A0A3Q0KUL2_SCHMA Loading...

Putative voltage-gated potassium channel

AlphaFold DB , UniProt , Accession A0A3Q0KUL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,459 aa.

						>A0A3Q0KUL2_SCHMA|A0A3Q0KUL2
MSQHKGLSTPQNKFLETIVERSDALHANFVLGNAQRKYYPIVYCSDGFLLLTHYSRANVMSRSSICQFLWGSETTPTVRMEINQAFHNHYEYRNRAVFYTRTGEPFTCDFTVTPIRNERSEVVLFLCSYQKITQDLIHSNMYQSGYKMNHSKTHSILSWASELPFSKSYLHMKNNNFNETVENNEAHLQRSYSKVNLTQTSILSGSPEENDQYEESHTSTNTSQLISKHCLNITGTISTTSFSTSYSNQDLLKESQINIKRNSYDVPSDFYSETKLNYPKEYYLPSFCQSTSFVDVLHNPSCTTIPQNIPRKFNACIQRNFSILSLPQIKSQLRKFSRRKSVTKTSEETNSKGIHEFTLTSPAESPVISYVKLKTTSRNYSPTKTDKIITANENNKKTHFWERFDYLPYSTILSNQSNDNQPKKDKIVNSDQINLQQSNLPNTNQLLDPLKTELKNINTQSNKPNKTTKCFSFISQRLSDHQSYSYGNISKKFYEPDPKKYSYKRRKSLAIIHGLGFRGRKIRKSNSSKLNQQIKNFSVKNVPEYKIQKLTKSNFVLLHYGLFHIIWDWLLLILTFYIAFIVPYNVTFESHSTHSGRCRIIDLLVEIFLIVDVILNFHTTYVNKNGQIVNDRHLIAKHYAKGWLILDLLAALPVDFILIICQMTSMINLQNVNIHTNFIEKLNYVNVSMNDTQLYDGNNKYEIRPIVNFNLISLLQMMKLARLLRLARLIQKIIRLSQYSVIVLGLLMFSFALVAHWCACIWYVIGLYEIDGSDIGWLEDLARRLKSPFQLNRSGGPTEGSKYFTALYFTCSSLTSVGFGNVSANTTNEKIFAICIMLLGALMHAAVFGNVTAIIQRMYARRTTFQSKVQDLKEFIEVYRIPKTLKSRMEDFFQTTWAINRGIDVPEVLKIYPEELQGDIYLHLNREVLGLKVFEKANRDCLKSLAINFKLTFCTPGEYLIHTGDILRRLYFVSNGSLEVLETDEVVALLGKNDWFGAFLETDMPINGTTNNVSSSTFPIIRSRCDVKSLTYCDLHYIDLVTLSEILNQHPRFKAELKSYLYEDLSFNIQEGVENYLSNDVITVPAITLQLANDEKDWEGSETKLNVINDVESLKPPKFVFDNKGRSCSLTTYDEESGLLIPYANDRSNSEIAITKPLSTRTKPTITGINQIGWQFRSPSLSTKYLSHYPRRLQSTDKIVTKRRFFLLKSSKSSGCSSNIDLTQKSKENKSPPSNYKPIEINETMSHKIFTCNPKSFSPKHNRRHTMPTVEARNSESKSTSSSVMNKYRRSDLHTDDTWIFSNHSSGTQSNDELCSSSITSAQCLSYNYGKTLLSSQCLSIPNVNFTDNTQPQMVPIKPICVSMQVTQFNSLNCDINTISTSNLCLYTPNTSPVNSIWSCTNDYNHNRYTLSNRVYHVQGSNLNEINLTNELRNLNNRLECIELQFTKLFKLIESKQFL
					

Structure Viewer

Loading PAE data...

(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	25.9	Very low	31.3	Very low	250 Å²	250	108.4 Å²	108.4	100%	1.232	58%	0.581	S	S	*	*				0	150.7	0	-158.6	160.1	173.5	0	0	107.7
2	S	23	Very low	32.8	Very low	102 Å²	102	107.2 Å²	107.2	71%	0.713	58%	0.575	S	S	*	*			trans	-90.3	160.5	-151.2	48.3	0	0	0	0	116.4
3	Q	23.9	Very low	34.2	Very low	165 Å²	165	111.5 Å²	111.5	77%	0.771	59%	0.585	S	S	*	*			trans	65.3	120.2	167	-59.7	174.7	-3.9	0	0	117.9
4	H	29.3	Very low	35.7	Very low	100 Å²	100	107.8 Å²	107.8	46%	0.463	56%	0.562	S	S	.	*				-165.1	97.5	108.7	-108.5	-69.2	0	0	0	112.1	R36 K37	H4-R36 PolarHBondContact O-NH2 3.01Å; H4-K37 PolarHBondContact NE2-NZ 3.39Å; H4-K37 VanDerWaalsContact NE2-NZ 3.12Å
5	K	25.2	Very low	37.4	Very low	191 Å²	191	103.2 Å²	103.2	83%	0.83	54%	0.538	S	S	*	.			trans	-62.1	143.1	164.4	-71.2	-175.8	176.3	-176.6	0	110.8	E985	K5-E985 WeakPolarHBondContact CA-OE1 3.35Å
6	G	26.2	Very low	38.5	Very low	44 Å²	44	102.3 Å²	102.3	45%	0.454	53%	0.531	S	S	.	.			trans	94.9	70.7	130.7	0	0	0	0	0	115.9	E985	G6-E985 VanDerWaalsContact CA-CD 3.46Å; G6-E985 WeakPolarHBondContact CA-OE1 3.23Å; G6-E985 WeakPolarHBondContact CA-OE2 3.45Å; G6-E985 PolarHBondContact N-OE1 2.9Å; G6-E985 PolarHBondContact N-OE2 3.35Å
7	L	34.9	Very low	39.7	Very low	26 Å²	26	99.2 Å²	99.2	14%	0.136	52%	0.517	C	S	.	.			trans	-135.3	76.4	168.6	-82.9	100	0	0	0	115.9	T9 N33 Q35 R36 E985	L7-T9 PolarHBondContact O-N 2.95Å; L7-N33 WeakPolarHBondContact CD2-OD1 2.96Å; L7-Q35 VanDerWaalsContact CD2-C 3.42Å; L7-Q35 HydrophobicContact CD2-CB 3.25Å; L7-Q35 HydrophobicContact CD2-CG 4.5Å; L7-R36 HydrophobicContact CB-CG 4.13Å; L7-R36 HydrophobicContact CD1-CG 3.48Å; L7-R36 VanDerWaalsContact CD1-CG 3.48Å; L7-R36 HydrophobicContact CD2-CB 4.29Å; L7-R36 HydrophobicContact CD2-CG 3.83Å; L7-R36 HydrophobicContact CG-CG 3.96Å; L7-E985 PolarHBondContact N-OE2 3.49Å
8	S	34.8	Very low	40.9	Very low	84 Å²	84	94.8 Å²	94.8	59%	0.587	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-58	116.3	155.3	55.2	0	0	0	0	111.4
9	T	38.6	Very low	42	Very low	20 Å²	20	92 Å²	92	12%	0.123	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-65.3	134.8	158.7	47.9	0	0	0	0	109.1	L7 Q11 V42 L124	L7-T9 PolarHBondContact O-N 2.95Å; T9-Q11 PolarHBondContact O-N 3.11Å; T9-V42 HydrophobicContact CG2-CG1 4.47Å; T9-L124 HydrophobicContact CG2-CD2 4.22Å
10	P	39.9	Very low	42.8	Very low	57 Å²	57	93.5 Å²	93.5	37%	0.37	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-61.4	127.8	-179.1	24.3	-33.2	0	0	0	110.8	N12 V123	P10-N12 VanDerWaalsContact C-N 3.27Å; P10-N12 PolarHBondContact O-N 3.37Å; P10-V123 HydrophobicContact CG-CG1 3.96Å
11	Q	42.1	Very low	43.4	Very low	153 Å²	153	96 Å²	96	72%	0.715	49%	0.489	S	S	*	.			trans	-68.1	79.2	-178.4	-72.1	-176.7	-22.1	0	0	111.5	T9	T9-Q11 PolarHBondContact O-N 3.11Å
12	N	50.2	Low	44.8	Very low	94 Å²	94	84.7 Å²	84.7	50%	0.503	43%	0.434	S	S	.	.			trans	-117	129.7	-179.6	-94	-40.5	0	0	0	111.2	P10 F14 L15	P10-N12 VanDerWaalsContact C-N 3.27Å; P10-N12 PolarHBondContact O-N 3.37Å; N12-F14 HydrophobicContact CB-CB 3.98Å; N12-F14 PolarHBondContact O-N 3.41Å; N12-L15 PolarHBondContact O-N 2.69Å
13	K	51	Low	46.4	Very low	164 Å²	164	82.8 Å²	82.8	71%	0.713	42%	0.416	S	S	*	.	H	α-helix	trans	-48.6	-20.1	170.4	-68.4	176.3	176.6	173.1	0	113.9	L15 E16 T17	K13-L15 VanDerWaalsContact C-N 3.33Å; K13-L15 PolarHBondContact O-N 2.65Å; K13-E16 PolarHBondContact O-N 2.96Å; K13-T17 VanDerWaalsContact O-CB 3.26Å; K13-T17 WeakPolarHBondContact O-CB 3.18Å; K13-T17 PolarHBondContact O-N 3.12Å; K13-T17 PolarHBondContact O-OG1 3.45Å
