CB 3.42Å; I838-L842 WeakPolarHBondContact O-CD1 3.33Å; I838-L842 VanDerWaalsContact O-CG 3.24Å; I838-L842 WeakPolarHBondContact O-CG 3.44Å; I838-L842 PolarHBondContact O-N 2.87Å; F839-L842 PolarHBondContact O-N 2.71Å; E840-L842 PolarHBondContact O-N 3.44Å; L842-F870 WeakPolarHBondContact O-CE2 3.29Å; L842-L871 HydrophobicContact CB-CD2 3.63Å; L842-L871 HydrophobicContact CD1-CD2 4.05Å; L842-L871 HydrophobicContact CG-CD2 4.37Å; L842-A875 HydrophobicContact CD1-CB 3.89Å; L842-M879 HydrophobicContact CD1-CE 3.81Å; L842-F906 HydrophobicContact CD1-CE2 4.42Å
843	V	90.3	Very high	90.2	Very high	22 Å²	22	33 Å²	33	13%	0.133	19%	0.19	C	C	.	.	H	α-helix	trans	-119.4	-25.5	-169.5	-178.1	0	0	0	0	113.2	F839 E840 E845 P868 F870 L871	F839-V843 HydrophobicContact CD1-CB 4Å; F839-V843 HydrophobicContact CD1-CG1 4.46Å; F839-V843 HydrophobicContact CD1-CG2 4.05Å; F839-V843 HydrophobicContact CD2-CG2 4.38Å; F839-V843 HydrophobicContact CE1-CB 3.78Å; F839-V843 HydrophobicContact CE1-CG1 3.75Å; F839-V843 HydrophobicContact CE1-CG2 3.89Å; F839-V843 HydrophobicContact CE2-CG2 4.22Å; F839-V843 HydrophobicContact CG-CG2 4.3Å; F839-V843 HydrophobicContact CZ-CB 4.3Å; F839-V843 HydrophobicContact CZ-CG1 4.1Å; F839-V843 HydrophobicContact CZ-CG2 3.97Å; F839-V843 VanDerWaalsContact O-CB 3.28Å; F839-V843 WeakPolarHBondContact O-CB 3.39Å; F839-V843 WeakPolarHBondContact O-CG2 3.43Å; F839-V843 PolarHBondContact O-N 3.3Å; E840-V843 PolarHBondContact O-N 3.39Å; V843-E845 HydrophobicContact CG1-CB 4.47Å; V843-E845 PolarHBondContact O-N 3.22Å; V843-P868 HydrophobicContact CG1-CG 3.99Å; V843-P868 HydrophobicContact CG2-CG 4.12Å; V843-F870 HydrophobicContact CG2-CZ 4.34Å; V843-L871 HydrophobicContact CG2-CD1 4.28Å; V843-L871 HydrophobicContact CG2-CD2 4.17Å
844	G	86.6	Confident	89.3	Confident	27 Å²	27	40 Å²	40	28%	0.278	22%	0.222	S	C	.	.	S	Bend	trans	74.6	7.1	-177.6	0	0	0	0	0	115.1	E840	E840-G844 WeakPolarHBondContact O-CA 3.43Å; E840-G844 PolarHBondContact O-N 3.08Å
845	E	86.2	Confident	88.5	Confident	145 Å²	145	45 Å²	45	68%	0.678	25%	0.246	S	C	*	.	S	Bend	trans	-138.9	149.9	178.3	-61	-172.8	155.5	0	0	109.2	F839 V843	F839-E845 VanDerWaalsContact CD1-O 3.26Å; F839-E845 WeakPolarHBondContact CD1-O 3.46Å; F839-E845 VanDerWaalsContact CE1-O 3.31Å; F839-E845 WeakPolarHBondContact CE1-O 3.46Å; V843-E845 HydrophobicContact CG1-CB 4.47Å; V843-E845 PolarHBondContact O-N 3.22Å
846	S	89.8	Confident	87.9	Confident	27 Å²	27	45.9 Å²	45.9	19%	0.189	25%	0.251	C	S	.	.			trans	-65.3	142.9	176.4	167.4	0	0	0	0	111.9	F848	S846-F848 PolarHBondContact O-N 2.98Å; S846-F848 PolarHBondContact OG-N 3.48Å
847	P	90.5	Very high	87.3	Confident	10 Å²	10	48.4 Å²	48.4	7%	0.065	26%	0.262	C	S	.	.	S	Bend	trans	-66.7	-14	176.3	25	-31.9	0	0	0	114.8	V836 F839 V865 L883	V836-P847 HydrophobicContact CB-CG 4.35Å; V836-P847 HydrophobicContact CG1-CG 3.93Å; V836-P847 HydrophobicContact CG2-CG 4.22Å; F839-P847 HydrophobicContact CB-CB 4.33Å; F839-P847 HydrophobicContact CB-CG 4.22Å; F839-P847 HydrophobicContact CD1-CB 3.73Å; F839-P847 HydrophobicContact CD1-CG 4.09Å; F839-P847 HydrophobicContact CD2-CB 4.05Å; F839-P847 HydrophobicContact CE1-CB 3.95Å; F839-P847 HydrophobicContact CE2-CB 4.26Å; F839-P847 HydrophobicContact CG-CB 3.78Å; F839-P847 HydrophobicContact CG-CG 4.15Å; F839-P847 HydrophobicContact CZ-CB 4.21Å; P847-V865 HydrophobicContact CB-CG1 3.74Å; P847-V865 HydrophobicContact CB-CG2 4.24Å; P847-L883 HydrophobicContact CB-CD1 4.3Å; P847-L883 HydrophobicContact CG-CD1 4.37Å
848	F	93.1	Very high	86.6	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	29%	0.286	C	S	.	.	S	Bend	trans	-130.6	77.7	-177.3	-56.6	-73.5	0	0	0	111.1	W832 S846 S859 I860 V865 L883	W832-F848 HydrophobicContact CH2-CE1 4.45Å; W832-F848 AromaticContact CH2-CE2 3.82Å; W832-F848 HydrophobicContact CH2-CE2 3.82Å; W832-F848 AromaticContact CH2-CZ 3.48Å; W832-F848 HydrophobicContact CH2-CZ 3.48Å; W832-F848 VanDerWaalsContact CH2-CZ 3.48Å; W832-F848 HydrophobicContact CZ2-CD2 4.2Å; W832-F848 AromaticContact CZ2-CE2 3.27Å; W832-F848 HydrophobicContact CZ2-CE2 3.27Å; W832-F848 AromaticContact CZ2-CZ 3.46Å; W832-F848 HydrophobicContact CZ2-CZ 3.46Å; W832-F848 VanDerWaalsContact CZ2-CZ 3.46Å; S846-F848 PolarHBondContact O-N 2.98Å; S846-F848 PolarHBondContact OG-N 3.48Å; F848-S859 WeakPolarHBondContact CD1-O 3.3Å; F848-I860 HydrophobicContact CB-CG1 3.65Å; F848-I860 HydrophobicContact CD1-CG1 4.34Å; F848-I860 HydrophobicContact CD2-CG1 3.79Å; F848-I860 HydrophobicContact CG-CB 4.41Å; F848-I860 HydrophobicContact CG-CG1 3.67Å; F848-V865 HydrophobicContact CD1-CG2 4.44Å; F848-V865 HydrophobicContact CE1-CG2 3.49Å; F848-V865 VanDerWaalsContact CE1-CG2 3.49Å; F848-V865 HydrophobicContact CE2-CG2 4.15Å; F848-V865 HydrophobicContact CZ-CG2 3.3Å; F848-L883 HydrophobicContact CE2-CD2 4.34Å
849	P	82.3	Confident	86.1	Confident	96 Å²	96	53 Å²	53	62%	0.623	29%	0.287	S	S	*	.			trans	-77.9	142.7	-175.2	31.8	-35.6	0	0	0	112.9
850	G	77.8	Confident	85.7	Confident	30 Å²	30	52.6 Å²	52.6	31%	0.309	29%	0.285	S	S	.	.			trans	-154.2	156.6	167.7	0	0	0	0	0	110.2	D852	G850-D852 VanDerWaalsContact C-N 3.35Å
851	D	73.4	Confident	85.4	Confident	112 Å²	112	54.1 Å²	54.1	60%	0.599	30%	0.295	S	S	*	.	S	Bend	trans	-83.4	-11.5	176.4	-79.8	-2.2	0	0	0	111.6	R481 E855	R481-D851 IonicContact CZ-OD1 2.76Å; R481-D851 IonicContact NH2-OD1 3.26Å; R481-D851 PolarHBondContact NH2-OD1 3.13Å; R481-D851 IonicContact NH2-OD2 2.63Å; D851-E855 PolarHBondContact N-OE2 3.42Å
852	D	77.2	Confident	85	Confident	84 Å²	84	58.4 Å²	58.4	45%	0.449	32%	0.318	S	S	.	.	S	Bend	trans	-144.6	177.4	165.8	77.9	37.3	0	0	0	115.1	G850 E854 E855 V856	G850-D852 VanDerWaalsContact C-N 3.35Å; D852-E854 VanDerWaalsContact C-N 3.35Å; D852-E854 PolarHBondContact O-N 3.22Å; D852-E854 WeakPolarHBondContact OD1-CA 3.41Å; D852-E854 PolarHBondContact OD1-N 3.29Å; D852-E855 PolarHBondContact O-N 2.82Å; D852-E855 PolarHBondContact OD1-N 2.7Å; D852-V856 WeakPolarHBondContact O-CG2 3.47Å; D852-V856 PolarHBondContact O-N 2.9Å
853	E	77.9	Confident	84.8	Confident	103 Å²	103	61.6 Å²	61.6	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-34.5	-178	-69.6	175.8	-166.3	0	0	113.9	F857	E853-F857 HydrophobicContact CB-CE2 4.2Å; E853-F857 HydrophobicContact CB-CZ 4.43Å; E853-F857 WeakPolarHBondContact O-CB 3.47Å; E853-F857 WeakPolarHBondContact O-CD2 3.41Å; E853-F857 WeakPolarHBondContact O-CG 3.15Å; E853-F857 PolarHBondContact O-N 3.17Å
854	E	79.6	Confident	84.7	Confident	153 Å²	153	68.8 Å²	68.8	72%	0.715	37%	0.367	S	S	*	.	H	α-helix	trans	-74.7	-36.9	-179.4	-169.8	164	-174.7	0	0	110.5	D852 D858	D852-E854 VanDerWaalsContact C-N 3.35Å; D852-E854 PolarHBondContact O-N 3.22Å; D852-E854 WeakPolarHBondContact OD1-CA 3.41Å; D852-E854 PolarHBondContact OD1-N 3.29Å; E854-D858 PolarHBondContact O-N 3.29Å
855	E	81.3	Confident	84.9	Confident	104 Å²	104	68.5 Å²	68.5	49%	0.486	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-44.2	170.8	-66.5	-168.5	164	0	0	112.5	D851 D852 F857 D858 S859	D851-E855 PolarHBondContact N-OE2 3.42Å; D852-E855 PolarHBondContact O-N 2.82Å; D852-E855 PolarHBondContact OD1-N 2.7Å; E855-F857 PolarHBondContact O-N 2.89Å; E855-D858 PolarHBondContact O-N 2.88Å; E855-S859 WeakPolarHBondContact O-CB 3.48Å; E855-S859 PolarHBondContact O-N 3.25Å
856	V	85.1	Confident	85.2	Confident	18 Å²	18	71.3 Å²	71.3	11%	0.109	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-44.6	176.5	169.5	0	0	0	0	111	E813 D852 D858 S859 I860	E813-V856 HydrophobicContact CB-CG1 4.31Å; D852-V856 WeakPolarHBondContact O-CG2 3.47Å; D852-V856 PolarHBondContact O-N 2.9Å; V856-D858 PolarHBondContact O-N 2.84Å; V856-S859 PolarHBondContact O-N 3.41Å; V856-I860 HydrophobicContact CG1-CD1 3.8Å; V856-I860 HydrophobicContact CG1-CG1 4.45Å; V856-I860 VanDerWaalsContact O-CG1 3.28Å; V856-I860 WeakPolarHBondContact O-CG1 3.39Å; V856-I860 PolarHBondContact O-N 3.35Å
857	F	86.7	Confident	85.2	Confident	53 Å²	53	71.9 Å²	71.9	23%	0.232	36%	0.363	C	S	.	.	H	α-helix	trans	-64.5	-38.5	176.9	-64.1	-26.8	0	0	0	112.8	P812 L815 L820 E853 E855 V861	P812-F857 HydrophobicContact CB-CE1 3.85Å; P812-F857 HydrophobicContact CB-CZ 4.24Å; L815-F857 HydrophobicContact CD1-CE1 3.91Å; L815-F857 HydrophobicContact CD1-CZ 4.46Å; L820-F857 HydrophobicContact CD1-CB 4.05Å; L820-F857 HydrophobicContact CD1-CD1 3.88Å; L820-F857 HydrophobicContact CD1-CG 4.24Å; L820-F857 HydrophobicContact CD2-CD1 3.63Å; L820-F857 HydrophobicContact CD2-CE1 3.9Å; L820-F857 HydrophobicContact CD2-CG 4.05Å; L820-F857 HydrophobicContact CG-CD1 4.44Å; E853-F857 HydrophobicContact CB-CE2 4.2Å; E853-F857 HydrophobicContact CB-CZ 4.43Å; E853-F857 WeakPolarHBondContact O-CB 3.47Å; E853-F857 WeakPolarHBondContact O-CD2 3.41Å; E853-F857 WeakPolarHBondContact O-CG 3.15Å; E853-F857 PolarHBondContact O-N 3.17Å; E855-F857 PolarHBondContact O-N 2.89Å; F857-V861 VanDerWaalsContact O-CG2 3.3Å; F857-V861 WeakPolarHBondContact O-CG2 3.16Å; F857-V861 PolarHBondContact O-N 3.38Å; F857-V861 VanDerWaalsContact O-N 3.13Å
858	D	82.3	Confident	84.9	Confident	94 Å²	94	73.1 Å²	73.1	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-42.3	176	-159.6	82.5	0	0	0	111.3	E854 E855 V856 V861 N862	E854-D858 PolarHBondContact O-N 3.29Å; E855-D858 PolarHBondContact O-N 2.88Å; V856-D858 PolarHBondContact O-N 2.84Å; D858-V861 PolarHBondContact O-N 2.95Å; D858-V861 VanDerWaalsContact O-N 3.15Å; D858-N862 VanDerWaalsContact O-CB 3.31Å; D858-N862 WeakPolarHBondContact O-CB 3.29Å; D858-N862 PolarHBondContact O-N 2.8Å; D858-N862 PolarHBondContact O-ND2 3.23Å; D858-N862 PolarHBondContact OD1-ND2 3.22Å; D858-N862 PolarHBondContact OD2-ND2 3.05Å
859	S	86.7	Confident	84.4	Confident	4 Å²	4	79.3 Å²	79.3	3%	0.028	39%	0.394	C	S	.	.	H	α-helix	trans	-62.3	-44.6	176.2	-164.1	0	0	0	0	112.2	F848 E855 V856 V861 N862 D863 R885	F848-S859 WeakPolarHBondContact CD1-O 3.3Å; E855-S859 WeakPolarHBondContact O-CB 3.48Å; E855-S859 PolarHBondContact O-N 3.25Å; V856-S859 PolarHBondContact O-N 3.41Å; S859-V861 VanDerWaalsContact C-N 3.27Å; S859-V861 PolarHBondContact O-N 2.96Å; S859-N862 PolarHBondContact O-N 2.84Å; S859-D863 WeakPolarHBondContact CB-OD2 3.44Å; S859-D863 PolarHBondContact O-N 3.48Å; S859-D863 WeakPolarHBondContact OG-CB 3.38Å; S859-D863 PolarHBondContact OG-OD2 3.08Å; S859-R885 PolarHBondContact O-NH2 3.33Å; S859-R885 VanDerWaalsContact O-NH2 3.08Å
860	I	88.2	Confident	84.7	Confident	0 Å²	0	81 Å²	81	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-56.4	-40.7	172.9	-71.4	167.3	0	0	0	111.4	P812 L815 P817 L820 W832 F848 V856 R885	P812-I860 VanDerWaalsContact O-CD1 3.31Å; P812-I860 WeakPolarHBondContact O-CD1 3.37Å; L815-I860 WeakPolarHBondContact O-CG2 3.44Å; P817-I860 HydrophobicContact CB-CG2 4.43Å; P817-I860 HydrophobicContact CG-CG2 3.9Å; L820-I860 HydrophobicContact CD1-CB 3.92Å; L820-I860 HydrophobicContact CD1-CD1 4.3Å; L820-I860 HydrophobicContact CD1-CG2 3.57Å; W832-I860 HydrophobicContact CZ2-CG2 4.06Å; F848-I860 HydrophobicContact CB-CG1 3.65Å; F848-I860 HydrophobicContact CD1-CG1 4.34Å; F848-I860 HydrophobicContact CD2-CG1 3.79Å; F848-I860 HydrophobicContact CG-CB 4.41Å; F848-I860 HydrophobicContact CG-CG1 3.67Å; V856-I860 HydrophobicContact CG1-CD1 3.8Å; V856-I860 HydrophobicContact CG1-CG1 4.45Å; V856-I860 VanDerWaalsContact O-CG1 3.28Å; V856-I860 WeakPolarHBondContact O-CG1 3.39Å; V856-I860 PolarHBondContact O-N 3.35Å; I860-R885 PolarHBondContact O-NE 3.38Å; I860-R885 PolarHBondContact O-NH2 3.43Å
861	V	90.5	Very high	85.5	Confident	44 Å²	44	80.3 Å²	80.3	27%	0.267	38%	0.381	S	S	.	.	H	α-helix	trans	-80.8	-32.3	-177.7	175.4	0	0	0	0	112.9	L820 T821 F857 D858 S859 R885	L820-V861 HydrophobicContact CB-CG2 4.04Å; L820-V861 HydrophobicContact CD1-CG2 3.92Å; T821-V861 HydrophobicContact CG2-CB 4.46Å; T821-V861 HydrophobicContact CG2-CG1 3.85Å; T821-V861 HydrophobicContact CG2-CG2 3.65Å; F857-V861 VanDerWaalsContact O-CG2 3.3Å; F857-V861 WeakPolarHBondContact O-CG2 3.16Å; F857-V861 PolarHBondContact O-N 3.38Å; F857-V861 VanDerWaalsContact O-N 3.13Å; D858-V861 PolarHBondContact O-N 2.95Å; D858-V861 VanDerWaalsContact O-N 3.15Å; S859-V861 VanDerWaalsContact C-N 3.27Å; S859-V861 PolarHBondContact O-N 2.96Å; V861-R885 PolarHBondContact O-NE 3.45Å
862	N	85.7	Confident	86.6	Confident	91 Å²	91	76.2 Å²	76.2	49%	0.487	36%	0.361	S	S	.	.	H	α-helix	trans	-115.3	-44.8	-168.3	-63	-37.4	0	0	0	115.6	D858 S859 R885	D858-N862 VanDerWaalsContact O-CB 3.31Å; D858-N862 WeakPolarHBondContact O-CB 3.29Å; D858-N862 PolarHBondContact O-N 2.8Å; D858-N862 PolarHBondContact O-ND2 3.23Å; D858-N862 PolarHBondContact OD1-ND2 3.22Å; D858-N862 PolarHBondContact OD2-ND2 3.05Å; S859-N862 PolarHBondContact O-N 2.84Å; N862-R885 PolarHBondContact O-NH1 2.84Å
863	D	89.8	Confident	87.5	Confident	75 Å²	75	77.7 Å²	77.7	40%	0.401	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-76.3	147.3	-165.7	-83.9	-39.8	0	0	0	115.1	S859 R885	S859-D863 WeakPolarHBondContact CB-OD2 3.44Å; S859-D863 PolarHBondContact O-N 3.48Å; S859-D863 WeakPolarHBondContact OG-CB 3.38Å; S859-D863 PolarHBondContact OG-OD2 3.08Å; D863-R885 PolarHBondContact O-NH1 2.93Å; D863-R885 PolarHBondContact O-NH2 3Å
864	E	88.5	Confident	88.4	Confident	173 Å²	173	74.2 Å²	74.2	81%	0.808	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-81.8	125.6	168.3	-67.5	-160.2	157.7	0	0	112	R866	E864-R866 PolarHBondContact O-N 2.93Å
865	V	91.4	Very high	89.3	Confident	21 Å²	21	67 Å²	67	13%	0.127	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-54.3	124.5	176.8	-179.5	0	0	0	0	110.7	F839 P847 F848 Y867 L883	F839-V865 HydrophobicContact CD2-CG1 3.88Å; F839-V865 HydrophobicContact CE2-CG1 3.57Å; F839-V865 HydrophobicContact CZ-CG1 4.31Å; P847-V865 HydrophobicContact CB-CG1 3.74Å; P847-V865 HydrophobicContact CB-CG2 4.24Å; F848-V865 HydrophobicContact CD1-CG2 4.44Å; F848-V865 HydrophobicContact CE1-CG2 3.49Å; F848-V865 VanDerWaalsContact CE1-CG2 3.49Å; F848-V865 HydrophobicContact CE2-CG2 4.15Å; F848-V865 HydrophobicContact CZ-CG2 3.3Å; V865-Y867 HydrophobicContact CB-CE2 3.79Å; V865-Y867 HydrophobicContact CG1-CD1 4.46Å; V865-Y867 HydrophobicContact CG1-CD2 4.38Å; V865-Y867 HydrophobicContact CG1-CE1 3.87Å; V865-Y867 HydrophobicContact CG1-CE2 3.79Å; V865-Y867 VanDerWaalsContact CG1-CZ 3.5Å; V865-Y867 WeakPolarHBondContact O-CD2 3.33Å; V865-Y867 WeakPolarHBondContact O-CE2 3.17Å; V865-L883 HydrophobicContact CG1-CD1 4.22Å; V865-L883 HydrophobicContact CG2-CB 4.46Å; V865-L883 HydrophobicContact CG2-CD1 3.98Å
866	R	90.9	Very high	90.1	Very high	203 Å²	203	63.4 Å²	63.4	77%	0.766	31%	0.307	S	S	*	.			trans	-92.1	109	-177.3	-60.9	-177.9	-171	161.3	8.5	110	F839 E864 P868	F839-R866 WeakPolarHBondContact CZ-O 3.47Å; E864-R866 PolarHBondContact O-N 2.93Å; R866-P868 WeakPolarHBondContact O-CD 3.37Å
867	Y	90.7	Very high	90.7	Very high	39 Å²	39	64.3 Å²	64.3	15%	0.153	31%	0.314	C	S	.	.			trans	-89.8	117.9	-179.1	-62.6	-82.8	0	0	0	111.4	F839 V865 L871 I876 M879 R880	F839-Y867 HydrophobicContact CD2-CD1 4.25Å; F839-Y867 HydrophobicContact CD2-CE1 4.08Å; F839-Y867 HydrophobicContact CE2-CD1 4.08Å; F839-Y867 HydrophobicContact CE2-CE1 4.24Å; V865-Y867 HydrophobicContact CB-CE2 3.79Å; V865-Y867 HydrophobicContact CG1-CD1 4.46Å; V865-Y867 HydrophobicContact CG1-CD2 4.38Å; V865-Y867 HydrophobicContact CG1-CE1 3.87Å; V865-Y867 HydrophobicContact CG1-CE2 3.79Å; V865-Y867 VanDerWaalsContact CG1-CZ 3.5Å; V865-Y867 WeakPolarHBondContact O-CD2 3.33Å; V865-Y867 WeakPolarHBondContact O-CE2 3.17Å; Y867-L871 HydrophobicContact CD1-CD1 4.07Å; Y867-I876 HydrophobicContact CD1-CG1 4.2Å; Y867-I876 HydrophobicContact CD1-CG2 4.32Å; Y867-I876 HydrophobicContact CD2-CG2 4.44Å; Y867-I876 HydrophobicContact CG-CG1 4.31Å; Y867-I876 HydrophobicContact CG-CG2 4.13Å; Y867-M879 HydrophobicContact CD1-CE 4.25Å; Y867-M879 HydrophobicContact CE1-CB 3.57Å; Y867-M879 HydrophobicContact CE1-CE 4.28Å; Y867-M879 HydrophobicContact CE1-CG 4.46Å; Y867-M879 HydrophobicContact CE1-SD 4.09Å; Y867-R880 HydrophobicContact CD2-CG 4.35Å; Y867-R880 HydrophobicContact CE1-CG 4.42Å; Y867-R880 HydrophobicContact CE2-CG 3.55Å
868	P	84.3	Confident	91.3	Very high	36 Å²	36	61.8 Å²	61.8	23%	0.234	30%	0.303	C	S	.	.			trans	-59.7	151.2	171.4	-26	35.9	0	0	0	113.2	V843 R866 F870 L871	V843-P868 HydrophobicContact CG1-CG 3.99Å; V843-P868 HydrophobicContact CG2-CG 4.12Å; R866-P868 WeakPolarHBondContact O-CD 3.37Å; P868-F870 VanDerWaalsContact C-N 3.28Å; P868-F870 HydrophobicContact CB-CD1 3.64Å; P868-F870 HydrophobicContact CB-CE1 3.26Å; P868-F870 HydrophobicContact CB-CE2 4.25Å; P868-F870 HydrophobicContact CB-CG 4.29Å; P868-F870 HydrophobicContact CB-CZ 3.61Å; P868-F870 HydrophobicContact CG-CE1 3.91Å; P868-F870 HydrophobicContact CG-CZ 3.9Å; P868-F870 PolarHBondContact O-N 2.82Å; P868-L871 WeakPolarHBondContact O-CG 3.47Å; P868-L871 PolarHBondContact O-N 2.82Å
869	R	83.3	Confident	92	Very high	133 Å²	133	57.3 Å²	57.3	50%	0.502	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.8	-173.9	-47.4	-161.2	-146	-155.3	-7.5	115.3	I306 S308 T309	I306-R869 PolarHBondContact O-NH1 3.09Å; I306-R869 PolarHBondContact O-NH2 2.88Å; S308-R869 PolarHBondContact O-NH2 2.81Å; S308-R869 VanDerWaalsContact O-NH2 3.13Å; T309-R869 HydrophobicContact CG2-CB 4.5Å; T309-R869 PolarHBondContact OG1-NH1 2.92Å; T309-R869 VanDerWaalsContact OG1-NH1 3.1Å
870	F	88.2	Confident	92.6	Very high	132 Å²	132	64.2 Å²	64.2	58%	0.579	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.8	172.6	60.2	-110	0	0	0	112.6	L842 V843 P868	L842-F870 WeakPolarHBondContact O-CE2 3.29Å; V843-F870 HydrophobicContact CG2-CZ 4.34Å; P868-F870 VanDerWaalsContact C-N 3.28Å; P868-F870 HydrophobicContact CB-CD1 3.64Å; P868-F870 HydrophobicContact CB-CE1 3.26Å; P868-F870 HydrophobicContact CB-CE2 4.25Å; P868-F870 HydrophobicContact CB-CG 4.29Å; P868-F870 HydrophobicContact CB-CZ 3.61Å; P868-F870 HydrophobicContact CG-CE1 3.91Å; P868-F870 HydrophobicContact CG-CZ 3.9Å; P868-F870 PolarHBondContact O-N 2.82Å
871	L	93.3	Very high	93.1	Very high	14 Å²	14	69.8 Å²	69.8	7%	0.073	33%	0.326	C	S	.	.	S	Bend	trans	-70.8	141.9	177.9	-61.3	173.9	0	0	0	111.1	L842 V843 Y867 P868 I876 M879	L842-L871 HydrophobicContact CB-CD2 3.63Å; L842-L871 HydrophobicContact CD1-CD2 4.05Å; L842-L871 HydrophobicContact CG-CD2 4.37Å; V843-L871 HydrophobicContact CG2-CD1 4.28Å; V843-L871 HydrophobicContact CG2-CD2 4.17Å; Y867-L871 HydrophobicContact CD1-CD1 4.07Å; P868-L871 WeakPolarHBondContact O-CG 3.47Å; P868-L871 PolarHBondContact O-N 2.82Å; L871-I876 HydrophobicContact CB-CD1 3.97Å; L871-I876 HydrophobicContact CB-CG1 3.71Å; L871-I876 HydrophobicContact CD1-CG1 4.07Å; L871-M879 HydrophobicContact CD1-CE 3.84Å; L871-M879 HydrophobicContact CD2-CE 4.37Å
872	S	96.5	Very high	93.4	Very high	27 Å²	27	67.7 Å²	67.7	19%	0.189	31%	0.313	C	S	.	.			trans	-65.9	159.9	174.3	79.4	0	0	0	0	112.8	E747 E874 A875 I876	E747-S872 VanDerWaalsContact OE1-CB 3.28Å; E747-S872 WeakPolarHBondContact OE1-CB 3.37Å; E747-S872 PolarHBondContact OE1-OG 3.33Å; E747-S872 WeakPolarHBondContact OE2-CB 3.36Å; E747-S872 PolarHBondContact OE2-N 2.85Å; E747-S872 PolarHBondContact OE2-OG 3.39Å; S872-E874 PolarHBondContact O-N 3.33Å; S872-E874 PolarHBondContact OG-N 3.19Å; S872-A875 PolarHBondContact O-N 2.77Å; S872-A875 WeakPolarHBondContact OG-CB 3.44Å; S872-A875 PolarHBondContact OG-N 3.4Å; S872-I876 WeakPolarHBondContact O-CG1 3.46Å; S872-I876 PolarHBondContact O-N 3.48Å
873	T	96.8	Very high	94	Very high	115 Å²	115	64.2 Å²	64.2	71%	0.706	29%	0.294	S	S	*	.	H	α-helix	trans	-58.4	-30.9	171.8	28.4	0	0	0	0	112.5	S877	T873-S877 WeakPolarHBondContact O-CB 3.42Å; T873-S877 PolarHBondContact O-N 3.31Å
874	E	97.2	Very high	94.4	Very high	30 Å²	30	66.1 Å²	66.1	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-76	-44.7	-179.9	-67.7	86.7	140.9	0	0	111	S872 S877 I878 H904 L905 R908	S872-E874 PolarHBondContact O-N 3.33Å; S872-E874 PolarHBondContact OG-N 3.19Å; E874-S877 WeakPolarHBondContact O-CB 3.42Å; E874-S877 PolarHBondContact O-N 3.41Å; E874-I878 PolarHBondContact O-N 2.68Å; E874-H904 PolarHBondContact O-CE1 2.97Å; E874-L905 HydrophobicContact CG-CB 3.96Å; E874-R908 IonicContact OE1-CZ 3.89Å; E874-R908 IonicContact OE1-NH1 3.89Å; E874-R908 PolarHBondContact OE1-NH1 3.34Å; E874-R908 IonicContact OE1-NH2 2.75Å; E874-R908 PolarHBondContact OE1-NH2 2.78Å
875	A	97.6	Very high	94.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-49.2	173	0	0	0	0	0	111.7	L842 S872 S877 I878 M879 F906	L842-A875 HydrophobicContact CD1-CB 3.89Å; S872-A875 PolarHBondContact O-N 2.77Å; S872-A875 WeakPolarHBondContact OG-CB 3.44Å; S872-A875 PolarHBondContact OG-N 3.4Å; A875-S877 VanDerWaalsContact C-N 3.25Å; A875-S877 PolarHBondContact O-N 3.1Å; A875-I878 WeakPolarHBondContact O-CG2 3.26Å; A875-I878 PolarHBondContact O-N 2.71Å; A875-M879 VanDerWaalsContact C-CE 3.5Å; A875-M879 HydrophobicContact CB-CE 4Å; A875-M879 WeakPolarHBondContact O-CE 3.44Å; A875-M879 PolarHBondContact O-N 2.66Å; A875-M879 VanDerWaalsContact O-N 3.13Å; A875-F906 HydrophobicContact CB-CD2 4.1Å; A875-F906 HydrophobicContact CB-CE2 3.86Å
876	I	97.9	Very high	94.9	Very high	30 Å²	30	62.9 Å²	62.9	15%	0.154	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-36.6	174.8	-64.7	173.3	0	0	0	110.7	Y867 L871 S872 R880	Y867-I876 HydrophobicContact CD1-CG1 4.2Å; Y867-I876 HydrophobicContact CD1-CG2 4.32Å; Y867-I876 HydrophobicContact CD2-CG2 4.44Å; Y867-I876 HydrophobicContact CG-CG1 4.31Å; Y867-I876 HydrophobicContact CG-CG2 4.13Å; L871-I876 HydrophobicContact CB-CD1 3.97Å; L871-I876 HydrophobicContact CB-CG1 3.71Å; L871-I876 HydrophobicContact CD1-CG1 4.07Å; S872-I876 WeakPolarHBondContact O-CG1 3.46Å; S872-I876 PolarHBondContact O-N 3.48Å; I876-R880 HydrophobicContact CG2-CG 4.23Å; I876-R880 VanDerWaalsContact O-CB 3.26Å; I876-R880 WeakPolarHBondContact O-CB 3.22Å; I876-R880 WeakPolarHBondContact O-CG 3.36Å; I876-R880 PolarHBondContact O-N 3.03Å