14	F	54.1	Low	47.7	Very low	59 Å²	59	79 Å²	79	26%	0.259	41%	0.413	S	S	.	.	H	α-helix	trans	-46.9	-49.2	168	-179.2	-101.8	0	0	0	113.2	N12 T17 I18 I115 L163	N12-F14 HydrophobicContact CB-CB 3.98Å; N12-F14 PolarHBondContact O-N 3.41Å; F14-T17 PolarHBondContact O-N 3.31Å; F14-I18 HydrophobicContact CD1-CD1 3.86Å; F14-I18 HydrophobicContact CD2-CD1 4.37Å; F14-I18 HydrophobicContact CE1-CD1 3.43Å; F14-I18 VanDerWaalsContact CE1-CD1 3.43Å; F14-I18 HydrophobicContact CE2-CD1 4Å; F14-I18 HydrophobicContact CG-CD1 4.31Å; F14-I18 HydrophobicContact CZ-CD1 3.52Å; F14-I18 WeakPolarHBondContact O-CG1 3.07Å; F14-I18 PolarHBondContact O-N 2.68Å; F14-I115 HydrophobicContact CE1-CD1 4.2Å; F14-I115 HydrophobicContact CE1-CG2 3.78Å; F14-I115 HydrophobicContact CZ-CD1 4.42Å; F14-I115 HydrophobicContact CZ-CG2 3.88Å; F14-L163 HydrophobicContact CE2-CD1 3.81Å; F14-L163 HydrophobicContact CE2-CD2 4.01Å; F14-L163 HydrophobicContact CE2-CG 4.49Å; F14-L163 HydrophobicContact CZ-CD1 4.05Å
15	L	61.8	Low	48.8	Very low	39 Å²	39	80.3 Å²	80.3	20%	0.204	42%	0.423	C	S	.	.	H	α-helix	trans	-65.7	-49.4	-179.6	-83.1	170	0	0	0	111.6	N12 K13 T17 I18 V19 L31 L124	N12-L15 PolarHBondContact O-N 2.69Å; K13-L15 VanDerWaalsContact C-N 3.33Å; K13-L15 PolarHBondContact O-N 2.65Å; L15-T17 VanDerWaalsContact C-N 3.27Å; L15-T17 PolarHBondContact O-N 2.87Å; L15-I18 PolarHBondContact O-N 3.46Å; L15-I18 VanDerWaalsContact O-N 3.15Å; L15-V19 WeakPolarHBondContact O-CG2 3.25Å; L15-V19 PolarHBondContact O-N 3.46Å; L15-L31 HydrophobicContact CD2-CD1 3.86Å; L15-L124 HydrophobicContact CD2-CD1 3.77Å; L15-L124 HydrophobicContact CG-CD1 4.41Å
16	E	55.7	Low	50.3	Low	89 Å²	89	75.7 Å²	75.7	42%	0.416	40%	0.404	S	S	.	.	H	α-helix	trans	-57.7	-41.4	176.2	-56.6	178.5	124.6	0	0	111.6	K13 I18 V19 E20	K13-E16 PolarHBondContact O-N 2.96Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 3.34Å; E16-V19 PolarHBondContact O-N 3.49Å; E16-E20 WeakPolarHBondContact O-CB 3.32Å; E16-E20 PolarHBondContact O-N 3Å
17	T	57.6	Low	52.3	Low	50 Å²	50	74.4 Å²	74.4	31%	0.307	39%	0.389	S	S	.	.	H	α-helix	trans	-67.7	-33.3	179.3	-57.8	0	0	0	0	112.4	K13 F14 L15 R21	K13-T17 VanDerWaalsContact O-CB 3.26Å; K13-T17 WeakPolarHBondContact O-CB 3.18Å; K13-T17 PolarHBondContact O-N 3.12Å; K13-T17 PolarHBondContact O-OG1 3.45Å; F14-T17 PolarHBondContact O-N 3.31Å; L15-T17 VanDerWaalsContact C-N 3.27Å; L15-T17 PolarHBondContact O-N 2.87Å; T17-R21 VanDerWaalsContact CG2-NH1 3.28Å; T17-R21 WeakPolarHBondContact O-CB 3.42Å; T17-R21 PolarHBondContact O-N 2.77Å
18	I	62.1	Low	54.7	Low	19 Å²	19	75.3 Å²	75.3	10%	0.097	39%	0.394	C	S	.	.	H	α-helix	trans	-68.7	-50.2	173.1	-73.5	167.7	0	0	0	109.4	F14 L15 E16 R21 S22 F29 W159	F14-I18 HydrophobicContact CD1-CD1 3.86Å; F14-I18 HydrophobicContact CD2-CD1 4.37Å; F14-I18 HydrophobicContact CE1-CD1 3.43Å; F14-I18 VanDerWaalsContact CE1-CD1 3.43Å; F14-I18 HydrophobicContact CE2-CD1 4Å; F14-I18 HydrophobicContact CG-CD1 4.31Å; F14-I18 HydrophobicContact CZ-CD1 3.52Å; F14-I18 WeakPolarHBondContact O-CG1 3.07Å; F14-I18 PolarHBondContact O-N 2.68Å; L15-I18 PolarHBondContact O-N 3.46Å; L15-I18 VanDerWaalsContact O-N 3.15Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 3.34Å; I18-R21 PolarHBondContact O-N 3.15Å; I18-S22 WeakPolarHBondContact O-CB 3.17Å; I18-S22 PolarHBondContact O-N 2.93Å; I18-S22 PolarHBondContact O-OG 3.37Å; I18-F29 HydrophobicContact CG2-CE2 4.29Å; I18-F29 HydrophobicContact CG2-CZ 4.33Å; I18-W159 HydrophobicContact CG1-CH2 4.18Å
19	V	62	Low	57.3	Low	42 Å²	42	71.8 Å²	71.8	26%	0.255	37%	0.368	S	S	.	.	H	α-helix	trans	-59.1	-54	178.9	174.6	0	0	0	0	111.6	L15 E16 R21 S22 D23 Y43	L15-V19 WeakPolarHBondContact O-CG2 3.25Å; L15-V19 PolarHBondContact O-N 3.46Å; E16-V19 PolarHBondContact O-N 3.49Å; V19-R21 PolarHBondContact O-N 2.65Å; V19-R21 VanDerWaalsContact O-N 3.15Å; V19-S22 PolarHBondContact O-N 3.25Å; V19-S22 PolarHBondContact O-OG 3.1Å; V19-D23 PolarHBondContact O-N 3.33Å; V19-Y43 HydrophobicContact CG1-CE2 4.22Å; V19-Y43 HydrophobicContact CG2-CD2 4.32Å; V19-Y43 HydrophobicContact CG2-CE1 4.25Å; V19-Y43 HydrophobicContact CG2-CE2 4.02Å
20	E	58.3	Low	59.6	Low	121 Å²	121	70.8 Å²	70.8	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-52.1	-40	177.9	-83.5	-160.6	160	0	0	112.3	E16 K1212	E16-E20 WeakPolarHBondContact O-CB 3.32Å; E16-E20 PolarHBondContact O-N 3Å; E20-K1212 IonicContact OE1-NZ 2.84Å; E20-K1212 PolarHBondContact OE1-NZ 2.8Å; E20-K1212 IonicContact OE2-NZ 2.92Å; E20-K1212 PolarHBondContact OE2-NZ 2.84Å
21	R	54	Low	61.9	Low	148 Å²	148	68.3 Å²	68.3	56%	0.558	35%	0.346	S	S	*	.	H	α-helix	trans	-84.5	-31.3	-178.3	-78.8	-174.5	157.9	95.4	-4.4	113.9	T17 I18 V19 L25	T17-R21 VanDerWaalsContact CG2-NH1 3.28Å; T17-R21 WeakPolarHBondContact O-CB 3.42Å; T17-R21 PolarHBondContact O-N 2.77Å; I18-R21 PolarHBondContact O-N 3.15Å; V19-R21 PolarHBondContact O-N 2.65Å; V19-R21 VanDerWaalsContact O-N 3.15Å; R21-L25 WeakPolarHBondContact O-CG 3.35Å
22	S	56.2	Low	64.1	Low	12 Å²	12	61 Å²	61	8%	0.084	31%	0.312	C	S	.	.	H	α-helix	trans	-82.1	-35.1	-172.4	63.3	0	0	0	0	113.3	I18 V19 A24 L25 H26 A27 F29	I18-S22 WeakPolarHBondContact O-CB 3.17Å; I18-S22 PolarHBondContact O-N 2.93Å; I18-S22 PolarHBondContact O-OG 3.37Å; V19-S22 PolarHBondContact O-N 3.25Å; V19-S22 PolarHBondContact O-OG 3.1Å; S22-A24 VanDerWaalsContact C-N 3.29Å; S22-A24 PolarHBondContact O-N 3.31Å; S22-L25 CarbonylContact O-C 3.47Å; S22-L25 PolarHBondContact O-N 3.18Å; S22-L25 VanDerWaalsContact O-N 3.09Å; S22-H26 PolarHBondContact O-N 2.79Å; S22-H26 VanDerWaalsContact O-N 3.14Å; S22-A27 PolarHBondContact O-N 3.08Å; S22-F29 WeakPolarHBondContact OG-CE1 3.26Å; S22-F29 WeakPolarHBondContact OG-CZ 3.29Å