877	S	98.3	Very high	95.1	Very high	36 Å²	36	53.6 Å²	53.6	25%	0.252	25%	0.247	S	C	.	.	H	α-helix	trans	-69.5	-36	179	179.2	0	0	0	0	113.4	T873 E874 A875 R881 H904	T873-S877 WeakPolarHBondContact O-CB 3.42Å; T873-S877 PolarHBondContact O-N 3.31Å; E874-S877 WeakPolarHBondContact O-CB 3.42Å; E874-S877 PolarHBondContact O-N 3.41Å; A875-S877 VanDerWaalsContact C-N 3.25Å; A875-S877 PolarHBondContact O-N 3.1Å; S877-R881 VanDerWaalsContact O-CD 3.27Å; S877-R881 WeakPolarHBondContact O-CD 3.5Å; S877-R881 WeakPolarHBondContact O-CG 3.44Å; S877-H904 WeakPolarHBondContact CA-NE2 3.41Å; S877-H904 WeakPolarHBondContact CB-CE1 3.19Å; S877-H904 WeakPolarHBondContact CB-NE2 2.95Å; S877-H904 PolarHBondContact O-NE2 2.71Å; S877-H904 PolarHBondContact OG-CE1 3.36Å; S877-H904 VanDerWaalsContact OG-CE1 3.23Å; S877-H904 PolarHBondContact OG-NE2 3.01Å
878	I	98.6	Very high	95.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-73.1	-48.1	176.7	-164.2	170.6	0	0	0	110.7	I838 E874 A875 R880 R881 L882 L891 V901 H904 F906 F907	I838-I878 HydrophobicContact CD1-CD1 4.25Å; I838-I878 HydrophobicContact CD1-CG2 4.42Å; I838-I878 HydrophobicContact CG2-CG2 4.35Å; E874-I878 PolarHBondContact O-N 2.68Å; A875-I878 WeakPolarHBondContact O-CG2 3.26Å; A875-I878 PolarHBondContact O-N 2.71Å; I878-R880 PolarHBondContact O-N 2.84Å; I878-R881 WeakPolarHBondContact O-CB 3.47Å; I878-R881 PolarHBondContact O-N 2.87Å; I878-L882 HydrophobicContact CD1-CD1 4.22Å; I878-L882 HydrophobicContact CG1-CD1 3.8Å; I878-L882 HydrophobicContact CG1-CG 4.19Å; I878-L882 PolarHBondContact O-N 2.78Å; I878-L891 HydrophobicContact CG1-CD2 4.28Å; I878-V901 HydrophobicContact CD1-CG1 4.49Å; I878-H904 HydrophobicContact CD1-CB 4.3Å; I878-H904 PolarHBondContact N-CE1 2.79Å; I878-H904 PolarHBondContact N-NE2 2.77Å; I878-F906 HydrophobicContact CB-CB 4.05Å; I878-F906 HydrophobicContact CB-CG 4.34Å; I878-F906 HydrophobicContact CD1-CB 4.09Å; I878-F906 HydrophobicContact CD1-CD1 3.82Å; I878-F906 HydrophobicContact CD1-CG 4.27Å; I878-F906 HydrophobicContact CG2-CB 3.98Å; I878-F906 HydrophobicContact CG2-CD1 3.91Å; I878-F906 HydrophobicContact CG2-CD2 4.02Å; I878-F906 HydrophobicContact CG2-CE1 4.33Å; I878-F906 HydrophobicContact CG2-CE2 4.44Å; I878-F906 HydrophobicContact CG2-CG 3.73Å; I878-F907 HydrophobicContact CD1-CD2 4.15Å; I878-F907 HydrophobicContact CD1-CE2 3.43Å; I878-F907 VanDerWaalsContact CD1-CE2 3.43Å; I878-F907 HydrophobicContact CD1-CZ 4.08Å
879	M	98.5	Very high	95.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-42.9	-179.8	-69.3	-178.2	-86.9	0	0	111.9	I838 F839 L842 Y867 L871 A875 R881 L882 L883	I838-M879 HydrophobicContact CB-CG 4.24Å; I838-M879 HydrophobicContact CG2-CE 4.48Å; I838-M879 HydrophobicContact CG2-CG 3.75Å; I838-M879 HydrophobicContact CG2-SD 4.02Å; F839-M879 WeakPolarHBondContact CA-SD 3.37Å; F839-M879 HydrophobicContact CB-SD 3.61Å; F839-M879 HydrophobicContact CD2-SD 3.69Å; F839-M879 HydrophobicContact CG-SD 4.07Å; L842-M879 HydrophobicContact CD1-CE 3.81Å; Y867-M879 HydrophobicContact CD1-CE 4.25Å; Y867-M879 HydrophobicContact CE1-CB 3.57Å; Y867-M879 HydrophobicContact CE1-CE 4.28Å; Y867-M879 HydrophobicContact CE1-CG 4.46Å; Y867-M879 HydrophobicContact CE1-SD 4.09Å; L871-M879 HydrophobicContact CD1-CE 3.84Å; L871-M879 HydrophobicContact CD2-CE 4.37Å; A875-M879 VanDerWaalsContact C-CE 3.5Å; A875-M879 HydrophobicContact CB-CE 4Å; A875-M879 WeakPolarHBondContact O-CE 3.44Å; A875-M879 PolarHBondContact O-N 2.66Å; A875-M879 VanDerWaalsContact O-N 3.13Å; M879-R881 PolarHBondContact O-N 2.96Å; M879-R881 VanDerWaalsContact O-N 3.07Å; M879-L882 PolarHBondContact O-N 2.86Å; M879-L883 VanDerWaalsContact O-CB 3.3Å; M879-L883 WeakPolarHBondContact O-CB 3.39Å; M879-L883 PolarHBondContact O-N 3.42Å
880	R	98	Very high	96.5	Very high	149 Å²	149	59.4 Å²	59.4	56%	0.562	27%	0.269	S	S	*	.	H	α-helix	trans	-65.1	-9.8	174.5	-74.5	179.3	173.8	173.5	-6	115.4	Y867 I876 I878 R884	Y867-R880 HydrophobicContact CD2-CG 4.35Å; Y867-R880 HydrophobicContact CE1-CG 4.42Å; Y867-R880 HydrophobicContact CE2-CG 3.55Å; I876-R880 HydrophobicContact CG2-CG 4.23Å; I876-R880 VanDerWaalsContact O-CB 3.26Å; I876-R880 WeakPolarHBondContact O-CB 3.22Å; I876-R880 WeakPolarHBondContact O-CG 3.36Å; I876-R880 PolarHBondContact O-N 3.03Å; I878-R880 PolarHBondContact O-N 2.84Å; R880-R884 WeakPolarHBondContact O-CG 3.32Å
881	R	98.3	Very high	97	Very high	117 Å²	117	54 Å²	54	44%	0.442	25%	0.247	S	C	.	.	H	α-helix	trans	-102.8	-30.9	176	-68.6	172	179.5	-122.9	2.9	112.4	S877 I878 M879 L891 H904	S877-R881 VanDerWaalsContact O-CD 3.27Å; S877-R881 WeakPolarHBondContact O-CD 3.5Å; S877-R881 WeakPolarHBondContact O-CG 3.44Å; I878-R881 WeakPolarHBondContact O-CB 3.47Å; I878-R881 PolarHBondContact O-N 2.87Å; M879-R881 PolarHBondContact O-N 2.96Å; M879-R881 VanDerWaalsContact O-N 3.07Å; R881-L891 HydrophobicContact CB-CB 3.84Å; R881-L891 HydrophobicContact CB-CD2 4.15Å; R881-L891 PolarHBondContact O-N 2.8Å; R881-H904 WeakPolarHBondContact CD-NE2 3.34Å; R881-H904 PolarHBondContact NE-NE2 2.78Å
882	L	98.6	Very high	97.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-80.2	-44.1	173.4	-66.4	175.4	0	0	0	111.8	W831 L834 I838 I878 M879 R884 R890 L891 V901	W831-L882 HydrophobicContact CB-CD2 4.21Å; W831-L882 WeakPolarHBondContact O-CB 3.22Å; W831-L882 WeakPolarHBondContact O-CD2 3.42Å; L834-L882 HydrophobicContact CB-CD1 4.36Å; L834-L882 HydrophobicContact CD2-CD1 4.07Å; L834-L882 HydrophobicContact CG-CD1 3.97Å; I838-L882 HydrophobicContact CD1-CD1 3.99Å; I878-L882 HydrophobicContact CD1-CD1 4.22Å; I878-L882 HydrophobicContact CG1-CD1 3.8Å; I878-L882 HydrophobicContact CG1-CG 4.19Å; I878-L882 PolarHBondContact O-N 2.78Å; M879-L882 PolarHBondContact O-N 2.86Å; L882-R884 PolarHBondContact O-N 3.32Å; L882-R890 WeakPolarHBondContact O-CD 3.42Å; L882-R890 WeakPolarHBondContact O-CG 3.44Å; L882-R890 PolarHBondContact O-NE 3.46Å; L882-L891 HydrophobicContact CD2-CB 4.07Å; L882-L891 HydrophobicContact CD2-CD2 4.3Å; L882-L891 HydrophobicContact CD2-CG 4.41Å; L882-V901 HydrophobicContact CD2-CG2 4.49Å
883	L	98.3	Very high	97.1	Very high	18 Å²	18	53.1 Å²	53.1	9%	0.094	24%	0.243	C	C	.	.	S	Bend	trans	-81.4	45.6	176.5	-59.9	178.4	0	0	0	112.3	W832 V836 P847 F848 V865 M879	W832-L883 HydrophobicContact CD2-CD2 3.9Å; W832-L883 HydrophobicContact CE3-CB 4.5Å; W832-L883 HydrophobicContact CE3-CD2 4.09Å; W832-L883 HydrophobicContact CG-CD2 4.43Å; W832-L883 HydrophobicContact CH2-CD2 4.39Å; W832-L883 HydrophobicContact CZ2-CD2 4.21Å; W832-L883 VanDerWaalsContact CZ3-C 3.45Å; W832-L883 HydrophobicContact CZ3-CB 4.22Å; W832-L883 HydrophobicContact CZ3-CD2 4.33Å; V836-L883 HydrophobicContact CG2-CD2 3.69Å; P847-L883 HydrophobicContact CB-CD1 4.3Å; P847-L883 HydrophobicContact CG-CD1 4.37Å; F848-L883 HydrophobicContact CE2-CD2 4.34Å; V865-L883 HydrophobicContact CG1-CD1 4.22Å; V865-L883 HydrophobicContact CG2-CB 4.46Å; V865-L883 HydrophobicContact CG2-CD1 3.98Å; M879-L883 VanDerWaalsContact O-CB 3.3Å; M879-L883 WeakPolarHBondContact O-CB 3.39Å; M879-L883 PolarHBondContact O-N 3.42Å
884	R	97.8	Very high	97	Very high	115 Å²	115	48.6 Å²	48.6	43%	0.434	22%	0.219	S	C	.	.			trans	-95.3	125.4	173.2	-77.2	-177	163.2	-164.6	-8	110.4	R880 L882 R889 R890	R880-R884 WeakPolarHBondContact O-CG 3.32Å; L882-R884 PolarHBondContact O-N 3.32Å; R884-R889 WeakPolarHBondContact CD-O 3.43Å; R884-R889 PolarHBondContact NH1-O 2.98Å; R884-R890 HydrophobicContact CB-CB 4.3Å; R884-R890 HydrophobicContact CB-CG 4.43Å; R884-R890 PolarHBondContact O-NE 2.91Å; R884-R890 PolarHBondContact O-NH2 3.01Å
885	R	95.3	Very high	96.9	Very high	84 Å²	84	54.1 Å²	54.1	32%	0.317	25%	0.245	S	C	.	.	S	Bend	trans	-58.6	-53.3	-177.9	-68.4	-174.6	155	97.8	15.6	113.2	P817 S859 I860 V861 N862 D863 P887 R890	P817-R885 HydrophobicContact CG-CB 4.47Å; P817-R885 HydrophobicContact CG-CG 4.14Å; S859-R885 PolarHBondContact O-NH2 3.33Å; S859-R885 VanDerWaalsContact O-NH2 3.08Å; I860-R885 PolarHBondContact O-NE 3.38Å; I860-R885 PolarHBondContact O-NH2 3.43Å; V861-R885 PolarHBondContact O-NE 3.45Å; N862-R885 PolarHBondContact O-NH1 2.84Å; D863-R885 PolarHBondContact O-NH1 2.93Å; D863-R885 PolarHBondContact O-NH2 3Å; R885-P887 WeakPolarHBondContact O-CD 3.46Å; R885-R890 PolarHBondContact O-NH2 2.84Å
886	S	95.1	Very high	96.8	Very high	43 Å²	43	62.5 Å²	62.5	30%	0.301	28%	0.277	S	S	.	.	S	Bend	trans	-68.4	117.8	171.7	145.2	0	0	0	0	109.6	E888 R889 R890	S886-E888 VanDerWaalsContact C-N 3.31Å; S886-E888 WeakPolarHBondContact CB-OE2 3.47Å; S886-E888 PolarHBondContact O-N 2.81Å; S886-E888 PolarHBondContact OG-OE2 3.07Å; S886-R889 PolarHBondContact O-N 3.41Å; S886-R889 WeakPolarHBondContact OG-CG 3.38Å; S886-R890 PolarHBondContact O-N 3.5Å
887	P	95.3	Very high	96.8	Very high	8 Å²	8	61.2 Å²	61.2	5%	0.052	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-65.8	-34	-177.5	25.1	-32.4	0	0	0	111.7	A828 R885 R889 R890 A893	A828-P887 HydrophobicContact CB-CB 3.89Å; R885-P887 WeakPolarHBondContact O-CD 3.46Å; P887-R889 PolarHBondContact O-N 3.16Å; P887-R890 WeakPolarHBondContact O-CB 3.46Å; P887-R890 PolarHBondContact O-N 2.8Å; P887-A893 WeakPolarHBondContact O-CB 3.46Å
888	E	93.4	Very high	96.8	Very high	136 Å²	136	59.6 Å²	59.6	64%	0.636	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-63.9	-18.3	179.7	-44.3	77.3	-171.8	0	0	113.3	S886	S886-E888 VanDerWaalsContact C-N 3.31Å; S886-E888 WeakPolarHBondContact CB-OE2 3.47Å; S886-E888 PolarHBondContact O-N 2.81Å; S886-E888 PolarHBondContact OG-OE2 3.07Å
889	R	96	Very high	96.8	Very high	186 Å²	186	62.5 Å²	62.5	70%	0.702	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-103.3	-2.5	178.3	-65.6	179.9	176.3	-161.6	-0.5	112.6	R884 S886 P887	R884-R889 WeakPolarHBondContact CD-O 3.43Å; R884-R889 PolarHBondContact NH1-O 2.98Å; S886-R889 PolarHBondContact O-N 3.41Å; S886-R889 WeakPolarHBondContact OG-CG 3.38Å; P887-R889 PolarHBondContact O-N 3.16Å
890	R	98.1	Very high	96.7	Very high	7 Å²	7	64.7 Å²	64.7	3%	0.026	28%	0.282	C	S	.	.	S	Bend	trans	-77.9	141.6	-177.4	-163.6	176.1	-61.9	150.4	4.5	110.7	E818 A828 L882 R884 R885 S886 P887 A893	E818-R890 IonicContact OE1-CZ 2.68Å; E818-R890 IonicContact OE1-NH1 3.19Å; E818-R890 PolarHBondContact OE1-NH1 3.24Å; E818-R890 IonicContact OE1-NH2 2.75Å; E818-R890 PolarHBondContact OE1-NH2 3.42Å; E818-R890 IonicContact OE2-CZ 3.2Å; E818-R890 IonicContact OE2-NH1 2.88Å; E818-R890 PolarHBondContact OE2-NH1 3.46Å; E818-R890 IonicContact OE2-NH2 3.37Å; E818-R890 PolarHBondContact OE2-NH2 3.21Å; A828-R890 WeakPolarHBondContact O-CD 3.16Å; A828-R890 PolarHBondContact O-NH1 3.25Å; L882-R890 WeakPolarHBondContact O-CD 3.42Å; L882-R890 WeakPolarHBondContact O-CG 3.44Å; L882-R890 PolarHBondContact O-NE 3.46Å; R884-R890 HydrophobicContact CB-CB 4.3Å; R884-R890 HydrophobicContact CB-CG 4.43Å; R884-R890 PolarHBondContact O-NE 2.91Å; R884-R890 PolarHBondContact O-NH2 3.01Å; R885-R890 PolarHBondContact O-NH2 2.84Å; S886-R890 PolarHBondContact O-N 3.5Å; P887-R890 WeakPolarHBondContact O-CB 3.46Å; P887-R890 PolarHBondContact O-N 2.8Å; R890-A893 HydrophobicContact CB-CB 4.08Å; R890-A893 WeakPolarHBondContact O-CB 3.27Å; R890-A893 PolarHBondContact O-N 3.19Å
891	L	98.3	Very high	96.7	Very high	20 Å²	20	57.6 Å²	57.6	11%	0.105	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	135.6	173.5	-177.8	68.2	0	0	0	109.6	W831 I878 R881 L882 A893 E900 V901 H904	W831-L891 WeakPolarHBondContact CB-O 3.37Å; I878-L891 HydrophobicContact CG1-CD2 4.28Å; R881-L891 HydrophobicContact CB-CB 3.84Å; R881-L891 HydrophobicContact CB-CD2 4.15Å; R881-L891 PolarHBondContact O-N 2.8Å; L882-L891 HydrophobicContact CD2-CB 4.07Å; L882-L891 HydrophobicContact CD2-CD2 4.3Å; L882-L891 HydrophobicContact CD2-CG 4.41Å; L891-A893 VanDerWaalsContact C-N 3.27Å; L891-A893 PolarHBondContact O-N 2.67Å; L891-E900 HydrophobicContact CD1-CB 3.87Å; L891-V901 HydrophobicContact CG-CG2 4.11Å; L891-H904 HydrophobicContact CD2-CB 4.39Å
892	G	97	Very high	96.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-13.1	-175.2	0	0	0	0	0	114.8	W831 G894 D897	W831-G892 PolarHBondContact NE1-O 2.97Å; G892-G894 PolarHBondContact O-N 2.85Å; G892-D897 WeakPolarHBondContact O-CA 3.22Å; G892-D897 VanDerWaalsContact O-OD1 3.06Å
893	A	95.4	Very high	96.7	Very high	21 Å²	21	60.1 Å²	60.1	17%	0.174	27%	0.27	C	S	.	.			trans	-74.6	-5.3	175.4	0	0	0	0	0	114.1	A828 P887 R890 L891	A828-A893 HydrophobicContact CB-CB 3.71Å; P887-A893 WeakPolarHBondContact O-CB 3.46Å; R890-A893 HydrophobicContact CB-CB 4.08Å; R890-A893 WeakPolarHBondContact O-CB 3.27Å; R890-A893 PolarHBondContact O-N 3.19Å; L891-A893 VanDerWaalsContact C-N 3.27Å; L891-A893 PolarHBondContact O-N 2.67Å
894	G	94.4	Very high	96.7	Very high	21 Å²	21	60 Å²	60	22%	0.216	27%	0.269	C	S	.	.	S	Bend	trans	-74	174.7	175	0	0	0	0	0	113.8	R827 G892 R896 D897	R827-G894 PolarHBondContact NH2-O 2.67Å; R827-G894 VanDerWaalsContact NH2-O 3.15Å; G892-G894 PolarHBondContact O-N 2.85Å; G894-R896 VanDerWaalsContact C-N 3.29Å; G894-R896 PolarHBondContact O-N 3.23Å; G894-D897 PolarHBondContact O-N 3.29Å; G894-D897 VanDerWaalsContact O-N 3.13Å
895	E	94.9	Very high	96.6	Very high	146 Å²	146	59.7 Å²	59.7	68%	0.682	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-41.6	176.5	-171.8	164.9	-153.4	0	0	112	F801 R827 D897	F801-E895 HydrophobicContact CD1-CB 3.85Å; F801-E895 HydrophobicContact CD1-CG 3.74Å; F801-E895 HydrophobicContact CE1-CB 3.55Å; F801-E895 HydrophobicContact CE1-CG 3.81Å; F801-E895 HydrophobicContact CE2-CB 4.27Å; F801-E895 HydrophobicContact CG-CB 4.33Å; F801-E895 HydrophobicContact CG-CG 4.4Å; F801-E895 HydrophobicContact CZ-CB 3.79Å; R827-E895 PolarHBondContact NH2-O 3.28Å; E895-D897 VanDerWaalsContact C-N 3.27Å; E895-D897 PolarHBondContact O-N 3.09Å
896	R	96.1	Very high	96.8	Very high	175 Å²	175	56.2 Å²	56.2	66%	0.66	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.5	176.9	-70.1	-179.8	-65	-115.3	-4.1	114.7	G894 A898 E899 E900	G894-R896 VanDerWaalsContact C-N 3.29Å; G894-R896 PolarHBondContact O-N 3.23Å; R896-A898 PolarHBondContact O-N 3.36Å; R896-E899 HydrophobicContact CB-CB 4.34Å; R896-E899 VanDerWaalsContact O-CB 3.27Å; R896-E899 WeakPolarHBondContact O-CB 3.26Å; R896-E899 PolarHBondContact O-N 3.13Å; R896-E900 HydrophobicContact CB-CG 3.66Å; R896-E900 IonicContact CZ-OE1 3.36Å; R896-E900 IonicContact NE-OE1 2.96Å; R896-E900 PolarHBondContact NE-OE1 3.19Å; R896-E900 IonicContact NH2-OE1 3.7Å; R896-E900 PolarHBondContact NH2-OE1 3.43Å
897	D	98	Very high	96.9	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-126.9	166.9	-156.5	66.6	0	0	0	115.1	H765 R827 W831 G892 G894 E895 E899 E900	H765-D897 WeakPolarHBondContact CB-OD2 3.49Å; H765-D897 IonicContact CE1-OD1 2.81Å; H765-D897 IonicContact CE1-OD2 3.2Å; H765-D897 IonicContact CG-OD2 3.56Å; H765-D897 VanDerWaalsContact ND1-CG 3.3Å; H765-D897 IonicContact ND1-OD1 3.04Å; H765-D897 PolarHBondContact ND1-OD1 2.91Å; H765-D897 VanDerWaalsContact ND1-OD1 3.17Å; H765-D897 IonicContact ND1-OD2 2.7Å; H765-D897 PolarHBondContact ND1-OD2 2.94Å; R827-D897 IonicContact CZ-OD1 2.77Å; R827-D897 IonicContact NE-OD1 3.48Å; R827-D897 PolarHBondContact NE-OD1 3.21Å; R827-D897 IonicContact NH2-OD1 2.82Å; R827-D897 PolarHBondContact NH2-OD1 2.79Å; W831-D897 VanDerWaalsContact CZ2-OD2 3.27Å; W831-D897 WeakPolarHBondContact CZ2-OD2 3.39Å; W831-D897 PolarHBondContact NE1-OD1 2.96Å; G892-D897 WeakPolarHBondContact O-CA 3.22Å; G892-D897 VanDerWaalsContact O-OD1 3.06Å; G894-D897 PolarHBondContact O-N 3.29Å; G894-D897 VanDerWaalsContact O-N 3.13Å; E895-D897 VanDerWaalsContact C-N 3.27Å; E895-D897 PolarHBondContact O-N 3.09Å; D897-E899 PolarHBondContact O-N 2.94Å; D897-E899 VanDerWaalsContact O-N 3.08Å; D897-E900 WeakPolarHBondContact O-CB 3.44Å; D897-E900 PolarHBondContact O-N 2.99Å
898	A	97.6	Very high	96.9	Very high	1 Å²	1	61 Å²	61	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-49.7	-31.7	175.3	0	0	0	0	0	113.8	V758 Q762 W831 R896 E900 V901 K902	V758-A898 HydrophobicContact CG1-CB 4.46Å; Q762-A898 HydrophobicContact CB-CB 3.58Å; Q762-A898 HydrophobicContact CG-CB 3.82Å; W831-A898 HydrophobicContact CH2-CB 3.73Å; W831-A898 HydrophobicContact CZ2-CB 3.78Å; R896-A898 PolarHBondContact O-N 3.36Å; A898-E900 PolarHBondContact O-N 2.98Å; A898-E900 VanDerWaalsContact O-N 3.14Å; A898-V901 WeakPolarHBondContact O-CB 3.4Å; A898-V901 PolarHBondContact O-N 2.96Å; A898-K902 HydrophobicContact CB-CD 4.33Å; A898-K902 WeakPolarHBondContact O-CB 3.33Å; A898-K902 VanDerWaalsContact O-CG 3.23Å; A898-K902 WeakPolarHBondContact O-CG 3.31Å; A898-K902 PolarHBondContact O-N 2.9Å
899	E	97.9	Very high	96.7	Very high	62 Å²	62	61.7 Å²	61.7	29%	0.29	28%	0.281	S	S	.	.	H	α-helix	trans	-66.5	-12.4	177.3	-73.4	-60.8	135.8	0	0	113.9	Q762 R896 D897 K902 K903	Q762-E899 PolarHBondContact NE2-OE1 2.84Å; R896-E899 HydrophobicContact CB-CB 4.34Å; R896-E899 VanDerWaalsContact O-CB 3.27Å; R896-E899 WeakPolarHBondContact O-CB 3.26Å; R896-E899 PolarHBondContact O-N 3.13Å; D897-E899 PolarHBondContact O-N 2.94Å; D897-E899 VanDerWaalsContact O-N 3.08Å; E899-K902 WeakPolarHBondContact OE1-CD 3.38Å; E899-K902 WeakPolarHBondContact OE1-CE 3.32Å; E899-K902 IonicContact OE1-NZ 3.23Å; E899-K902 PolarHBondContact OE1-NZ 2.87Å; E899-K903 VanDerWaalsContact O-CD 3.32Å; E899-K903 WeakPolarHBondContact O-CD 3.4Å; E899-K903 WeakPolarHBondContact O-CG 3.48Å; E899-K903 PolarHBondContact O-NZ 3.05Å; E899-K903 IonicContact OE2-NZ 3.79Å; E899-K903 PolarHBondContact OE2-NZ 2.93Å
900	E	97.5	Very high	96.7	Very high	45 Å²	45	54.3 Å²	54.3	21%	0.21	26%	0.255	C	S	.	.	H	α-helix	trans	-86.8	-36.9	168.1	-49.8	-157.8	142.9	0	0	111.8	L891 R896 D897 A898	L891-E900 HydrophobicContact CD1-CB 3.87Å; R896-E900 HydrophobicContact CB-CG 3.66Å; R896-E900 IonicContact CZ-OE1 3.36Å; R896-E900 IonicContact NE-OE1 2.96Å; R896-E900 PolarHBondContact NE-OE1 3.19Å; R896-E900 IonicContact NH2-OE1 3.7Å; R896-E900 PolarHBondContact NH2-OE1 3.43Å; D897-E900 WeakPolarHBondContact O-CB 3.44Å; D897-E900 PolarHBondContact O-N 2.99Å; A898-E900 PolarHBondContact O-N 2.98Å; A898-E900 VanDerWaalsContact O-N 3.14Å
901	V	98.4	Very high	96.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-47.5	177.9	-176.9	0	0	0	0	110.4	V758 W831 L834 I878 L882 L891 A898 K903 H904 F907	V758-V901 HydrophobicContact CG1-CG1 4.43Å; V758-V901 HydrophobicContact CG2-CG1 3.8Å; W831-V901 HydrophobicContact CD2-CG2 4.08Å; W831-V901 HydrophobicContact CE3-CG2 3.82Å; W831-V901 HydrophobicContact CH2-CG2 4.23Å; W831-V901 HydrophobicContact CZ2-CG2 4.44Å; W831-V901 HydrophobicContact CZ3-CB 4.42Å; W831-V901 HydrophobicContact CZ3-CG1 4.35Å; W831-V901 HydrophobicContact CZ3-CG2 3.91Å; L834-V901 HydrophobicContact CD2-CG1 4.09Å; I878-V901 HydrophobicContact CD1-CG1 4.49Å; L882-V901 HydrophobicContact CD2-CG2 4.49Å; L891-V901 HydrophobicContact CG-CG2 4.11Å; A898-V901 WeakPolarHBondContact O-CB 3.4Å; A898-V901 PolarHBondContact O-N 2.96Å; V901-K903 PolarHBondContact O-N 2.73Å; V901-K903 VanDerWaalsContact O-N 3.11Å; V901-H904 WeakPolarHBondContact O-CB 3.1Å; V901-H904 PolarHBondContact O-N 2.94Å; V901-F907 HydrophobicContact CG1-CE2 3.92Å; V901-F907 WeakPolarHBondContact O-CD2 3.22Å
902	K	98.3	Very high	96.6	Very high	28 Å²	28	59 Å²	59	12%	0.122	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.5	-179	-68.9	166.1	73.4	-179.1	0	114	V758 Q762 A898 E899 W912	V758-K902 HydrophobicContact CG1-CD 4.23Å; V758-K902 HydrophobicContact CG1-CG 3.64Å; Q762-K902 VanDerWaalsContact OE1-CD 3.29Å; A898-K902 HydrophobicContact CB-CD 4.33Å; A898-K902 WeakPolarHBondContact O-CB 3.33Å; A898-K902 VanDerWaalsContact O-CG 3.23Å; A898-K902 WeakPolarHBondContact O-CG 3.31Å; A898-K902 PolarHBondContact O-N 2.9Å; E899-K902 WeakPolarHBondContact OE1-CD 3.38Å; E899-K902 WeakPolarHBondContact OE1-CE 3.32Å; E899-K902 IonicContact OE1-NZ 3.23Å; E899-K902 PolarHBondContact OE1-NZ 2.87Å; K902-W912 VanDerWaalsContact CA-CZ2 3.49Å; K902-W912 HydrophobicContact CB-CD2 4.27Å; K902-W912 HydrophobicContact CB-CH2 4.35Å; K902-W912 HydrophobicContact CB-CZ2 3.73Å; K902-W912 HydrophobicContact CD-CD2 4.4Å; K902-W912 HydrophobicContact CD-CE3 4.39Å; K902-W912 HydrophobicContact CG-CD2 3.95Å; K902-W912 HydrophobicContact CG-CE3 4.03Å; K902-W912 HydrophobicContact CG-CH2 3.76Å; K902-W912 HydrophobicContact CG-CZ2 3.64Å; K902-W912 HydrophobicContact CG-CZ3 3.94Å; K902-W912 PolarHBondContact O-NE1 3.28Å
903	K	97.1	Very high	96.6	Very high	143 Å²	143	65 Å²	65	62%	0.622	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	3.4	-179.9	-63.7	-178	-177.4	83.5	0	113.5	E899 V901	E899-K903 VanDerWaalsContact O-CD 3.32Å; E899-K903 WeakPolarHBondContact O-CD 3.4Å; E899-K903 WeakPolarHBondContact O-CG 3.48Å; E899-K903 PolarHBondContact O-NZ 3.05Å; E899-K903 IonicContact OE2-NZ 3.79Å; E899-K903 PolarHBondContact OE2-NZ 2.93Å; V901-K903 PolarHBondContact O-N 2.73Å; V901-K903 VanDerWaalsContact O-N 3.11Å
904	H	98.3	Very high	96.7	Very high	15 Å²	15	64.1 Å²	64.1	7%	0.069	30%	0.304	C	S	.	.	S	Bend	trans	-76.8	144.1	176.5	-169.4	-78.3	0	0	0	111.9	E874 S877 I878 R881 L891 V901 F906 F907	E874-H904 PolarHBondContact O-CE1 2.97Å; S877-H904 WeakPolarHBondContact CA-NE2 3.41Å; S877-H904 WeakPolarHBondContact CB-CE1 3.19Å; S877-H904 WeakPolarHBondContact CB-NE2 2.95Å; S877-H904 PolarHBondContact O-NE2 2.71Å; S877-H904 PolarHBondContact OG-CE1 3.36Å; S877-H904 VanDerWaalsContact OG-CE1 3.23Å; S877-H904 PolarHBondContact OG-NE2 3.01Å; I878-H904 HydrophobicContact CD1-CB 4.3Å; I878-H904 PolarHBondContact N-CE1 2.79Å; I878-H904 PolarHBondContact N-NE2 2.77Å; R881-H904 WeakPolarHBondContact CD-NE2 3.34Å; R881-H904 PolarHBondContact NE-NE2 2.78Å; L891-H904 HydrophobicContact CD2-CB 4.39Å; V901-H904 WeakPolarHBondContact O-CB 3.1Å; V901-H904 PolarHBondContact O-N 2.94Å; H904-F906 PolarHBondContact ND1-N 2.88Å; H904-F906 PolarHBondContact O-N 3.29Å; H904-F907 PolarHBondContact O-N 3.03Å