23	D	55.5	Low	65.8	Low	62 Å²	62	56.8 Å²	56.8	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-67.4	-35.3	175.6	-70.2	-19.6	0	0	0	110.9	V19 L25 H26 Y43	V19-D23 PolarHBondContact O-N 3.33Å; D23-L25 PolarHBondContact O-N 2.85Å; D23-H26 PolarHBondContact O-N 3Å; D23-H26 VanDerWaalsContact O-N 3.17Å; D23-H26 PolarHBondContact O-ND1 2.89Å; D23-H26 VanDerWaalsContact O-ND1 3.12Å; D23-Y43 PolarHBondContact OD1-OH 3.1Å; D23-Y43 VanDerWaalsContact OD1-OH 3.06Å; D23-Y43 PolarHBondContact OD2-OH 2.54Å
24	A	51.8	Low	67.4	Low	85 Å²	85	49.3 Å²	49.3	70%	0.702	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.1	171.7	0	0	0	0	0	113.9	S22	S22-A24 VanDerWaalsContact C-N 3.29Å; S22-A24 PolarHBondContact O-N 3.31Å
25	L	53.8	Low	68.7	Low	128 Å²	128	51 Å²	51	67%	0.67	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-6.3	176.6	-70.2	171.1	0	0	0	113.6	R21 S22 D23 A27	R21-L25 WeakPolarHBondContact O-CG 3.35Å; S22-L25 CarbonylContact O-C 3.47Å; S22-L25 PolarHBondContact O-N 3.18Å; S22-L25 VanDerWaalsContact O-N 3.09Å; D23-L25 PolarHBondContact O-N 2.85Å; L25-A27 PolarHBondContact O-N 2.6Å
26	H	55.5	Low	69.3	Low	93 Å²	93	52.2 Å²	52.2	43%	0.431	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	37.1	-169	-62.9	-18.7	0	0	0	113	S22 D23	S22-H26 PolarHBondContact O-N 2.79Å; S22-H26 VanDerWaalsContact O-N 3.14Å; D23-H26 PolarHBondContact O-N 3Å; D23-H26 VanDerWaalsContact O-N 3.17Å; D23-H26 PolarHBondContact O-ND1 2.89Å; D23-H26 VanDerWaalsContact O-ND1 3.12Å
27	A	68.7	Low	70.3	Confident	17 Å²	17	54.6 Å²	54.6	14%	0.14	28%	0.277	C	S	.	.			trans	-66.6	140.9	-179.2	0	0	0	0	0	111.6	S22 L25 F29 S45 I156	S22-A27 PolarHBondContact O-N 3.08Å; L25-A27 PolarHBondContact O-N 2.6Å; A27-F29 HydrophobicContact CB-CD1 4Å; A27-F29 HydrophobicContact CB-CE1 4.49Å; A27-F29 PolarHBondContact O-N 2.74Å; A27-S45 WeakPolarHBondContact O-CB 3.36Å; A27-S45 PolarHBondContact O-OG 3.03Å; A27-I156 HydrophobicContact CB-CD1 4.35Å
28	N	85.9	Confident	71.4	Confident	46 Å²	46	61.2 Å²	61.2	25%	0.246	30%	0.298	C	S	.	.			trans	-91.5	96	177.3	-54	-26.9	0	0	0	109.6	G47 L51 S128 Y129	N28-G47 VanDerWaalsContact OD1-CA 3.25Å; N28-G47 WeakPolarHBondContact OD1-CA 3.43Å; N28-G47 PolarHBondContact OD1-O 3.19Å; N28-G47 VanDerWaalsContact OD1-O 3.13Å; N28-L51 HydrophobicContact CB-CD2 4.17Å; N28-S128 WeakPolarHBondContact O-CA 3.18Å; N28-Y129 VanDerWaalsContact CB-O 3.3Å; N28-Y129 WeakPolarHBondContact CB-O 3.14Å; N28-Y129 PolarHBondContact ND2-O 2.78Å; N28-Y129 PolarHBondContact O-N 2.97Å
29	F	87.6	Confident	72.6	Confident	9 Å²	9	61.6 Å²	61.6	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	164.5	-178.2	78.7	-77	0	0	0	113.9	I18 S22 A27 L31 Y43 S45 L126 C127	I18-F29 HydrophobicContact CG2-CE2 4.29Å; I18-F29 HydrophobicContact CG2-CZ 4.33Å; S22-F29 WeakPolarHBondContact OG-CE1 3.26Å; S22-F29 WeakPolarHBondContact OG-CZ 3.29Å; A27-F29 HydrophobicContact CB-CD1 4Å; A27-F29 HydrophobicContact CB-CE1 4.49Å; A27-F29 PolarHBondContact O-N 2.74Å; F29-L31 HydrophobicContact CD2-CG 4.29Å; F29-L31 HydrophobicContact CE2-CD1 4.07Å; F29-L31 HydrophobicContact CE2-CG 4.02Å; F29-Y43 HydrophobicContact CE1-CE1 4.26Å; F29-Y43 AromaticContact CE2-CD1 3.93Å; F29-Y43 HydrophobicContact CE2-CD1 3.93Å; F29-Y43 AromaticContact CE2-CE1 3.98Å; F29-Y43 HydrophobicContact CE2-CE1 3.98Å; F29-Y43 AromaticContact CZ-CD1 3.98Å; F29-Y43 HydrophobicContact CZ-CD1 3.98Å; F29-Y43 AromaticContact CZ-CE1 3.53Å; F29-Y43 HydrophobicContact CZ-CE1 3.53Å; F29-S45 VanDerWaalsContact CE1-CB 3.4Å; F29-S45 PolarHBondContact N-OG 3.48Å; F29-S45 VanDerWaalsContact N-OG 3.11Å; F29-S45 PolarHBondContact O-N 3.29Å; F29-S45 PolarHBondContact O-OG 3.35Å; F29-L126 HydrophobicContact CB-CD1 4.06Å; F29-L126 HydrophobicContact CD2-CD1 3.43Å; F29-L126 VanDerWaalsContact CD2-CD1 3.43Å; F29-L126 HydrophobicContact CE2-CD1 4.24Å; F29-L126 HydrophobicContact CG-CD1 4.04Å; F29-C127 CarbonylContact C-O 3.52Å; F29-C127 WeakPolarHBondContact CA-O 3.43Å; F29-C127 WeakPolarHBondContact CB-O 3.36Å
30	V	88.5	Confident	73.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.6	-178	177.2	0	0	0	0	108.6	I41 C44 F48 C127 Y129	V30-I41 HydrophobicContact CG1-CB 4.15Å; V30-I41 HydrophobicContact CG1-CD1 3.6Å; V30-I41 HydrophobicContact CG1-CG1 3.47Å; V30-I41 VanDerWaalsContact CG1-CG1 3.47Å; V30-I41 HydrophobicContact CG1-CG2 3.64Å; V30-C44 HydrophobicContact CG2-CB 4.29Å; V30-F48 HydrophobicContact CG2-CB 4.29Å; V30-F48 HydrophobicContact CG2-CD1 3.67Å; V30-F48 HydrophobicContact CG2-CD2 3.56Å; V30-F48 HydrophobicContact CG2-CE1 3.79Å; V30-F48 HydrophobicContact CG2-CE2 3.67Å; V30-F48 HydrophobicContact CG2-CG 3.54Å; V30-F48 HydrophobicContact CG2-CZ 3.77Å; V30-C127 HydrophobicContact CB-CB 4.31Å; V30-C127 PolarHBondContact N-O 2.91Å; V30-C127 PolarHBondContact O-N 3.05Å; V30-Y129 HydrophobicContact CB-CE2 4.42Å; V30-Y129 HydrophobicContact CG2-CE2 4.01Å