905	L	97.3	Very high	96.8	Very high	109 Å²	109	63.1 Å²	63.1	57%	0.571	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-58.5	-20	-175.9	-68	174.3	0	0	0	114.8	E874 F907 R908	E874-L905 HydrophobicContact CG-CB 3.96Å; L905-F907 PolarHBondContact O-N 3.23Å; L905-R908 VanDerWaalsContact O-CB 3.3Å; L905-R908 WeakPolarHBondContact O-CB 3.15Å; L905-R908 WeakPolarHBondContact O-CG 3.35Å; L905-R908 PolarHBondContact O-N 3.04Å
906	F	98.3	Very high	96.9	Very high	10 Å²	10	59.6 Å²	59.6	4%	0.044	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-59	-33.3	171.5	-175.7	-113.2	0	0	0	112.4	E747 V751 A754 I838 L842 A875 I878 H904	E747-F906 HydrophobicContact CG-CE2 4.04Å; V751-F906 HydrophobicContact CB-CE1 4.32Å; V751-F906 HydrophobicContact CB-CZ 4.34Å; V751-F906 HydrophobicContact CG2-CD1 4.01Å; V751-F906 HydrophobicContact CG2-CD2 3.89Å; V751-F906 HydrophobicContact CG2-CE1 3.65Å; V751-F906 HydrophobicContact CG2-CE2 3.51Å; V751-F906 HydrophobicContact CG2-CG 4.14Å; V751-F906 HydrophobicContact CG2-CZ 3.39Å; A754-F906 HydrophobicContact CB-CE1 4.36Å; I838-F906 HydrophobicContact CD1-CE1 4.1Å; I838-F906 HydrophobicContact CG2-CE1 4.26Å; I838-F906 HydrophobicContact CG2-CZ 3.9Å; L842-F906 HydrophobicContact CD1-CE2 4.42Å; A875-F906 HydrophobicContact CB-CD2 4.1Å; A875-F906 HydrophobicContact CB-CE2 3.86Å; I878-F906 HydrophobicContact CB-CB 4.05Å; I878-F906 HydrophobicContact CB-CG 4.34Å; I878-F906 HydrophobicContact CD1-CB 4.09Å; I878-F906 HydrophobicContact CD1-CD1 3.82Å; I878-F906 HydrophobicContact CD1-CG 4.27Å; I878-F906 HydrophobicContact CG2-CB 3.98Å; I878-F906 HydrophobicContact CG2-CD1 3.91Å; I878-F906 HydrophobicContact CG2-CD2 4.02Å; I878-F906 HydrophobicContact CG2-CE1 4.33Å; I878-F906 HydrophobicContact CG2-CE2 4.44Å; I878-F906 HydrophobicContact CG2-CG 3.73Å; H904-F906 PolarHBondContact ND1-N 2.88Å; H904-F906 PolarHBondContact O-N 3.29Å
907	F	98.1	Very high	96.9	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.013	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-99.3	12.9	178.5	-57.5	-71.9	0	0	0	113.7	V751 A754 A755 V758 I878 V901 H904 L905 N909 L910 W912	V751-F907 HydrophobicContact CG1-CD1 3.99Å; V751-F907 HydrophobicContact CG1-CE1 4.48Å; A754-F907 HydrophobicContact CB-CE1 4.08Å; A754-F907 HydrophobicContact CB-CZ 4.14Å; A755-F907 HydrophobicContact CB-CD1 4.18Å; A755-F907 HydrophobicContact CB-CE1 3.96Å; V758-F907 HydrophobicContact CG2-CE2 4.47Å; V758-F907 HydrophobicContact CG2-CZ 4.08Å; I878-F907 HydrophobicContact CD1-CD2 4.15Å; I878-F907 HydrophobicContact CD1-CE2 3.43Å; I878-F907 VanDerWaalsContact CD1-CE2 3.43Å; I878-F907 HydrophobicContact CD1-CZ 4.08Å; V901-F907 HydrophobicContact CG1-CE2 3.92Å; V901-F907 WeakPolarHBondContact O-CD2 3.22Å; H904-F907 PolarHBondContact O-N 3.03Å; L905-F907 PolarHBondContact O-N 3.23Å; F907-N909 PolarHBondContact O-N 3.03Å; F907-L910 HydrophobicContact CD1-CD2 4.37Å; F907-L910 WeakPolarHBondContact O-CB 3.47Å; F907-L910 PolarHBondContact O-N 3.09Å; F907-W912 HydrophobicContact CB-CH2 4.43Å; F907-W912 HydrophobicContact CB-CZ2 3.56Å; F907-W912 AromaticContact CD1-CH2 3.84Å; F907-W912 HydrophobicContact CD1-CH2 3.84Å; F907-W912 AromaticContact CD1-CZ2 3.83Å; F907-W912 HydrophobicContact CD1-CZ2 3.83Å; F907-W912 HydrophobicContact CD2-CH2 4.17Å; F907-W912 AromaticContact CD2-CZ2 3.85Å; F907-W912 HydrophobicContact CD2-CZ2 3.85Å; F907-W912 HydrophobicContact CE1-CH2 4.06Å; F907-W912 HydrophobicContact CE1-CZ2 4.47Å; F907-W912 HydrophobicContact CE2-CH2 4.35Å; F907-W912 HydrophobicContact CE2-CZ2 4.46Å; F907-W912 AromaticContact CG-CH2 3.91Å; F907-W912 HydrophobicContact CG-CH2 3.91Å; F907-W912 AromaticContact CG-CZ2 3.49Å; F907-W912 HydrophobicContact CG-CZ2 3.49Å; F907-W912 VanDerWaalsContact CG-CZ2 3.49Å; F907-W912 HydrophobicContact CZ-CH2 4.3Å
908	R	93.7	Very high	96.8	Very high	150 Å²	150	56.6 Å²	56.6	57%	0.566	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.5	-169.8	65.1	173.1	168.8	-140.4	-19.2	116.8	E874 L905	E874-R908 IonicContact OE1-CZ 3.89Å; E874-R908 IonicContact OE1-NH1 3.89Å; E874-R908 PolarHBondContact OE1-NH1 3.34Å; E874-R908 IonicContact OE1-NH2 2.75Å; E874-R908 PolarHBondContact OE1-NH2 2.78Å; L905-R908 VanDerWaalsContact O-CB 3.3Å; L905-R908 WeakPolarHBondContact O-CB 3.15Å; L905-R908 WeakPolarHBondContact O-CG 3.35Å; L905-R908 PolarHBondContact O-N 3.04Å
909	N	90.8	Very high	96.7	Very high	150 Å²	150	64.6 Å²	64.6	80%	0.802	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	6.4	-175.8	-70	-11	0	0	0	112.4	F907	F907-N909 PolarHBondContact O-N 3.03Å
910	L	95.3	Very high	96.6	Very high	30 Å²	30	63.4 Å²	63.4	16%	0.157	31%	0.312	C	S	.	.			trans	-95.9	128.4	-173.3	-171.9	74	0	0	0	112.1	A755 F907 W912 L915 V920	A755-L910 HydrophobicContact CB-CD2 3.28Å; F907-L910 HydrophobicContact CD1-CD2 4.37Å; F907-L910 WeakPolarHBondContact O-CB 3.47Å; F907-L910 PolarHBondContact O-N 3.09Å; L910-W912 HydrophobicContact CD2-CD2 3.76Å; L910-W912 HydrophobicContact CD2-CE3 3.81Å; L910-W912 HydrophobicContact CD2-CG 4.43Å; L910-W912 HydrophobicContact CD2-CH2 3.85Å; L910-W912 HydrophobicContact CD2-CZ2 3.8Å; L910-W912 HydrophobicContact CD2-CZ3 3.86Å; L910-W912 PolarHBondContact O-N 3.28Å; L910-L915 HydrophobicContact CD1-CD2 4.32Å; L910-L915 HydrophobicContact CD2-CD2 4Å; L910-V920 HydrophobicContact CD1-CG1 4.44Å
911	D	96.6	Very high	96.5	Very high	91 Å²	91	69.6 Å²	69.6	49%	0.487	34%	0.338	S	S	.	.			trans	-81.5	103.7	162.7	179.1	3.1	0	0	0	109.2	D913 G914 L915 V920	D911-D913 PolarHBondContact OD1-N 3.49Å; D911-G914 VanDerWaalsContact CG-N 3.27Å; D911-G914 PolarHBondContact OD1-N 3.28Å; D911-G914 WeakPolarHBondContact OD2-CA 3.41Å; D911-G914 PolarHBondContact OD2-N 2.65Å; D911-L915 VanDerWaalsContact O-CB 3.27Å; D911-L915 WeakPolarHBondContact O-CB 3.36Å; D911-L915 PolarHBondContact O-N 2.96Å; D911-V920 HydrophobicContact CB-CG2 4.21Å
912	W	97.8	Very high	96.3	Very high	34 Å²	34	70.1 Å²	70.1	13%	0.129	34%	0.342	C	S	.	.	H	α-helix	trans	-69.1	-38	-178.9	-70.3	98.8	0	0	0	112.7	A755 V758 L759 K902 F907 L910 L915 L916	A755-W912 HydrophobicContact CB-CH2 3.8Å; A755-W912 HydrophobicContact CB-CZ3 3.68Å; V758-W912 HydrophobicContact CB-CH2 4.06Å; V758-W912 HydrophobicContact CB-CZ3 4.01Å; V758-W912 HydrophobicContact CG1-CH2 3.76Å; V758-W912 HydrophobicContact CG1-CZ3 3.75Å; L759-W912 HydrophobicContact CD1-CE3 4.08Å; L759-W912 HydrophobicContact CD2-CE3 3.96Å; L759-W912 HydrophobicContact CD2-CZ3 4.48Å; L759-W912 HydrophobicContact CG-CE3 3.87Å; L759-W912 HydrophobicContact CG-CZ3 4.08Å; K902-W912 VanDerWaalsContact CA-CZ2 3.49Å; K902-W912 HydrophobicContact CB-CD2 4.27Å; K902-W912 HydrophobicContact CB-CH2 4.35Å; K902-W912 HydrophobicContact CB-CZ2 3.73Å; K902-W912 HydrophobicContact CD-CD2 4.4Å; K902-W912 HydrophobicContact CD-CE3 4.39Å; K902-W912 HydrophobicContact CG-CD2 3.95Å; K902-W912 HydrophobicContact CG-CE3 4.03Å; K902-W912 HydrophobicContact CG-CH2 3.76Å; K902-W912 HydrophobicContact CG-CZ2 3.64Å; K902-W912 HydrophobicContact CG-CZ3 3.94Å; K902-W912 PolarHBondContact O-NE1 3.28Å; F907-W912 HydrophobicContact CB-CH2 4.43Å; F907-W912 HydrophobicContact CB-CZ2 3.56Å; F907-W912 AromaticContact CD1-CH2 3.84Å; F907-W912 HydrophobicContact CD1-CH2 3.84Å; F907-W912 AromaticContact CD1-CZ2 3.83Å; F907-W912 HydrophobicContact CD1-CZ2 3.83Å; F907-W912 HydrophobicContact CD2-CH2 4.17Å; F907-W912 AromaticContact CD2-CZ2 3.85Å; F907-W912 HydrophobicContact CD2-CZ2 3.85Å; F907-W912 HydrophobicContact CE1-CH2 4.06Å; F907-W912 HydrophobicContact CE1-CZ2 4.47Å; F907-W912 HydrophobicContact CE2-CH2 4.35Å; F907-W912 HydrophobicContact CE2-CZ2 4.46Å; F907-W912 AromaticContact CG-CH2 3.91Å; F907-W912 HydrophobicContact CG-CH2 3.91Å; F907-W912 AromaticContact CG-CZ2 3.49Å; F907-W912 HydrophobicContact CG-CZ2 3.49Å; F907-W912 VanDerWaalsContact CG-CZ2 3.49Å; F907-W912 HydrophobicContact CZ-CH2 4.3Å; L910-W912 HydrophobicContact CD2-CD2 3.76Å; L910-W912 HydrophobicContact CD2-CE3 3.81Å; L910-W912 HydrophobicContact CD2-CG 4.43Å; L910-W912 HydrophobicContact CD2-CH2 3.85Å; L910-W912 HydrophobicContact CD2-CZ2 3.8Å; L910-W912 HydrophobicContact CD2-CZ3 3.86Å; L910-W912 PolarHBondContact O-N 3.28Å; W912-L915 PolarHBondContact O-N 2.94Å; W912-L916 WeakPolarHBondContact O-CB 3.3Å; W912-L916 PolarHBondContact O-N 3.38Å
913	D	97.1	Very high	96.1	Very high	127 Å²	127	72 Å²	72	68%	0.679	36%	0.357	S	S	*	.	H	α-helix	trans	-76.6	-38.3	-178.8	-59.5	-34.7	0	0	0	110.3	D911 A917	D911-D913 PolarHBondContact OD1-N 3.49Å; D913-A917 VanDerWaalsContact O-CB 3.26Å; D913-A917 WeakPolarHBondContact O-CB 3.38Å; D913-A917 PolarHBondContact O-N 2.97Å
914	G	97	Very high	95.9	Very high	3 Å²	3	68.2 Å²	68.2	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-35.6	168.9	0	0	0	0	0	113.1	D911 K918 K919 V920	D911-G914 VanDerWaalsContact CG-N 3.27Å; D911-G914 PolarHBondContact OD1-N 3.28Å; D911-G914 WeakPolarHBondContact OD2-CA 3.41Å; D911-G914 PolarHBondContact OD2-N 2.65Å; G914-K918 PolarHBondContact O-N 2.84Å; G914-K919 WeakPolarHBondContact O-CA 3.31Å; G914-K919 WeakPolarHBondContact O-CB 3.1Å; G914-K919 PolarHBondContact O-N 3.09Å; G914-V920 PolarHBondContact O-N 3.47Å
915	L	97.5	Very high	95.7	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-66	-52.6	173.3	179.3	61.1	0	0	0	110.3	F710 F752 A755 L759 Y786 L910 D911 W912 A917 K918 V920	F710-L915 HydrophobicContact CE2-CG 4.02Å; F710-L915 HydrophobicContact CZ-CD1 3.89Å; F710-L915 HydrophobicContact CZ-CG 3.82Å; F710-L915 WeakPolarHBondContact CZ-O 3.5Å; F752-L915 HydrophobicContact CD2-CD1 4.2Å; F752-L915 HydrophobicContact CE2-CD1 3.54Å; F752-L915 HydrophobicContact CZ-CD1 3.97Å; A755-L915 HydrophobicContact CB-CD2 3.53Å; L759-L915 HydrophobicContact CD1-CB 4.39Å; L759-L915 HydrophobicContact CD1-CD2 3.9Å; L759-L915 HydrophobicContact CD1-CG 4.06Å; Y786-L915 HydrophobicContact CD1-CD1 4.48Å; Y786-L915 HydrophobicContact CE1-CD1 4.34Å; L910-L915 HydrophobicContact CD1-CD2 4.32Å; L910-L915 HydrophobicContact CD2-CD2 4Å; D911-L915 VanDerWaalsContact O-CB 3.27Å; D911-L915 WeakPolarHBondContact O-CB 3.36Å; D911-L915 PolarHBondContact O-N 2.96Å; W912-L915 PolarHBondContact O-N 2.94Å; L915-A917 PolarHBondContact O-N 2.83Å; L915-K918 WeakPolarHBondContact O-CA 3.03Å; L915-K918 PolarHBondContact O-N 3.46Å; L915-V920 HydrophobicContact CB-CB 4.42Å; L915-V920 HydrophobicContact CB-CG2 4.19Å; L915-V920 HydrophobicContact CD1-CB 4.24Å
916	L	96.4	Very high	95.4	Very high	72 Å²	72	66.3 Å²	66.3	38%	0.377	33%	0.334	S	S	.	.	H	α-helix	trans	-56.9	-35.2	178.3	-172.7	63.9	0	0	0	112.3	P709 F710 L759 W912 K918	P709-L916 HydrophobicContact CG-CD1 3.87Å; F710-L916 HydrophobicContact CE2-CD1 4.36Å; L759-L916 HydrophobicContact CD1-CB 4.18Å; L759-L916 HydrophobicContact CD1-CD1 4.43Å; W912-L916 WeakPolarHBondContact O-CB 3.3Å; W912-L916 PolarHBondContact O-N 3.38Å; L916-K918 VanDerWaalsContact C-N 3.27Å; L916-K918 PolarHBondContact O-N 3.21Å
917	A	96.4	Very high	95	Very high	53 Å²	53	71 Å²	71	44%	0.438	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	12.1	175	0	0	0	0	0	115	D913 L915 K919	D913-A917 VanDerWaalsContact O-CB 3.26Å; D913-A917 WeakPolarHBondContact O-CB 3.38Å; D913-A917 PolarHBondContact O-N 2.97Å; L915-A917 PolarHBondContact O-N 2.83Å; A917-K919 HydrophobicContact CB-CD 4.01Å; A917-K919 HydrophobicContact CB-CG 4.18Å; A917-K919 PolarHBondContact O-N 2.71Å
918	K	96.5	Very high	94.7	Very high	63 Å²	63	73.2 Å²	73.2	27%	0.274	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	36.6	-175.9	-76.3	-168.5	159.2	-160.7	0	114.6	D782 E784 Y786 G914 L915 L916	D782-K918 IonicContact OD2-NZ 2.71Å; D782-K918 PolarHBondContact OD2-NZ 2.78Å; E784-K918 IonicContact OE2-NZ 2.69Å; E784-K918 PolarHBondContact OE2-NZ 2.64Å; Y786-K918 HydrophobicContact CD1-CG 4.4Å; Y786-K918 HydrophobicContact CD2-CD 3.86Å; Y786-K918 HydrophobicContact CD2-CG 4.12Å; Y786-K918 HydrophobicContact CE1-CB 4.39Å; Y786-K918 HydrophobicContact CE1-CG 4.08Å; Y786-K918 HydrophobicContact CE2-CB 4.05Å; Y786-K918 HydrophobicContact CE2-CD 3.71Å; Y786-K918 HydrophobicContact CE2-CG 3.76Å; Y786-K918 HydrophobicContact CG-CD 4.49Å; Y786-K918 HydrophobicContact CG-CG 4.43Å; Y786-K918 WeakPolarHBondContact OH-CA 3.5Å; Y786-K918 PolarHBondContact OH-O 3.14Å; G914-K918 PolarHBondContact O-N 2.84Å; L915-K918 WeakPolarHBondContact O-CA 3.03Å; L915-K918 PolarHBondContact O-N 3.46Å; L916-K918 VanDerWaalsContact C-N 3.27Å; L916-K918 PolarHBondContact O-N 3.21Å
919	K	95.5	Very high	94.4	Very high	168 Å²	168	74 Å²	74	73%	0.73	39%	0.385	S	S	*	.			trans	-97.4	-25.2	176.3	-62.8	169.6	-174.3	164	0	113.1	G914 A917 K921	G914-K919 WeakPolarHBondContact O-CA 3.31Å; G914-K919 WeakPolarHBondContact O-CB 3.1Å; G914-K919 PolarHBondContact O-N 3.09Å; A917-K919 HydrophobicContact CB-CD 4.01Å; A917-K919 HydrophobicContact CB-CG 4.18Å; A917-K919 PolarHBondContact O-N 2.71Å; K919-K921 PolarHBondContact O-N 3.25Å
920	V	95.5	Very high	94.2	Very high	37 Å²	37	68.6 Å²	68.6	22%	0.224	37%	0.365	C	S	.	.	S	Bend	trans	-78.6	107.7	174.8	-179.5	0	0	0	0	108.7	F752 Y786 L910 D911 G914 L915	F752-V920 HydrophobicContact CD2-CG1 4.12Å; F752-V920 HydrophobicContact CE2-CB 4.35Å; F752-V920 HydrophobicContact CE2-CG1 3.86Å; F752-V920 WeakPolarHBondContact CE2-O 3.09Å; Y786-V920 WeakPolarHBondContact CE1-O 3.33Å; Y786-V920 PolarHBondContact OH-O 3.36Å; L910-V920 HydrophobicContact CD1-CG1 4.44Å; D911-V920 HydrophobicContact CB-CG2 4.21Å; G914-V920 PolarHBondContact O-N 3.47Å; L915-V920 HydrophobicContact CB-CB 4.42Å; L915-V920 HydrophobicContact CB-CG2 4.19Å; L915-V920 HydrophobicContact CD1-CB 4.24Å
921	K	94.3	Very high	93.6	Very high	175 Å²	175	70.2 Å²	70.2	76%	0.761	38%	0.383	S	S	*	.			trans	-57.3	131.4	-176.9	-175.4	-175.8	173.6	-178.3	0	111.9	K919	K919-K921 PolarHBondContact O-N 3.25Å
922	P	95.4	Very high	93	Very high	12 Å²	12	69.3 Å²	69.3	8%	0.078	38%	0.378	C	S	.	.			trans	-57.5	143.8	173.1	-29.6	38.2	0	0	0	114.4	F752 E784 Y786 F924	F752-P922 HydrophobicContact CE1-CB 3.98Å; F752-P922 HydrophobicContact CE1-CG 4.22Å; F752-P922 HydrophobicContact CZ-CB 3.99Å; F752-P922 HydrophobicContact CZ-CG 3.86Å; E784-P922 WeakPolarHBondContact O-CG 3.29Å; Y786-P922 HydrophobicContact CD1-CG 3.98Å; Y786-P922 HydrophobicContact CD2-CG 3.94Å; Y786-P922 HydrophobicContact CE1-CG 3.79Å; Y786-P922 HydrophobicContact CE2-CG 3.77Å; Y786-P922 HydrophobicContact CG-CG 4.04Å; P922-F924 VanDerWaalsContact C-N 3.29Å; P922-F924 PolarHBondContact O-N 3.04Å
923	P	93.6	Very high	92.6	Very high	68 Å²	68	68.8 Å²	68.8	44%	0.442	38%	0.378	S	S	.	.	S	Bend	trans	-76.4	-17.2	-179.9	31.9	-36.4	0	0	0	113.2	R749 F752	R749-P923 HydrophobicContact CB-CB 4.4Å; R749-P923 HydrophobicContact CB-CG 4.18Å; R749-P923 HydrophobicContact CG-CG 4.02Å; F752-P923 HydrophobicContact CB-CG 4.07Å; F752-P923 HydrophobicContact CD1-CG 3.85Å; F752-P923 HydrophobicContact CG-CG 4.06Å
924	F	93.3	Very high	92.2	Very high	62 Å²	62	64.2 Å²	64.2	27%	0.272	35%	0.354	S	S	.	.			trans	-145.8	138.5	177.8	167	-91.2	0	0	0	107.7	H739 L781 G785 P922 P926	H739-F924 AromaticContact CE1-CE1 3.56Å; H739-F924 AromaticContact CE1-CZ 3.61Å; H739-F924 AromaticContact ND1-CE1 3.53Å; H739-F924 AromaticContact ND1-CZ 3.48Å; H739-F924 WeakPolarHBondContact ND1-CZ 3.45Å; L781-F924 HydrophobicContact CD1-CD1 3.93Å; L781-F924 HydrophobicContact CD1-CE1 3.84Å; G785-F924 WeakPolarHBondContact CA-O 3.4Å; P922-F924 VanDerWaalsContact C-N 3.29Å; P922-F924 PolarHBondContact O-N 3.04Å; F924-P926 HydrophobicContact CE1-CB 4.12Å
925	V	93.6	Very high	91.8	Very high	76 Å²	76	67.2 Å²	67.2	46%	0.461	38%	0.375	S	S	.	.			trans	-120.1	127.8	174.4	-173.5	0	0	0	0	106.5	E784	E784-V925 WeakPolarHBondContact O-CG2 3.22Å
926	P	91.1	Very high	91.4	Very high	8 Å²	8	68.2 Å²	68.2	5%	0.052	38%	0.381	C	S	.	.			trans	-66.6	145.2	-179.6	27.8	-34.6	0	0	0	111.5	D782 F924 I928	D782-P926 WeakPolarHBondContact O-CG 3.48Å; F924-P926 HydrophobicContact CE1-CB 4.12Å; P926-I928 HydrophobicContact CB-CD1 4.46Å; P926-I928 HydrophobicContact CB-CG1 4.38Å; P926-I928 HydrophobicContact CG-CD1 3.99Å; P926-I928 HydrophobicContact CG-CG1 4.41Å
927	T	90.4	Very high	90.9	Very high	108 Å²	108	65.6 Å²	65.6	66%	0.663	37%	0.366	S	S	*	.			trans	-74.8	125.9	169.9	-55.5	0	0	0	0	108.7	N936	T927-N936 PolarHBondContact O-ND2 3.28Å
928	I	91.6	Very high	90.4	Very high	51 Å²	51	65.8 Å²	65.8	26%	0.262	36%	0.36	S	S	.	.			trans	-138.4	121.6	-179.2	-61	174.7	0	0	0	107.8	A732 T783 P926 G930 D933	A732-I928 HydrophobicContact CB-CD1 3.83Å; T783-I928 HydrophobicContact CG2-CD1 3.83Å; P926-I928 HydrophobicContact CB-CD1 4.46Å; P926-I928 HydrophobicContact CB-CG1 4.38Å; P926-I928 HydrophobicContact CG-CD1 3.99Å; P926-I928 HydrophobicContact CG-CG1 4.41Å; I928-G930 WeakPolarHBondContact CG2-O 3.33Å; I928-D933 HydrophobicContact CG2-CB 4.24Å
929	Q	85.9	Confident	89.8	Confident	165 Å²	165	68.6 Å²	68.6	77%	0.771	38%	0.378	S	S	*	.	S	Bend	trans	-86.9	-18.5	-175.2	-60.8	176.5	58.8	0	0	113.1	D933	Q929-D933 HydrophobicContact CB-CB 4.46Å; Q929-D933 WeakPolarHBondContact CB-OD2 3.43Å; Q929-D933 WeakPolarHBondContact CG-OD2 3.24Å; Q929-D933 PolarHBondContact N-OD2 2.8Å
930	G	86.6	Confident	89.3	Confident	37 Å²	37	65.9 Å²	65.9	38%	0.381	37%	0.368	S	S	.	.	S	Bend	trans	176.7	174.7	177.9	0	0	0	0	0	112.2	I928 N932 D933	I928-G930 WeakPolarHBondContact CG2-O 3.33Å; G930-N932 PolarHBondContact O-N 3.46Å; G930-N932 VanDerWaalsContact O-N 3.16Å; G930-D933 VanDerWaalsContact O-CB 3.23Å; G930-D933 WeakPolarHBondContact O-CB 3.2Å; G930-D933 PolarHBondContact O-N 3.01Å
931	A	83.6	Confident	88.9	Confident	65 Å²	65	64.8 Å²	64.8	54%	0.537	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.5	-175.2	0	0	0	0	0	114.3	M673	M673-A931 HydrophobicContact CG-CB 3.96Å
932	N	84.8	Confident	88.6	Confident	72 Å²	72	57.8 Å²	57.8	39%	0.385	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	10.7	179.9	-56.6	54	0	0	0	112.3	V651 E666 M673 G930	V651-N932 HydrophobicContact CG1-CB 4.28Å; E666-N932 PolarHBondContact OE2-ND2 3.02Å; M673-N932 HydrophobicContact CE-CB 4.48Å; G930-N932 PolarHBondContact O-N 3.46Å; G930-N932 VanDerWaalsContact O-N 3.16Å
933	D	87.6	Confident	88.2	Confident	23 Å²	23	61.9 Å²	61.9	12%	0.123	36%	0.361	C	S	.	.			trans	-70.4	134.6	176.2	-170.6	-1	0	0	0	110.4	Y730 I928 Q929 G930 S935	Y730-D933 PolarHBondContact OH-O 3.42Å; I928-D933 HydrophobicContact CG2-CB 4.24Å; Q929-D933 HydrophobicContact CB-CB 4.46Å; Q929-D933 WeakPolarHBondContact CB-OD2 3.43Å; Q929-D933 WeakPolarHBondContact CG-OD2 3.24Å; Q929-D933 PolarHBondContact N-OD2 2.8Å; G930-D933 VanDerWaalsContact O-CB 3.23Å; G930-D933 WeakPolarHBondContact O-CB 3.2Å; G930-D933 PolarHBondContact O-N 3.01Å; D933-S935 VanDerWaalsContact CG-OG 3.28Å; D933-S935 VanDerWaalsContact OD1-CB 3.26Å; D933-S935 WeakPolarHBondContact OD1-CB 3.5Å; D933-S935 PolarHBondContact OD1-N 2.83Å; D933-S935 PolarHBondContact OD1-OG 3.49Å; D933-S935 PolarHBondContact OD2-OG 3.41Å
934	V	89.5	Confident	87.9	Confident	30 Å²	30	61.2 Å²	61.2	18%	0.182	35%	0.352	C	S	.	.			trans	-128	14.3	179.6	-64	0	0	0	0	112.3	A652 L654 L664 N936 F937 T942	A652-V934 HydrophobicContact CB-CG1 3.94Å; L654-V934 HydrophobicContact CD2-CG1 3.88Å; L664-V934 HydrophobicContact CD2-CG1 3.52Å; V934-N936 PolarHBondContact O-N 3.25Å; V934-N936 VanDerWaalsContact O-N 3.11Å; V934-F937 HydrophobicContact CB-CD2 4.25Å; V934-F937 WeakPolarHBondContact O-CB 3.46Å; V934-F937 PolarHBondContact O-N 3.05Å; V934-T942 HydrophobicContact CB-CG2 3.88Å; V934-T942 HydrophobicContact CG2-CG2 3.76Å
935	S	88.2	Confident	87.7	Confident	67 Å²	67	61 Å²	61	47%	0.469	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.2	-180	56.2	0	0	0	0	115	D933	D933-S935 VanDerWaalsContact CG-OG 3.28Å; D933-S935 VanDerWaalsContact OD1-CB 3.26Å; D933-S935 WeakPolarHBondContact OD1-CB 3.5Å; D933-S935 PolarHBondContact OD1-N 2.83Å; D933-S935 PolarHBondContact OD1-OG 3.49Å; D933-S935 PolarHBondContact OD2-OG 3.41Å
936	N	88.6	Confident	87.4	Confident	21 Å²	21	59.3 Å²	59.3	11%	0.112	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	7.7	170.9	-59.8	-58.6	0	0	0	113.6	A732 G733 G734 T927 V934	A732-N936 PolarHBondContact O-ND2 3.29Å; G733-N936 WeakPolarHBondContact O-CB 2.96Å; G734-N936 WeakPolarHBondContact CA-O 3.48Å; T927-N936 PolarHBondContact O-ND2 3.28Å; V934-N936 PolarHBondContact O-N 3.25Å; V934-N936 VanDerWaalsContact O-N 3.11Å
937	F	87.5	Confident	87.3	Confident	16 Å²	16	64.1 Å²	64.1	7%	0.07	38%	0.376	C	S	.	.	S	Bend	trans	-120.5	157.5	-179.8	-62.7	-96.4	0	0	0	111.3	L654 Y730 A731 V934 D939 T942	L654-F937 HydrophobicContact CB-CD1 4.08Å; L654-F937 HydrophobicContact CB-CE1 4.14Å; L654-F937 HydrophobicContact CD2-CD1 3.94Å; L654-F937 HydrophobicContact CD2-CD2 3.97Å; L654-F937 HydrophobicContact CD2-CE1 3.94Å; L654-F937 HydrophobicContact CD2-CE2 3.97Å; L654-F937 HydrophobicContact CD2-CG 3.97Å; L654-F937 HydrophobicContact CD2-CZ 3.96Å; L654-F937 HydrophobicContact CG-CE1 4.43Å; Y730-F937 AromaticContact CE2-CE2 3.86Å; Y730-F937 HydrophobicContact CE2-CE2 3.86Å; Y730-F937 AromaticContact CE2-CZ 3.7Å; Y730-F937 HydrophobicContact CE2-CZ 3.7Å; Y730-F937 VanDerWaalsContact OH-CE2 3.31Å; Y730-F937 WeakPolarHBondContact OH-CE2 3.44Å; A731-F937 WeakPolarHBondContact O-CZ 3.39Å; V934-F937 HydrophobicContact CB-CD2 4.25Å; V934-F937 WeakPolarHBondContact O-CB 3.46Å; V934-F937 PolarHBondContact O-N 3.05Å; F937-D939 PolarHBondContact O-N 3.16Å; F937-T942 HydrophobicContact CB-CG2 3.83Å