31	L	87.2	Confident	75.1	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.8	172	-71.3	166.9	0	0	0	109.6	L15 F29 V42 Y43 I115 F125 L126	L15-L31 HydrophobicContact CD2-CD1 3.86Å; F29-L31 HydrophobicContact CD2-CG 4.29Å; F29-L31 HydrophobicContact CE2-CD1 4.07Å; F29-L31 HydrophobicContact CE2-CG 4.02Å; L31-V42 PolarHBondContact O-N 3.38Å; L31-Y43 HydrophobicContact CD1-CD1 4.35Å; L31-Y43 PolarHBondContact N-O 3.26Å; L31-Y43 PolarHBondContact O-N 3.19Å; L31-I115 HydrophobicContact CD2-CD1 4.06Å; L31-F125 WeakPolarHBondContact CA-O 3.3Å; L31-L126 HydrophobicContact CD2-CB 4.2Å; L31-L126 HydrophobicContact CD2-CD1 3.95Å
32	G	87.8	Confident	76.5	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.5	171.8	0	0	0	0	0	112.1	A34 P40 L124 F125	G32-A34 PolarHBondContact O-N 2.56Å; G32-P40 CarbonylContact C-O 3.56Å; G32-P40 WeakPolarHBondContact CA-O 3.3Å; G32-L124 CarbonylContact O-C 3.57Å; G32-L124 VanDerWaalsContact O-CA 3.26Å; G32-L124 WeakPolarHBondContact O-CA 3.35Å; G32-F125 PolarHBondContact N-O 3.29Å; G32-F125 PolarHBondContact O-N 2.95Å
33	N	86	Confident	77.7	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.027	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	114.6	171.5	-172.4	-39.9	0	0	0	109.7	L7 Q35 R36 Y39 P40 V42	L7-N33 WeakPolarHBondContact CD2-OD1 2.96Å; N33-Q35 VanDerWaalsContact C-N 3.28Å; N33-Q35 PolarHBondContact O-N 3.4Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.18Å; N33-Q35 PolarHBondContact OD1-N 3.47Å; N33-R36 PolarHBondContact OD1-N 3.12Å; N33-Y39 VanDerWaalsContact O-CA 3.28Å; N33-Y39 WeakPolarHBondContact O-CA 3.14Å; N33-P40 HydrophobicContact CB-CG 4.34Å; N33-P40 PolarHBondContact N-O 3.31Å; N33-V42 HydrophobicContact CB-CG2 3.75Å
34	A	85.8	Confident	79	Confident	7 Å²	7	48.6 Å²	48.6	6%	0.058	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.4	-176.3	0	0	0	0	0	113.7	G32 V122 V123 F125	G32-A34 PolarHBondContact O-N 2.56Å; A34-V122 HydrophobicContact CB-CB 4.44Å; A34-V122 HydrophobicContact CB-CG1 3.7Å; A34-V123 VanDerWaalsContact CB-C 3.49Å; A34-V123 WeakPolarHBondContact CB-O 3.26Å; A34-V123 PolarHBondContact N-O 2.79Å; A34-F125 HydrophobicContact CB-CD2 3.48Å; A34-F125 VanDerWaalsContact CB-CD2 3.48Å; A34-F125 HydrophobicContact CB-CE2 3.49Å; A34-F125 VanDerWaalsContact CB-CE2 3.49Å; A34-F125 HydrophobicContact CB-CG 4.35Å; A34-F125 HydrophobicContact CB-CZ 4.38Å
35	Q	80.7	Confident	80.5	Confident	94 Å²	94	44.5 Å²	44.5	44%	0.439	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-16	-175.5	-63.2	171.2	-43.8	0	0	112.8	L7 N33	L7-Q35 VanDerWaalsContact CD2-C 3.42Å; L7-Q35 HydrophobicContact CD2-CB 3.25Å; L7-Q35 HydrophobicContact CD2-CG 4.5Å; N33-Q35 VanDerWaalsContact C-N 3.28Å; N33-Q35 PolarHBondContact O-N 3.4Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.18Å; N33-Q35 PolarHBondContact OD1-N 3.47Å
36	R	75.1	Confident	81.6	Confident	66 Å²	66	41.9 Å²	41.9	25%	0.249	19%	0.194	C	C	.	.	S	Bend	trans	-87	139.3	170.6	-99.6	-171.6	177.1	158.6	5.5	110.9	H4 L7 N33 Y39 P40 E985	H4-R36 PolarHBondContact O-NH2 3.01Å; L7-R36 HydrophobicContact CB-CG 4.13Å; L7-R36 HydrophobicContact CD1-CG 3.48Å; L7-R36 VanDerWaalsContact CD1-CG 3.48Å; L7-R36 HydrophobicContact CD2-CB 4.29Å; L7-R36 HydrophobicContact CD2-CG 3.83Å; L7-R36 HydrophobicContact CG-CG 3.96Å; N33-R36 PolarHBondContact OD1-N 3.12Å; R36-Y39 PolarHBondContact O-N 3.18Å; R36-P40 HydrophobicContact CB-CG 3.6Å; R36-P40 HydrophobicContact CG-CG 4.24Å; R36-E985 IonicContact CZ-OE2 2.65Å; R36-E985 IonicContact NH2-OE2 3.32Å; R36-E985 PolarHBondContact NH2-OE2 2.97Å
37	K	76	Confident	82.7	Confident	139 Å²	139	37.7 Å²	37.7	60%	0.604	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	143.3	165	-69.3	179.7	-174.3	156.5	0	110	H4 Y39	H4-K37 PolarHBondContact NE2-NZ 3.39Å; H4-K37 VanDerWaalsContact NE2-NZ 3.12Å; K37-Y39 PolarHBondContact O-N 3.11Å
38	Y	80.6	Confident	83.6	Confident	189 Å²	189	36.9 Å²	36.9	74%	0.741	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	3.3	-173	-46.5	-75.4	0	0	0	115.8	S63	Y38-S63 VanDerWaalsContact O-CA 3.27Å; Y38-S63 WeakPolarHBondContact O-CA 3.1Å; Y38-S63 WeakPolarHBondContact O-CB 3.5Å; Y38-S63 PolarHBondContact O-OG 3.22Å
39	Y	87.6	Confident	83.6	Confident	27 Å²	27	35.8 Å²	35.8	11%	0.106	16%	0.163	C	C	.	.			trans	53.6	55.3	170.9	-41.4	-70.8	0	0	0	115	N33 R36 K37 S64 I65 F86 F125	N33-Y39 VanDerWaalsContact O-CA 3.28Å; N33-Y39 WeakPolarHBondContact O-CA 3.14Å; R36-Y39 PolarHBondContact O-N 3.18Å; K37-Y39 PolarHBondContact O-N 3.11Å; Y39-S64 WeakPolarHBondContact CB-OG 3.37Å; Y39-S64 VanDerWaalsContact O-CB 3.29Å; Y39-S64 WeakPolarHBondContact O-CB 3.4Å; Y39-S64 PolarHBondContact O-N 3.44Å; Y39-S64 PolarHBondContact O-OG 3.35Å; Y39-I65 HydrophobicContact CD2-CD1 3.84Å; Y39-I65 HydrophobicContact CD2-CG1 4.18Å; Y39-I65 HydrophobicContact CE2-CD1 4.13Å; Y39-F86 HydrophobicContact CD2-CB 3.97Å; Y39-F86 AromaticContact CD2-CD1 3.93Å; Y39-F86 HydrophobicContact CD2-CD1 3.93Å; Y39-F86 HydrophobicContact CD2-CG 4.26Å; Y39-F86 HydrophobicContact CE2-CB 3.68Å; Y39-F86 HydrophobicContact CE2-CD1 4.45Å; Y39-F86 HydrophobicContact CE2-CG 4.45Å; Y39-F86 HydrophobicContact CG-CD1 4Å; Y39-F86 PolarHBondContact OH-O 3.46Å; Y39-F86 VanDerWaalsContact OH-O 3.08Å; Y39-F125 HydrophobicContact CD1-CD2 4.14Å; Y39-F125 AromaticContact CD1-CE2 3.69Å; Y39-F125 HydrophobicContact CD1-CE2 3.69Å; Y39-F125 AromaticContact CE1-CE2 3.84Å; Y39-F125 HydrophobicContact CE1-CE2 3.84Å; Y39-F125 HydrophobicContact CG-CD2 4.49Å; Y39-F125 HydrophobicContact CG-CE2 4.31Å
40	P	85.7	Confident	83.4	Confident	25 Å²	25	39.9 Å²	39.9	16%	0.162	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-61.3	143.1	-170.9	26.6	-35.2	0	0	0	112.8	G32 N33 R36 V42 R62	G32-P40 CarbonylContact C-O 3.56Å; G32-P40 WeakPolarHBondContact CA-O 3.3Å; N33-P40 HydrophobicContact CB-CG 4.34Å; N33-P40 PolarHBondContact N-O 3.31Å; R36-P40 HydrophobicContact CB-CG 3.6Å; R36-P40 HydrophobicContact CG-CG 4.24Å; P40-V42 PolarHBondContact O-N 3.06Å; P40-R62 CarbonylContact C-O 3.52Å; P40-R62 VanDerWaalsContact CA-O 3.31Å; P40-R62 WeakPolarHBondContact CA-O 3.19Å
41	I	86.9	Confident	83.2	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.9	178.5	-66.2	169.8	0	0	0	110.2	V30 C44 V59 M60 S61 R62 F68	V30-I41 HydrophobicContact CG1-CB 4.15Å; V30-I41 HydrophobicContact CG1-CD1 3.6Å; V30-I41 HydrophobicContact CG1-CG1 3.47Å; V30-I41 VanDerWaalsContact CG1-CG1 3.47Å; V30-I41 HydrophobicContact CG1-CG2 3.64Å; I41-C44 HydrophobicContact CG2-CB 4.38Å; I41-V59 HydrophobicContact CD1-CG1 3.78Å; I41-V59 HydrophobicContact CG2-CG1 4.25Å; I41-M60 HydrophobicContact CG2-SD 4.46Å; I41-S61 PolarHBondContact O-N 3.22Å; I41-R62 HydrophobicContact CD1-CB 4.32Å; I41-R62 VanDerWaalsContact CG1-O 3.27Å; I41-R62 WeakPolarHBondContact CG1-O 3.34Å; I41-R62 PolarHBondContact N-O 2.91Å; I41-F68 HydrophobicContact CD1-CE1 4.34Å
42	V	82.7	Confident	83.2	Confident	36 Å²	36	40.6 Å²	40.6	22%	0.218	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-25.9	178.8	-169.2	0	0	0	0	111.6	T9 L31 N33 P40 M60	T9-V42 HydrophobicContact CG2-CG1 4.47Å; L31-V42 PolarHBondContact O-N 3.38Å; N33-V42 HydrophobicContact CB-CG2 3.75Å; P40-V42 PolarHBondContact O-N 3.06Å; V42-M60 WeakPolarHBondContact O-CE 3.47Å
43	Y	81.4	Confident	83	Confident	45 Å²	45	45.3 Å²	45.3	18%	0.176	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143.5	174.6	179.3	-91.6	0	0	0	111	V19 D23 F29 L31	V19-Y43 HydrophobicContact CG1-CE2 4.22Å; V19-Y43 HydrophobicContact CG2-CD2 4.32Å; V19-Y43 HydrophobicContact CG2-CE1 4.25Å; V19-Y43 HydrophobicContact CG2-CE2 4.02Å; D23-Y43 PolarHBondContact OD1-OH 3.1Å; D23-Y43 VanDerWaalsContact OD1-OH 3.06Å; D23-Y43 PolarHBondContact OD2-OH 2.54Å; F29-Y43 HydrophobicContact CE1-CE1 4.26Å; F29-Y43 AromaticContact CE2-CD1 3.93Å; F29-Y43 HydrophobicContact CE2-CD1 3.93Å; F29-Y43 AromaticContact CE2-CE1 3.98Å; F29-Y43 HydrophobicContact CE2-CE1 3.98Å; F29-Y43 AromaticContact CZ-CD1 3.98Å; F29-Y43 HydrophobicContact CZ-CD1 3.98Å; F29-Y43 AromaticContact CZ-CE1 3.53Å; F29-Y43 HydrophobicContact CZ-CE1 3.53Å; L31-Y43 HydrophobicContact CD1-CD1 4.35Å; L31-Y43 PolarHBondContact N-O 3.26Å; L31-Y43 PolarHBondContact O-N 3.19Å
44	C	83.9	Confident	82.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.6	172.7	55.4	0	0	0	0	110.9	V30 I41 F48 R56 V59	V30-C44 HydrophobicContact CG2-CB 4.29Å; I41-C44 HydrophobicContact CG2-CB 4.38Å; C44-F48 HydrophobicContact CB-CD1 4.18Å; C44-R56 PolarHBondContact O-NH2 3.35Å; C44-V59 HydrophobicContact CB-CG1 3.88Å
45	S	82.9	Confident	82.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.22	C	C	.	.			trans	-74.7	154.4	-175.6	76.7	0	0	0	0	112.7	A27 F29 G47 F48 L49	A27-S45 WeakPolarHBondContact O-CB 3.36Å; A27-S45 PolarHBondContact O-OG 3.03Å; F29-S45 VanDerWaalsContact CE1-CB 3.4Å; F29-S45 PolarHBondContact N-OG 3.48Å; F29-S45 VanDerWaalsContact N-OG 3.11Å; F29-S45 PolarHBondContact O-N 3.29Å; F29-S45 PolarHBondContact O-OG 3.35Å; S45-G47 PolarHBondContact O-N 2.87Å; S45-G47 PolarHBondContact OG-N 3.02Å; S45-F48 PolarHBondContact O-N 3.46Å; S45-F48 PolarHBondContact OG-N 3.45Å; S45-L49 PolarHBondContact O-N 2.85Å
46	D	76.7	Confident	82.4	Confident	72 Å²	72	46.1 Å²	46.1	39%	0.385	21%	0.21	S	C	.	.	H	α-helix	trans	-55.9	-33.1	172.4	-89.9	28.6	0	0	0	112.4	L49 L50 R56	D46-L49 PolarHBondContact O-N 3.42Å; D46-L50 WeakPolarHBondContact O-CB 3.49Å; D46-L50 VanDerWaalsContact O-CD1 3.3Å; D46-L50 WeakPolarHBondContact O-CD1 3.42Å; D46-L50 WeakPolarHBondContact O-CG 3.13Å; D46-L50 PolarHBondContact O-N 3.09Å; D46-R56 IonicContact OD1-CZ 3.71Å; D46-R56 IonicContact OD1-NH1 2.83Å; D46-R56 IonicContact OD1-NH2 3.69Å; D46-R56 PolarHBondContact OD1-NH2 3.18Å
47	G	79.7	Confident	82.3	Confident	5 Å²	5	45.8 Å²	45.8	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-44	174.4	0	0	0	0	0	112.8	N28 S45 L50 L51	N28-G47 VanDerWaalsContact OD1-CA 3.25Å; N28-G47 WeakPolarHBondContact OD1-CA 3.43Å; N28-G47 PolarHBondContact OD1-O 3.19Å; N28-G47 VanDerWaalsContact OD1-O 3.13Å; S45-G47 PolarHBondContact O-N 2.87Å; S45-G47 PolarHBondContact OG-N 3.02Å; G47-L50 PolarHBondContact O-N 2.89Å; G47-L51 WeakPolarHBondContact O-CB 3.13Å; G47-L51 PolarHBondContact O-N 3.08Å