938	D	85.3	Confident	86.9	Confident	58 Å²	58	60.5 Å²	60.5	31%	0.31	35%	0.353	S	S	.	.			trans	-66.4	126.2	-176.9	-177.5	-5.2	0	0	0	112.8	E940 F941 T942	D938-E940 PolarHBondContact O-N 2.92Å; D938-E940 WeakPolarHBondContact OD1-CB 3.43Å; D938-E940 PolarHBondContact OD1-N 3.33Å; D938-F941 HydrophobicContact CB-CD2 3.79Å; D938-F941 HydrophobicContact CB-CE2 3.66Å; D938-F941 HydrophobicContact CB-CZ 4.45Å; D938-F941 PolarHBondContact O-N 3.16Å; D938-F941 WeakPolarHBondContact OD2-CE2 3.41Å; D938-T942 PolarHBondContact O-N 2.9Å
939	D	83.4	Confident	86.2	Confident	122 Å²	122	60.3 Å²	60.3	65%	0.652	35%	0.354	S	S	*	.	H	α-helix	trans	-57.4	-24.2	175.4	-80.3	-21.3	0	0	0	113.6	F937 F941 T942 S943	F937-D939 PolarHBondContact O-N 3.16Å; D939-F941 PolarHBondContact O-N 3.08Å; D939-T942 WeakPolarHBondContact CA-OG1 3.38Å; D939-T942 PolarHBondContact OD1-OG1 2.88Å; D939-S943 WeakPolarHBondContact O-CB 3.43Å; D939-S943 PolarHBondContact O-N 3.12Å; D939-S943 PolarHBondContact O-OG 3.06Å
940	E	85.3	Confident	85.4	Confident	110 Å²	110	56.1 Å²	56.1	51%	0.514	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-25.5	171.6	-166	178.4	136.1	0	0	111.1	K488 D938	K488-E940 IonicContact NZ-OE2 3.89Å; K488-E940 PolarHBondContact NZ-OE2 3.26Å; D938-E940 PolarHBondContact O-N 2.92Å; D938-E940 WeakPolarHBondContact OD1-CB 3.43Å; D938-E940 PolarHBondContact OD1-N 3.33Å
941	F	86.5	Confident	84.3	Confident	15 Å²	15	55.6 Å²	55.6	7%	0.066	33%	0.331	C	S	.	.	H	α-helix	trans	-102.6	-47.6	177	-43.3	-41.8	0	0	0	112.5	V653 R656 D938 D939 S943 E944	V653-F941 WeakPolarHBondContact CB-O 3.5Å; V653-F941 HydrophobicContact CG1-CB 4.3Å; V653-F941 CarbonylContact O-C 3.46Å; V653-F941 VanDerWaalsContact O-C 3.31Å; R656-F941 HydrophobicContact CB-CD1 4.15Å; R656-F941 HydrophobicContact CB-CE1 4.39Å; D938-F941 HydrophobicContact CB-CD2 3.79Å; D938-F941 HydrophobicContact CB-CE2 3.66Å; D938-F941 HydrophobicContact CB-CZ 4.45Å; D938-F941 PolarHBondContact O-N 3.16Å; D938-F941 WeakPolarHBondContact OD2-CE2 3.41Å; D939-F941 PolarHBondContact O-N 3.08Å; F941-S943 PolarHBondContact O-N 3.44Å; F941-E944 WeakPolarHBondContact O-CB 3.48Å; F941-E944 PolarHBondContact O-N 3.18Å
942	T	88.8	Confident	83.2	Confident	28 Å²	28	63.9 Å²	63.9	17%	0.172	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-24.1	-173.9	65.8	0	0	0	0	113	V653 V934 F937 D938 D939	V653-T942 WeakPolarHBondContact O-CA 3.3Å; V653-T942 PolarHBondContact O-N 3.38Å; V934-T942 HydrophobicContact CB-CG2 3.88Å; V934-T942 HydrophobicContact CG2-CG2 3.76Å; F937-T942 HydrophobicContact CB-CG2 3.83Å; D938-T942 PolarHBondContact O-N 2.9Å; D939-T942 WeakPolarHBondContact CA-OG1 3.38Å; D939-T942 PolarHBondContact OD1-OG1 2.88Å
943	S	86.4	Confident	82.1	Confident	98 Å²	98	68.4 Å²	68.4	69%	0.685	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.4	173.5	68.1	0	0	0	0	115.5	D939 F941	D939-S943 WeakPolarHBondContact O-CB 3.43Å; D939-S943 PolarHBondContact O-N 3.12Å; D939-S943 PolarHBondContact O-OG 3.06Å; F941-S943 PolarHBondContact O-N 3.44Å
944	E	88.8	Confident	80.8	Confident	53 Å²	53	72.1 Å²	72.1	25%	0.248	39%	0.393	C	S	.	.	S	Bend	trans	-70	144.7	168.6	-81.2	-160.5	-152.9	0	0	110.9	V653 R656 K661 F941	V653-E944 HydrophobicContact CB-CB 4.29Å; V653-E944 HydrophobicContact CG2-CB 3.85Å; V653-E944 WeakPolarHBondContact CG2-O 2.97Å; R656-E944 IonicContact CZ-OE1 3.42Å; R656-E944 IonicContact NH1-OE1 3.84Å; R656-E944 PolarHBondContact NH1-OE1 3.25Å; R656-E944 IonicContact NH1-OE2 3.47Å; K661-E944 VanDerWaalsContact CE-OE2 3.26Å; K661-E944 WeakPolarHBondContact CE-OE2 3.27Å; K661-E944 IonicContact NZ-OE2 3.45Å; K661-E944 PolarHBondContact NZ-OE2 2.77Å; F941-E944 WeakPolarHBondContact O-CB 3.48Å; F941-E944 PolarHBondContact O-N 3.18Å
945	A	87.5	Confident	79.8	Confident	58 Å²	58	76.9 Å²	76.9	48%	0.479	41%	0.408	S	S	.	.			trans	-58.9	134.8	173.5	0	0	0	0	0	111.6	V653 K661 I947	V653-A945 WeakPolarHBondContact CG2-O 3.41Å; K661-A945 PolarHBondContact NZ-O 3.02Å; A945-I947 HydrophobicContact CB-CD1 4.47Å; A945-I947 HydrophobicContact CB-CG1 4.2Å; A945-I947 PolarHBondContact O-N 3.33Å
946	P	89.1	Confident	79.1	Confident	41 Å²	41	80.1 Å²	80.1	27%	0.266	42%	0.424	S	S	.	.	S	Bend	trans	-78.7	51.7	-175	34.7	-39.1	0	0	0	112.6	C650 L663	C650-P946 HydrophobicContact CB-CB 4.02Å; C650-P946 WeakPolarHBondContact CB-O 3.48Å; L663-P946 HydrophobicContact CD2-CB 4.35Å
947	I	87.1	Confident	79	Confident	109 Å²	109	79.9 Å²	79.9	56%	0.559	42%	0.423	S	S	*	.	S	Bend	trans	-113.1	145.9	-180	60	174.2	0	0	0	111	A945 T949	A945-I947 HydrophobicContact CB-CD1 4.47Å; A945-I947 HydrophobicContact CB-CG1 4.2Å; A945-I947 PolarHBondContact O-N 3.33Å; I947-T949 PolarHBondContact O-N 3.49Å
948	L	83	Confident	79.1	Confident	31 Å²	31	81.3 Å²	81.3	16%	0.162	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-57.3	125.8	165.8	-69.7	-171.2	0	0	0	108.7	L645 L663 A678 H723 P950	L645-L948 HydrophobicContact CD1-CD1 4.21Å; L645-L948 HydrophobicContact CD1-CG 4.41Å; L645-L948 HydrophobicContact CD2-CD1 3.51Å; L645-L948 HydrophobicContact CD2-CG 3.93Å; L645-L948 HydrophobicContact CG-CD1 4.48Å; L663-L948 HydrophobicContact CD1-CD2 3.89Å; A678-L948 HydrophobicContact CB-CD2 3.34Å; H723-L948 HydrophobicContact CB-CD1 4.43Å; L948-P950 WeakPolarHBondContact O-CD 3.42Å
949	T	76.5	Confident	79.3	Confident	47 Å²	47	83.1 Å²	83.1	29%	0.288	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-80.3	121.6	178.2	-52.6	0	0	0	0	108.2	K680 H723 I947	K680-T949 WeakPolarHBondContact CE-O 3.42Å; H723-T949 PolarHBondContact NE2-O 2.85Å; I947-T949 PolarHBondContact O-N 3.49Å
950	P	69.6	Low	79.6	Confident	78 Å²	78	84.7 Å²	84.7	51%	0.506	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-64.5	161.5	178.2	26.1	-34.3	0	0	0	111.5	K680 L948	K680-P950 WeakPolarHBondContact CE-O 3.19Å; K680-P950 PolarHBondContact NZ-O 2.87Å; L948-P950 WeakPolarHBondContact O-CD 3.42Å
951	P	63.1	Low	79.9	Confident	26 Å²	26	81.2 Å²	81.2	17%	0.169	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-48.9	145.8	166.6	-27.3	35.5	0	0	0	111.8	E722 E953	E722-P951 HydrophobicContact CG-CG 4.45Å; E722-P951 WeakPolarHBondContact OE2-CD 3.48Å; P951-E953 VanDerWaalsContact C-N 3.27Å; P951-E953 WeakPolarHBondContact CB-O 3.09Å
952	R	60.8	Low	80.1	Confident	238 Å²	238	82.8 Å²	82.8	90%	0.898	45%	0.446	S	S	*	.	S	Bend	trans	-70	-30.9	175.1	-85.8	-176.5	167.9	171.7	-2.2	112.2
953	E	61.9	Low	80.3	Confident	168 Å²	168	86.8 Å²	86.8	79%	0.785	47%	0.467	S	S	*	.	S	Bend	trans	-130.7	117.7	173.4	-69.2	172.8	-161	0	0	105.5	P951 R955	P951-E953 VanDerWaalsContact C-N 3.27Å; P951-E953 WeakPolarHBondContact CB-O 3.09Å; E953-R955 VanDerWaalsContact C-N 3.29Å; E953-R955 PolarHBondContact O-N 2.69Å
954	P	60.1	Low	80.5	Confident	101 Å²	101	86.4 Å²	86.4	66%	0.656	46%	0.457	S	S	*	.			trans	-68.8	80.4	-179.7	-24.3	36.3	0	0	0	113	V956	P954-V956 PolarHBondContact O-N 2.93Å
955	R	67.8	Low	80.7	Confident	130 Å²	130	83.9 Å²	83.9	49%	0.491	45%	0.445	S	S	.	.			trans	-70.1	95.3	162	-178.3	-177.7	-178.4	157.7	0.5	107.9	E953 L957 E961	E953-R955 VanDerWaalsContact C-N 3.29Å; E953-R955 PolarHBondContact O-N 2.69Å; R955-L957 HydrophobicContact CG-CD2 4.3Å; R955-L957 PolarHBondContact O-N 3.41Å; R955-E961 IonicContact CZ-OE1 3.7Å; R955-E961 IonicContact NE-OE1 2.72Å; R955-E961 IonicContact NH2-OE1 3.08Å; R955-E961 PolarHBondContact NH2-OE1 3.22Å
956	V	75.1	Confident	80.9	Confident	135 Å²	135	84.4 Å²	84.4	82%	0.818	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-60.9	116.7	163.8	-178.2	0	0	0	0	106.9	P954	P954-V956 PolarHBondContact O-N 2.93Å
957	L	84.4	Confident	81	Confident	16 Å²	16	88.3 Å²	88.3	8%	0.084	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-72.7	143.7	178.1	-65.9	175.9	0	0	0	110.4	K681 V685 R955 E961 Q962 F965	K681-L957 HydrophobicContact CB-CD1 3.45Å; K681-L957 VanDerWaalsContact CB-CD1 3.45Å; K681-L957 HydrophobicContact CD-CD1 4.27Å; V685-L957 HydrophobicContact CB-CD2 4.32Å; V685-L957 HydrophobicContact CG1-CD2 4.4Å; V685-L957 HydrophobicContact CG2-CD2 4.3Å; R955-L957 HydrophobicContact CG-CD2 4.3Å; R955-L957 PolarHBondContact O-N 3.41Å; L957-E961 VanDerWaalsContact CA-OE2 3.26Å; L957-E961 WeakPolarHBondContact CA-OE2 3.32Å; L957-E961 HydrophobicContact CB-CB 3.92Å; L957-E961 HydrophobicContact CD2-CB 4.08Å; L957-E961 WeakPolarHBondContact CD2-OE2 3.36Å; L957-E961 HydrophobicContact CG-CB 4.45Å; L957-Q962 HydrophobicContact CB-CG 4.08Å; L957-F965 HydrophobicContact CD1-CE2 4.46Å
958	S	89.8	Confident	81.2	Confident	46 Å²	46	83.1 Å²	83.1	32%	0.322	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-66.5	163.4	172.5	84.9	0	0	0	0	111.2	E960 E961 Q962	S958-E960 PolarHBondContact O-N 3.41Å; S958-E960 PolarHBondContact OG-N 3.37Å; S958-E961 PolarHBondContact N-OE2 3.31Å; S958-E961 PolarHBondContact O-N 2.96Å; S958-E961 VanDerWaalsContact O-N 3.14Å; S958-E961 WeakPolarHBondContact OG-CG 3.28Å; S958-E961 PolarHBondContact OG-N 3.23Å; S958-Q962 WeakPolarHBondContact O-CG 3.37Å; S958-Q962 PolarHBondContact O-N 3.32Å
959	S	89.6	Confident	81.7	Confident	95 Å²	95	83.8 Å²	83.8	66%	0.664	44%	0.441	S	S	*	.	H	α-helix	trans	-59.1	-32.8	172.9	-48.1	0	0	0	0	112.2	Q962 N963	S959-Q962 PolarHBondContact O-N 3.47Å; S959-N963 WeakPolarHBondContact O-CB 3.34Å; S959-N963 PolarHBondContact O-N 3.06Å; S959-N963 PolarHBondContact O-ND2 3.49Å; S959-N963 PolarHBondContact O-OD1 3.27Å
960	E	90.1	Very high	82.4	Confident	156 Å²	156	83.5 Å²	83.5	73%	0.729	44%	0.435	S	S	*	.	H	α-helix	trans	-67.5	-44.3	175.3	-59.2	170.4	163.3	0	0	110.7	S958 Q962 N963 L964	S958-E960 PolarHBondContact O-N 3.41Å; S958-E960 PolarHBondContact OG-N 3.37Å; E960-Q962 VanDerWaalsContact C-N 3.33Å; E960-Q962 PolarHBondContact O-N 3.24Å; E960-N963 PolarHBondContact O-N 3.18Å; E960-L964 PolarHBondContact O-N 3.06Å
961	E	90.9	Very high	83.4	Confident	36 Å²	36	82.4 Å²	82.4	17%	0.168	42%	0.424	C	S	.	.	H	α-helix	trans	-68.3	-28.4	176.7	-68	175.1	139.8	0	0	113.2	V685 R955 L957 S958 F965	V685-E961 HydrophobicContact CG1-CG 4.2Å; R955-E961 IonicContact CZ-OE1 3.7Å; R955-E961 IonicContact NE-OE1 2.72Å; R955-E961 IonicContact NH2-OE1 3.08Å; R955-E961 PolarHBondContact NH2-OE1 3.22Å; L957-E961 VanDerWaalsContact CA-OE2 3.26Å; L957-E961 WeakPolarHBondContact CA-OE2 3.32Å; L957-E961 HydrophobicContact CB-CB 3.92Å; L957-E961 HydrophobicContact CD2-CB 4.08Å; L957-E961 WeakPolarHBondContact CD2-OE2 3.36Å; L957-E961 HydrophobicContact CG-CB 4.45Å; S958-E961 PolarHBondContact N-OE2 3.31Å; S958-E961 PolarHBondContact O-N 2.96Å; S958-E961 VanDerWaalsContact O-N 3.14Å; S958-E961 WeakPolarHBondContact OG-CG 3.28Å; S958-E961 PolarHBondContact OG-N 3.23Å; E961-F965 WeakPolarHBondContact O-CD2 3.26Å; E961-F965 WeakPolarHBondContact O-CE2 3.47Å