48	F	87	Confident	82.4	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-41.2	177.6	176.1	-95.5	0	0	0	112.5	V30 C44 S45 L51 T52 V59 F68 L69 Y129	V30-F48 HydrophobicContact CG2-CB 4.29Å; V30-F48 HydrophobicContact CG2-CD1 3.67Å; V30-F48 HydrophobicContact CG2-CD2 3.56Å; V30-F48 HydrophobicContact CG2-CE1 3.79Å; V30-F48 HydrophobicContact CG2-CE2 3.67Å; V30-F48 HydrophobicContact CG2-CG 3.54Å; V30-F48 HydrophobicContact CG2-CZ 3.77Å; C44-F48 HydrophobicContact CB-CD1 4.18Å; S45-F48 PolarHBondContact O-N 3.46Å; S45-F48 PolarHBondContact OG-N 3.45Å; F48-L51 PolarHBondContact O-N 2.88Å; F48-T52 HydrophobicContact CD2-CG2 4.02Å; F48-T52 HydrophobicContact CE1-CG2 4.27Å; F48-T52 HydrophobicContact CE2-CG2 3.64Å; F48-T52 HydrophobicContact CZ-CG2 3.79Å; F48-T52 WeakPolarHBondContact O-CB 3.35Å; F48-T52 WeakPolarHBondContact O-CG2 3.43Å; F48-T52 PolarHBondContact O-N 3.32Å; F48-T52 PolarHBondContact O-OG1 2.85Å; F48-V59 HydrophobicContact CD1-CG1 4.35Å; F48-V59 HydrophobicContact CE1-CG1 3.72Å; F48-V59 HydrophobicContact CE1-CG2 4.06Å; F48-F68 HydrophobicContact CZ-CE2 4.43Å; F48-F68 HydrophobicContact CZ-CZ 4.23Å; F48-L69 HydrophobicContact CE2-CD1 3.97Å; F48-L69 HydrophobicContact CZ-CD1 3.99Å; F48-Y129 AromaticContact CD2-CD2 3.58Å; F48-Y129 HydrophobicContact CD2-CD2 3.58Å; F48-Y129 AromaticContact CD2-CE2 3.7Å; F48-Y129 HydrophobicContact CD2-CE2 3.7Å; F48-Y129 HydrophobicContact CD2-CG 4.06Å; F48-Y129 HydrophobicContact CE2-CD1 4.24Å; F48-Y129 AromaticContact CE2-CD2 3.79Å; F48-Y129 HydrophobicContact CE2-CD2 3.79Å; F48-Y129 AromaticContact CE2-CE1 3.96Å; F48-Y129 HydrophobicContact CE2-CE1 3.96Å; F48-Y129 AromaticContact CE2-CE2 3.5Å; F48-Y129 HydrophobicContact CE2-CE2 3.5Å; F48-Y129 VanDerWaalsContact CE2-CE2 3.5Å; F48-Y129 HydrophobicContact CE2-CG 4.16Å; F48-Y129 AromaticContact CE2-CZ 3.59Å
49	L	85.3	Confident	82.5	Confident	24 Å²	24	33 Å²	33	13%	0.126	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-41.1	177.4	-60	175.6	0	0	0	111.4	S45 D46 H53 Y54 R56 V59	S45-L49 PolarHBondContact O-N 2.85Å; D46-L49 PolarHBondContact O-N 3.42Å; L49-H53 WeakPolarHBondContact O-CA 3.37Å; L49-H53 PolarHBondContact O-N 3.47Å; L49-Y54 WeakPolarHBondContact CD2-O 3.42Å; L49-R56 HydrophobicContact CD1-CB 3.92Å; L49-V59 HydrophobicContact CD2-CB 4.42Å; L49-V59 HydrophobicContact CD2-CG2 3.94Å
50	L	83.5	Confident	81.9	Confident	94 Å²	94	33.7 Å²	33.7	49%	0.492	18%	0.177	S	C	.	.	H	α-helix	trans	-66.4	-35.3	174.8	-69.7	164.4	0	0	0	113.3	D46 G47	D46-L50 WeakPolarHBondContact O-CB 3.49Å; D46-L50 VanDerWaalsContact O-CD1 3.3Å; D46-L50 WeakPolarHBondContact O-CD1 3.42Å; D46-L50 WeakPolarHBondContact O-CG 3.13Å; D46-L50 PolarHBondContact O-N 3.09Å; G47-L50 PolarHBondContact O-N 2.89Å
51	L	84.4	Confident	81.5	Confident	20 Å²	20	37.2 Å²	37.2	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-71.3	-41.3	178.2	173.3	63.1	0	0	0	112.2	N28 G47 F48 F106 K131	N28-L51 HydrophobicContact CB-CD2 4.17Å; G47-L51 WeakPolarHBondContact O-CB 3.13Å; G47-L51 PolarHBondContact O-N 3.08Å; F48-L51 PolarHBondContact O-N 2.88Å; L51-F106 HydrophobicContact CD1-CD2 4.08Å; L51-F106 HydrophobicContact CD1-CE2 3.96Å; L51-F106 HydrophobicContact CD1-CZ 4.41Å; L51-F106 HydrophobicContact CD2-CE2 3.92Å; L51-F106 HydrophobicContact CD2-CZ 4.35Å; L51-F106 HydrophobicContact CG-CE2 3.94Å; L51-F106 HydrophobicContact CG-CZ 4.09Å; L51-K131 HydrophobicContact CD1-CB 3.91Å; L51-K131 HydrophobicContact CD1-CD 3.73Å; L51-K131 HydrophobicContact CD1-CG 4.37Å
52	T	86.5	Confident	81.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-98.6	-13.9	-169.8	61.9	0	0	0	0	113.9	F48 Y54 L69 T100 R101 F106	F48-T52 HydrophobicContact CD2-CG2 4.02Å; F48-T52 HydrophobicContact CE1-CG2 4.27Å; F48-T52 HydrophobicContact CE2-CG2 3.64Å; F48-T52 HydrophobicContact CZ-CG2 3.79Å; F48-T52 WeakPolarHBondContact O-CB 3.35Å; F48-T52 WeakPolarHBondContact O-CG2 3.43Å; F48-T52 PolarHBondContact O-N 3.32Å; F48-T52 PolarHBondContact O-OG1 2.85Å; T52-Y54 WeakPolarHBondContact O-CD2 3.42Å; T52-Y54 PolarHBondContact O-N 3.15Å; T52-L69 HydrophobicContact CG2-CD1 4.01Å; T52-L69 HydrophobicContact CG2-CD2 3.82Å; T52-T100 CarbonylContact O-C 3.6Å; T52-T100 WeakPolarHBondContact O-CA 3.08Å; T52-R101 PolarHBondContact O-N 2.91Å; T52-F106 HydrophobicContact CG2-CZ 4.24Å
53	H	83.5	Confident	81.6	Confident	98 Å²	98	42.9 Å²	42.9	45%	0.454	22%	0.223	S	C	.	.			trans	64	13.7	-176.3	-61.5	-103.9	0	0	0	115.6	L49 R101	L49-H53 WeakPolarHBondContact O-CA 3.37Å; L49-H53 PolarHBondContact O-N 3.47Å; H53-R101 HydrophobicContact CB-CB 4.01Å; H53-R101 WeakPolarHBondContact O-CB 3.32Å; H53-R101 WeakPolarHBondContact O-CD 3.39Å
54	Y	83.9	Confident	81.8	Confident	50 Å²	50	40.7 Å²	40.7	20%	0.196	22%	0.215	C	C	.	.			trans	-84.1	145.4	168.2	-69.9	-97.3	0	0	0	111.2	L49 T52 N58 V59 F68 L69 R101	L49-Y54 WeakPolarHBondContact CD2-O 3.42Å; T52-Y54 WeakPolarHBondContact O-CD2 3.42Å; T52-Y54 PolarHBondContact O-N 3.15Å; Y54-N58 HydrophobicContact CD1-CB 4.15Å; Y54-V59 HydrophobicContact CG-CG2 4.38Å; Y54-F68 HydrophobicContact CD1-CD2 4.43Å; Y54-F68 HydrophobicContact CD2-CD2 4.34Å; Y54-F68 HydrophobicContact CD2-CE2 4.26Å; Y54-F68 HydrophobicContact CE1-CD2 4.08Å; Y54-F68 AromaticContact CE2-CD2 4Å; Y54-F68 HydrophobicContact CE2-CD2 4Å; Y54-F68 HydrophobicContact CE2-CE2 4.33Å; Y54-F68 HydrophobicContact CG-CE2 4.43Å; Y54-F68 AromaticContact CZ-CD2 3.86Å; Y54-F68 PolarHBondContact OH-O 3.36Å; Y54-F68 VanDerWaalsContact OH-O 3.09Å; Y54-L69 HydrophobicContact CD2-CD2 4.16Å; Y54-L69 HydrophobicContact CE2-CD2 3.74Å; Y54-R101 HydrophobicContact CD1-CB 4.41Å; Y54-R101 HydrophobicContact CD1-CG 4.24Å; Y54-R101 HydrophobicContact CD2-CB 3.92Å; Y54-R101 HydrophobicContact CE1-CB 4.33Å; Y54-R101 HydrophobicContact CE1-CG 4.13Å; Y54-R101 HydrophobicContact CE2-CB 3.81Å; Y54-R101 HydrophobicContact CE2-CG 4.49Å; Y54-R101 HydrophobicContact CG-CB 4.22Å; Y54-R101 HydrophobicContact CG-CG 4.48Å
55	S	78.6	Confident	82	Confident	13 Å²	13	41 Å²	41	9%	0.091	22%	0.216	C	C	.	.			trans	-81.2	157.9	169.6	71.9	0	0	0	0	110.8	A57 N58 V59 E1063	S55-A57 VanDerWaalsContact C-N 3.32Å; S55-A57 PolarHBondContact O-N 3.31Å; S55-N58 WeakPolarHBondContact O-CB 3.4Å; S55-N58 PolarHBondContact O-N 3.32Å; S55-N58 PolarHBondContact OG-ND2 3.05Å; S55-V59 PolarHBondContact O-N 2.87Å; S55-E1063 WeakPolarHBondContact CB-O 3.36Å; S55-E1063 PolarHBondContact OG-O 3.4Å
56	R	79	Confident	82.1	Confident	61 Å²	61	41 Å²	41	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-53.8	-47	-174.7	-176.8	159.8	-78.7	130	2	111.8	C44 D46 L49 N58 V59 M60	C44-R56 PolarHBondContact O-NH2 3.35Å; D46-R56 IonicContact OD1-CZ 3.71Å; D46-R56 IonicContact OD1-NH1 2.83Å; D46-R56 IonicContact OD1-NH2 3.69Å; D46-R56 PolarHBondContact OD1-NH2 3.18Å; L49-R56 HydrophobicContact CD1-CB 3.92Å; R56-N58 VanDerWaalsContact C-N 3.26Å; R56-N58 PolarHBondContact O-N 3.49Å; R56-V59 PolarHBondContact O-N 2.65Å; R56-M60 HydrophobicContact CG-CG 3.81Å; R56-M60 HydrophobicContact CG-SD 4.42Å; R56-M60 VanDerWaalsContact O-CG 3.28Å; R56-M60 WeakPolarHBondContact O-CG 3.5Å; R56-M60 PolarHBondContact O-N 2.85Å
57	A	71.5	Confident	82.6	Confident	58 Å²	58	42.7 Å²	42.7	48%	0.479	22%	0.221	S	C	.	.	H	α-helix	trans	-58.3	-30.1	177	0	0	0	0	0	114.4	S55 V59	S55-A57 VanDerWaalsContact C-N 3.32Å; S55-A57 PolarHBondContact O-N 3.31Å; A57-V59 VanDerWaalsContact C-N 3.34Å
58	N	79.8	Confident	82.9	Confident	59 Å²	59	44.9 Å²	44.9	32%	0.316	23%	0.23	S	C	.	.	H	α-helix	trans	-76.5	-21.2	177.3	-79.1	-88.3	0	0	0	113.5	Y54 S55 R56 R62	Y54-N58 HydrophobicContact CD1-CB 4.15Å; S55-N58 WeakPolarHBondContact O-CB 3.4Å; S55-N58 PolarHBondContact O-N 3.32Å; S55-N58 PolarHBondContact OG-ND2 3.05Å; R56-N58 VanDerWaalsContact C-N 3.26Å; R56-N58 PolarHBondContact O-N 3.49Å; N58-R62 WeakPolarHBondContact O-CG 3.17Å; N58-R62 PolarHBondContact O-NE 2.71Å; N58-R62 VanDerWaalsContact O-NE 3.17Å
59	V	81.5	Confident	83.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-100.8	-40	-173.4	175.8	0	0	0	0	112	I41 C44 F48 L49 Y54 S55 R56 A57 R62 F68	I41-V59 HydrophobicContact CD1-CG1 3.78Å; I41-V59 HydrophobicContact CG2-CG1 4.25Å; C44-V59 HydrophobicContact CB-CG1 3.88Å; F48-V59 HydrophobicContact CD1-CG1 4.35Å; F48-V59 HydrophobicContact CE1-CG1 3.72Å; F48-V59 HydrophobicContact CE1-CG2 4.06Å; L49-V59 HydrophobicContact CD2-CB 4.42Å; L49-V59 HydrophobicContact CD2-CG2 3.94Å; Y54-V59 HydrophobicContact CG-CG2 4.38Å; S55-V59 PolarHBondContact O-N 2.87Å; R56-V59 PolarHBondContact O-N 2.65Å; A57-V59 VanDerWaalsContact C-N 3.34Å; V59-R62 VanDerWaalsContact O-CB 3.27Å; V59-R62 WeakPolarHBondContact O-CB 3.37Å; V59-R62 WeakPolarHBondContact O-CG 3.45Å; V59-R62 PolarHBondContact O-N 2.93Å; V59-F68 HydrophobicContact CG1-CZ 4.33Å; V59-F68 HydrophobicContact CG2-CE2 4.44Å; V59-F68 HydrophobicContact CG2-CZ 4.4Å
60	M	76.1	Confident	83.2	Confident	42 Å²	42	46.2 Å²	46.2	21%	0.207	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	145.6	177.4	-66.5	-68.7	-74.8	0	0	110.7	I41 V42 R56 R62	I41-M60 HydrophobicContact CG2-SD 4.46Å; V42-M60 WeakPolarHBondContact O-CE 3.47Å; R56-M60 HydrophobicContact CG-CG 3.81Å; R56-M60 HydrophobicContact CG-SD 4.42Å; R56-M60 VanDerWaalsContact O-CG 3.28Å; R56-M60 WeakPolarHBondContact O-CG 3.5Å; R56-M60 PolarHBondContact O-N 2.85Å; M60-R62 PolarHBondContact O-N 3.49Å
61	S	77	Confident	83.3	Confident	99 Å²	99	42.8 Å²	42.8	69%	0.692	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	-12.9	-173.4	80.1	0	0	0	0	117.5	I41	I41-S61 PolarHBondContact O-N 3.22Å
62	R	83.6	Confident	83.2	Confident	136 Å²	136	47 Å²	47	51%	0.513	25%	0.251	S	S	.	.	S	Bend	trans	-63.9	161	171.3	-59.5	-63.9	-173.4	177.1	-4.6	110.9	P40 I41 N58 V59 M60 S64 F68	P40-R62 CarbonylContact C-O 3.52Å; P40-R62 VanDerWaalsContact CA-O 3.31Å; P40-R62 WeakPolarHBondContact CA-O 3.19Å; I41-R62 HydrophobicContact CD1-CB 4.32Å; I41-R62 VanDerWaalsContact CG1-O 3.27Å; I41-R62 WeakPolarHBondContact CG1-O 3.34Å; I41-R62 PolarHBondContact N-O 2.91Å; N58-R62 WeakPolarHBondContact O-CG 3.17Å; N58-R62 PolarHBondContact O-NE 2.71Å; N58-R62 VanDerWaalsContact O-NE 3.17Å; V59-R62 VanDerWaalsContact O-CB 3.27Å; V59-R62 WeakPolarHBondContact O-CB 3.37Å; V59-R62 WeakPolarHBondContact O-CG 3.45Å; V59-R62 PolarHBondContact O-N 2.93Å; M60-R62 PolarHBondContact O-N 3.49Å; R62-S64 PolarHBondContact O-N 3.47Å; R62-F68 HydrophobicContact CB-CD1 4.14Å; R62-F68 HydrophobicContact CB-CE1 3.85Å; R62-F68 HydrophobicContact CG-CD1 4.35Å; R62-F68 HydrophobicContact CG-CE1 4.27Å
63	S	87.7	Confident	83.1	Confident	24 Å²	24	51.9 Å²	51.9	17%	0.168	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-64.4	133.4	172.7	-175.7	0	0	0	0	111.9	Y38 I65 C66	Y38-S63 VanDerWaalsContact O-CA 3.27Å; Y38-S63 WeakPolarHBondContact O-CA 3.1Å; Y38-S63 WeakPolarHBondContact O-CB 3.5Å; Y38-S63 PolarHBondContact O-OG 3.22Å; S63-I65 PolarHBondContact O-N 3.46Å; S63-I65 WeakPolarHBondContact OG-CB 3.47Å; S63-I65 PolarHBondContact OG-N 2.96Å; S63-C66 WeakPolarHBondContact O-CA 2.96Å; S63-C66 PolarHBondContact O-N 3.37Å