962	Q	91.6	Very high	84.6	Confident	48 Å²	48	81.2 Å²	81.2	22%	0.224	42%	0.417	C	S	.	.	H	α-helix	trans	-74.9	-38.5	172.1	-68.9	-72.8	4	0	0	111.7	S721 L957 S958 S959 E960 L964 F965	S721-Q962 PolarHBondContact O-NE2 3.18Å; L957-Q962 HydrophobicContact CB-CG 4.08Å; S958-Q962 WeakPolarHBondContact O-CG 3.37Å; S958-Q962 PolarHBondContact O-N 3.32Å; S959-Q962 PolarHBondContact O-N 3.47Å; E960-Q962 VanDerWaalsContact C-N 3.33Å; E960-Q962 PolarHBondContact O-N 3.24Å; Q962-L964 PolarHBondContact O-N 2.95Å; Q962-F965 PolarHBondContact O-N 3Å
963	N	93	Very high	85.6	Confident	113 Å²	113	77.6 Å²	77.6	60%	0.604	42%	0.415	S	S	*	.	H	α-helix	trans	-62.2	-23.1	177.6	-72.4	-6.4	0	0	0	112.7	S959 E960 F965 S966	S959-N963 WeakPolarHBondContact O-CB 3.34Å; S959-N963 PolarHBondContact O-N 3.06Å; S959-N963 PolarHBondContact O-ND2 3.49Å; S959-N963 PolarHBondContact O-OD1 3.27Å; E960-N963 PolarHBondContact O-N 3.18Å; N963-F965 PolarHBondContact O-N 3.43Å; N963-S966 WeakPolarHBondContact O-CB 3.3Å; N963-S966 PolarHBondContact O-N 3.35Å; N963-S966 VanDerWaalsContact O-N 3.08Å; N963-S966 PolarHBondContact O-OG 3.09Å
964	L	91.2	Very high	86.4	Confident	89 Å²	89	73.5 Å²	73.5	47%	0.466	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.9	170.1	-59.8	179.4	0	0	0	113.8	V690 M694 E960 Q962	V690-L964 HydrophobicContact CG1-CB 4.24Å; V690-L964 WeakPolarHBondContact CG1-O 3.38Å; V690-L964 HydrophobicContact CG2-CD1 4.38Å; M694-L964 WeakPolarHBondContact CE-O 3.36Å; E960-L964 PolarHBondContact O-N 3.06Å; Q962-L964 PolarHBondContact O-N 2.95Å
965	F	93.3	Very high	86.6	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	10.2	178.3	-55.9	-83	0	0	0	113.2	K681 I684 V685 V690 L693 Q719 V724 L957 E961 Q962 N963 D967 F968	K681-F965 HydrophobicContact CB-CE2 3.85Å; K681-F965 HydrophobicContact CB-CZ 3.86Å; K681-F965 HydrophobicContact CD-CD2 3.88Å; K681-F965 HydrophobicContact CD-CE2 4.07Å; K681-F965 HydrophobicContact CD-CG 4.22Å; K681-F965 HydrophobicContact CG-CD1 4.33Å; K681-F965 HydrophobicContact CG-CD2 4.09Å; K681-F965 HydrophobicContact CG-CE1 4.12Å; K681-F965 HydrophobicContact CG-CE2 3.87Å; K681-F965 HydrophobicContact CG-CG 4.32Å; K681-F965 HydrophobicContact CG-CZ 3.88Å; I684-F965 HydrophobicContact CG2-CE1 4.41Å; I684-F965 HydrophobicContact CG2-CZ 4.41Å; V685-F965 HydrophobicContact CG2-CE2 3.74Å; V685-F965 HydrophobicContact CG2-CZ 3.79Å; V690-F965 HydrophobicContact CG1-CE1 4.4Å; V690-F965 HydrophobicContact CG2-CE1 4.32Å; V690-F965 HydrophobicContact CG2-CZ 4.04Å; L693-F965 HydrophobicContact CD2-CD1 3.8Å; L693-F965 HydrophobicContact CD2-CE1 3.7Å; Q719-F965 PolarHBondContact NE2-O 3.27Å; Q719-F965 PolarHBondContact OE1-O 2.87Å; V724-F965 HydrophobicContact CG1-CD1 3.84Å; V724-F965 HydrophobicContact CG1-CE1 4.33Å; V724-F965 HydrophobicContact CG1-CG 4.45Å; L957-F965 HydrophobicContact CD1-CE2 4.46Å; E961-F965 WeakPolarHBondContact O-CD2 3.26Å; E961-F965 WeakPolarHBondContact O-CE2 3.47Å; Q962-F965 PolarHBondContact O-N 3Å; N963-F965 PolarHBondContact O-N 3.43Å; F965-D967 PolarHBondContact O-N 3.1Å; F965-F968 HydrophobicContact CB-CB 4.48Å; F965-F968 VanDerWaalsContact O-CB 3.23Å; F965-F968 WeakPolarHBondContact O-CB 3.14Å; F965-F968 PolarHBondContact O-N 3.49Å; F965-F968 VanDerWaalsContact O-N 3.1Å
966	S	90.1	Very high	87.5	Confident	70 Å²	70	69.8 Å²	69.8	49%	0.49	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-53.4	-43.4	-177.4	59.3	0	0	0	0	112.5	N963 F968	N963-S966 WeakPolarHBondContact O-CB 3.3Å; N963-S966 PolarHBondContact O-N 3.35Å; N963-S966 VanDerWaalsContact O-N 3.08Å; N963-S966 PolarHBondContact O-OG 3.09Å; S966-F968 PolarHBondContact O-N 2.86Å
967	D	90.9	Very high	88.2	Confident	123 Å²	123	66.3 Å²	66.3	66%	0.658	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-91.1	16.2	-172.6	-52.3	-8.5	0	0	0	111.6	K697 F965	K697-D967 PolarHBondContact NZ-O 3.46Å; F965-D967 PolarHBondContact O-N 3.1Å
968	F	93.1	Very high	88.4	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-75.7	-37.8	-178.5	-176.4	-99.9	0	0	0	112.9	L693 M694 K697 C717 F718 Q719 V724 F726 F965 S966	L693-F968 HydrophobicContact CD1-CE2 4.03Å; L693-F968 HydrophobicContact CD2-CD2 3.78Å; L693-F968 HydrophobicContact CD2-CE2 3.87Å; L693-F968 HydrophobicContact CG-CD2 4.15Å; L693-F968 HydrophobicContact CG-CE2 3.89Å; M694-F968 HydrophobicContact CE-CB 4.13Å; M694-F968 HydrophobicContact SD-CB 4.49Å; M694-F968 HydrophobicContact SD-CD2 4.29Å; K697-F968 VanDerWaalsContact CD-O 3.3Å; K697-F968 WeakPolarHBondContact CD-O 3Å; K697-F968 WeakPolarHBondContact CE-O 3.45Å; K697-F968 VanDerWaalsContact NZ-C 3.26Å; K697-F968 PolarHBondContact NZ-O 2.97Å; C717-F968 HydrophobicContact CB-CD1 4.01Å; C717-F968 HydrophobicContact CB-CE1 3.56Å; C717-F968 HydrophobicContact CB-CZ 3.91Å; C717-F968 VanDerWaalsContact CB-O 3.24Å; C717-F968 WeakPolarHBondContact CB-O 3.26Å; F718-F968 WeakPolarHBondContact O-CE1 3.44Å; Q719-F968 HydrophobicContact CB-CD1 4.27Å; V724-F968 HydrophobicContact CB-CD1 4.05Å; V724-F968 HydrophobicContact CB-CD2 4.45Å; V724-F968 HydrophobicContact CB-CE1 3.68Å; V724-F968 HydrophobicContact CB-CE2 4.13Å; V724-F968 HydrophobicContact CB-CG 4.43Å; V724-F968 HydrophobicContact CB-CZ 3.75Å; V724-F968 HydrophobicContact CG1-CD1 3.94Å; V724-F968 HydrophobicContact CG1-CD2 4.33Å; V724-F968 HydrophobicContact CG1-CE1 4.12Å; V724-F968 HydrophobicContact CG1-CG 4.06Å; V724-F968 HydrophobicContact CG1-CZ 4.41Å; V724-F968 HydrophobicContact CG2-CZ 4.48Å; F726-F968 HydrophobicContact CD1-CZ 4.2Å; F726-F968 HydrophobicContact CD2-CZ 4.27Å; F726-F968 AromaticContact CE1-CE2 3.91Å; F726-F968 HydrophobicContact CE1-CE2 3.91Å; F726-F968 AromaticContact CE1-CZ 3.98Å; F726-F968 HydrophobicContact CE1-CZ 3.98Å; F726-F968 HydrophobicContact CE2-CE2 4.15Å; F726-F968 HydrophobicContact CE2-CZ 4.08Å; F726-F968 HydrophobicContact CG-CZ 4.34Å; F726-F968 AromaticContact CZ-CE2 3.68Å; F726-F968 HydrophobicContact CZ-CE2 3.68Å; F726-F968 AromaticContact CZ-CZ 3.93Å; F726-F968 HydrophobicContact CZ-CZ 3.93Å; F965-F968 HydrophobicContact CB-CB 4.48Å; F965-F968 VanDerWaalsContact O-CB 3.23Å; F965-F968 WeakPolarHBondContact O-CB 3.14Å; F965-F968 PolarHBondContact O-N 3.49Å; F965-F968 VanDerWaalsContact O-N 3.1Å; S966-F968 PolarHBondContact O-N 2.86Å
969	D	92	Very high	88.3	Confident	44 Å²	44	70.5 Å²	70.5	24%	0.235	38%	0.378	C	S	.	.			trans	-70.9	145.2	-169.8	-53.1	-45.2	0	0	0	111.9	H642 K697 C717 F718 Q719	H642-D969 IonicContact CE1-OD2 3.23Å; H642-D969 PolarHBondContact CE1-OD2 3.46Å; K697-D969 PolarHBondContact NZ-O 3.47Å; C717-D969 WeakPolarHBondContact O-CA 3.49Å; F718-D969 VanDerWaalsContact C-OD1 3.28Å; F718-D969 WeakPolarHBondContact CA-OD1 3.29Å; Q719-D969 WeakPolarHBondContact CG-OD1 3.27Å; Q719-D969 PolarHBondContact N-OD1 3.02Å; Q719-D969 PolarHBondContact NE2-OD1 2.82Å; Q719-D969 PolarHBondContact NE2-OD2 3.5Å
970	Y	92.2	Very high	88.2	Confident	42 Å²	42	68.9 Å²	68.9	17%	0.165	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	149.2	-172.3	166	-93.9	0	0	0	110.3	E701 N704 L714 A716 C717 A972	E701-Y970 HydrophobicContact CG-CD2 4.03Å; E701-Y970 HydrophobicContact CG-CE2 3.84Å; E701-Y970 WeakPolarHBondContact OE1-CD2 3.45Å; N704-Y970 PolarHBondContact ND2-OH 3.5Å; L714-Y970 HydrophobicContact CD2-CD1 3.55Å; L714-Y970 HydrophobicContact CD2-CE1 3.72Å; L714-Y970 HydrophobicContact CD2-CG 4.5Å; L714-Y970 HydrophobicContact CG-CD1 4.26Å; L714-Y970 HydrophobicContact CG-CE1 4.23Å; A716-Y970 CarbonylContact C-O 3.37Å; A716-Y970 VanDerWaalsContact CA-O 3.22Å; A716-Y970 WeakPolarHBondContact CA-O 3.38Å; A716-Y970 WeakPolarHBondContact CB-O 3.45Å; C717-Y970 PolarHBondContact N-O 3.28Å; C717-Y970 PolarHBondContact O-N 3.09Å; Y970-A972 HydrophobicContact CE1-CB 4.02Å; Y970-A972 WeakPolarHBondContact OH-CA 3.42Å
971	I	90.7	Very high	88.1	Confident	54 Å²	54	63.1 Å²	63.1	28%	0.277	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.5	170.1	-63	-178	0	0	0	107	F641 F643 A716 C975	F641-I971 HydrophobicContact CB-CD1 4.43Å; F641-I971 HydrophobicContact CD1-CD1 3.97Å; F641-I971 WeakPolarHBondContact O-CD1 3.49Å; F643-I971 HydrophobicContact CD2-CD1 3.6Å; F643-I971 HydrophobicContact CD2-CG1 3.8Å; F643-I971 HydrophobicContact CE2-CD1 3.68Å; F643-I971 HydrophobicContact CE2-CG1 3.92Å; F643-I971 HydrophobicContact CE2-CG2 4.28Å; A716-I971 HydrophobicContact CB-CG1 4.41Å; I971-C975 HydrophobicContact CG2-CB 3.38Å
972	A	87.3	Confident	87.9	Confident	2 Å²	2	65.1 Å²	65.1	2%	0.017	35%	0.347	C	S	.	.			trans	-75.7	144.2	175.4	0	0	0	0	0	111.6	F715 Y970 W974 C975	F715-A972 WeakPolarHBondContact O-CB 3.42Å; F715-A972 PolarHBondContact O-N 3.4Å; Y970-A972 HydrophobicContact CE1-CB 4.02Å; Y970-A972 WeakPolarHBondContact OH-CA 3.42Å; A972-W974 HydrophobicContact CB-CD2 3.86Å; A972-W974 HydrophobicContact CB-CE3 4.13Å; A972-W974 HydrophobicContact CB-CH2 3.97Å; A972-W974 HydrophobicContact CB-CZ2 3.63Å; A972-W974 HydrophobicContact CB-CZ3 4.19Å; A972-W974 PolarHBondContact O-N 3.02Å; A972-C975 WeakPolarHBondContact O-CB 3.5Å; A972-C975 PolarHBondContact O-N 2.87Å
973	D	82.9	Confident	87.6	Confident	161 Å²	161	66.4 Å²	66.4	86%	0.861	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-2.8	-173.7	-49.5	-31.8	0	0	0	115.7
974	W	77.8	Confident	87.1	Confident	83 Å²	83	62.5 Å²	62.5	31%	0.314	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	12.4	-179.2	63	73.4	0	0	0	113.8	N704 R707 A972	N704-W974 HydrophobicContact CB-CH2 3.6Å; N704-W974 HydrophobicContact CB-CZ3 4.29Å; N704-W974 WeakPolarHBondContact O-CH2 3.34Å; N704-W974 WeakPolarHBondContact O-CZ3 3.33Å; R707-W974 HydrophobicContact CG-CE3 4.35Å; R707-W974 HydrophobicContact CG-CH2 3.47Å; R707-W974 VanDerWaalsContact CG-CH2 3.47Å; R707-W974 HydrophobicContact CG-CZ2 4.01Å; R707-W974 HydrophobicContact CG-CZ3 3.69Å; R707-W974 VanDerWaalsContact NH1-CD1 3.34Å; R707-W974 VanDerWaalsContact NH1-CG 3.29Å; A972-W974 HydrophobicContact CB-CD2 3.86Å; A972-W974 HydrophobicContact CB-CE3 4.13Å; A972-W974 HydrophobicContact CB-CH2 3.97Å; A972-W974 HydrophobicContact CB-CZ2 3.63Å; A972-W974 HydrophobicContact CB-CZ3 4.19Å; A972-W974 PolarHBondContact O-N 3.02Å
975	C	64.5	Low	86.8	Confident	82 Å²	82	60.1 Å²	60.1	55%	0.554	33%	0.325	S	S	*	.			trans	-70.6	0	-179.1	-174.9	0	0	0	0	113.7	F643 F715 I971 A972	F643-C975 WeakPolarHBondContact CZ-SG 3.43Å; F715-C975 HydrophobicContact CE2-CB 4.27Å; F715-C975 HydrophobicContact CZ-CB 4.28Å; F715-C975 WeakPolarHBondContact CZ-SG 3.36Å; I971-C975 HydrophobicContact CG2-CB 3.38Å; A972-C975 WeakPolarHBondContact O-CB 3.5Å; A972-C975 PolarHBondContact O-N 2.87Å

Retrieved 975 of 975 residues in 900.4 ms (Link to these results)

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