64	S	86.1	Confident	83.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.4	175.1	56	0	0	0	0	114.3	Y39 R62 C66 F86	Y39-S64 WeakPolarHBondContact CB-OG 3.37Å; Y39-S64 VanDerWaalsContact O-CB 3.29Å; Y39-S64 WeakPolarHBondContact O-CB 3.4Å; Y39-S64 PolarHBondContact O-N 3.44Å; Y39-S64 PolarHBondContact O-OG 3.35Å; R62-S64 PolarHBondContact O-N 3.47Å; S64-C66 PolarHBondContact O-N 3.42Å; S64-C66 PolarHBondContact O-SG 2.99Å; S64-F86 WeakPolarHBondContact O-CZ 3.41Å; S64-F86 WeakPolarHBondContact OG-CE1 3.49Å
65	I	87.6	Confident	83.2	Confident	7 Å²	7	48 Å²	48	4%	0.036	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20	161	-62.7	169.5	0	0	0	111	Y39 S63 Q67 W70 I82 F86	Y39-I65 HydrophobicContact CD2-CD1 3.84Å; Y39-I65 HydrophobicContact CD2-CG1 4.18Å; Y39-I65 HydrophobicContact CE2-CD1 4.13Å; S63-I65 PolarHBondContact O-N 3.46Å; S63-I65 WeakPolarHBondContact OG-CB 3.47Å; S63-I65 PolarHBondContact OG-N 2.96Å; I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 HydrophobicContact CB-CG 4.24Å; I65-Q67 HydrophobicContact CG2-CG 3.65Å; I65-Q67 PolarHBondContact O-N 2.94Å; I65-W70 HydrophobicContact CG2-CH2 3.86Å; I65-W70 HydrophobicContact CG2-CZ2 3.5Å; I65-I82 HydrophobicContact CG2-CG2 4.13Å; I65-F86 HydrophobicContact CB-CD2 4.45Å; I65-F86 HydrophobicContact CB-CE2 4.38Å; I65-F86 HydrophobicContact CD1-CB 4.36Å; I65-F86 HydrophobicContact CD1-CG 4.44Å; I65-F86 HydrophobicContact CG1-CB 4.15Å; I65-F86 HydrophobicContact CG1-CD1 4.15Å; I65-F86 HydrophobicContact CG1-CD2 3.58Å; I65-F86 HydrophobicContact CG1-CE1 4.45Å; I65-F86 HydrophobicContact CG1-CE2 3.92Å; I65-F86 HydrophobicContact CG1-CG 3.7Å; I65-F86 HydrophobicContact CG1-CZ 4.34Å
66	C	85.7	Confident	83.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.29	C	S	.	.			trans	54.2	42.7	175.7	-70	0	0	0	0	113.8	S63 S64 F68 L69 Y129	S63-C66 WeakPolarHBondContact O-CA 2.96Å; S63-C66 PolarHBondContact O-N 3.37Å; S64-C66 PolarHBondContact O-N 3.42Å; S64-C66 PolarHBondContact O-SG 2.99Å; C66-F68 HydrophobicContact CB-CE1 4.03Å; C66-F68 HydrophobicContact CB-CZ 4.18Å; C66-F68 PolarHBondContact O-N 3.16Å; C66-L69 HydrophobicContact CB-CD1 3.93Å; C66-L69 HydrophobicContact CB-CG 4.18Å; C66-L69 WeakPolarHBondContact O-CB 3.27Å; C66-L69 PolarHBondContact O-N 3.45Å; C66-Y129 WeakPolarHBondContact CB-OH 3.43Å; C66-Y129 PolarHBondContact SG-OH 2.96Å
67	Q	86.2	Confident	83.9	Confident	106 Å²	106	53.4 Å²	53.4	50%	0.495	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-53.7	-25.4	176.9	-59.5	-178.7	-16.8	0	0	113.4	I65 L69 W70	I65-Q67 VanDerWaalsContact C-N 3.31Å; I65-Q67 HydrophobicContact CB-CG 4.24Å; I65-Q67 HydrophobicContact CG2-CG 3.65Å; I65-Q67 PolarHBondContact O-N 2.94Å; Q67-L69 PolarHBondContact O-N 3.49Å; Q67-W70 HydrophobicContact CB-CD2 4.36Å; Q67-W70 HydrophobicContact CB-CE3 4.28Å; Q67-W70 HydrophobicContact CB-CZ3 4.39Å; Q67-W70 HydrophobicContact CG-CE3 4.31Å; Q67-W70 HydrophobicContact CG-CH2 3.79Å; Q67-W70 HydrophobicContact CG-CZ2 4Å; Q67-W70 HydrophobicContact CG-CZ3 3.95Å; Q67-W70 WeakPolarHBondContact O-CB 3.47Å; Q67-W70 PolarHBondContact O-N 3.01Å
68	F	87.4	Confident	84.6	Confident	52 Å²	52	51 Å²	51	23%	0.228	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-70.7	-10.1	175.5	63.2	-93.2	0	0	0	114.4	I41 F48 Y54 V59 R62 C66	I41-F68 HydrophobicContact CD1-CE1 4.34Å; F48-F68 HydrophobicContact CZ-CE2 4.43Å; F48-F68 HydrophobicContact CZ-CZ 4.23Å; Y54-F68 HydrophobicContact CD1-CD2 4.43Å; Y54-F68 HydrophobicContact CD2-CD2 4.34Å; Y54-F68 HydrophobicContact CD2-CE2 4.26Å; Y54-F68 HydrophobicContact CE1-CD2 4.08Å; Y54-F68 AromaticContact CE2-CD2 4Å; Y54-F68 HydrophobicContact CE2-CD2 4Å; Y54-F68 HydrophobicContact CE2-CE2 4.33Å; Y54-F68 HydrophobicContact CG-CE2 4.43Å; Y54-F68 AromaticContact CZ-CD2 3.86Å; Y54-F68 PolarHBondContact OH-O 3.36Å; Y54-F68 VanDerWaalsContact OH-O 3.09Å; V59-F68 HydrophobicContact CG1-CZ 4.33Å; V59-F68 HydrophobicContact CG2-CE2 4.44Å; V59-F68 HydrophobicContact CG2-CZ 4.4Å; R62-F68 HydrophobicContact CB-CD1 4.14Å; R62-F68 HydrophobicContact CB-CE1 3.85Å; R62-F68 HydrophobicContact CG-CD1 4.35Å; R62-F68 HydrophobicContact CG-CE1 4.27Å; C66-F68 HydrophobicContact CB-CE1 4.03Å; C66-F68 HydrophobicContact CB-CZ 4.18Å; C66-F68 PolarHBondContact O-N 3.16Å
69	L	89.5	Confident	85.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-95.7	-2.1	173	-60.2	-177.6	0	0	0	113.1	F48 T52 Y54 C66 Q67 F98 Y99 Y129	F48-L69 HydrophobicContact CE2-CD1 3.97Å; F48-L69 HydrophobicContact CZ-CD1 3.99Å; T52-L69 HydrophobicContact CG2-CD1 4.01Å; T52-L69 HydrophobicContact CG2-CD2 3.82Å; Y54-L69 HydrophobicContact CD2-CD2 4.16Å; Y54-L69 HydrophobicContact CE2-CD2 3.74Å; C66-L69 HydrophobicContact CB-CD1 3.93Å; C66-L69 HydrophobicContact CB-CG 4.18Å; C66-L69 WeakPolarHBondContact O-CB 3.27Å; C66-L69 PolarHBondContact O-N 3.45Å; Q67-L69 PolarHBondContact O-N 3.49Å; L69-F98 HydrophobicContact CB-CB 4.06Å; L69-F98 HydrophobicContact CB-CD1 3.89Å; L69-F98 HydrophobicContact CB-CG 4.02Å; L69-F98 HydrophobicContact CD1-CD2 4.49Å; L69-F98 HydrophobicContact CD1-CG 4.44Å; L69-F98 CarbonylContact O-C 3.53Å; L69-F98 VanDerWaalsContact O-CA 3.3Å; L69-F98 WeakPolarHBondContact O-CA 3.43Å; L69-Y99 PolarHBondContact O-N 2.99Å; L69-Y129 HydrophobicContact CD1-CE1 3.83Å
70	W	88.4	Confident	85.4	Confident	52 Å²	52	57.7 Å²	57.7	20%	0.197	31%	0.311	C	S	.	.			trans	-84.6	140	-176.9	-59.3	-4.1	0	0	0	111.3	I65 Q67 T74 R79 F98	I65-W70 HydrophobicContact CG2-CH2 3.86Å; I65-W70 HydrophobicContact CG2-CZ2 3.5Å; Q67-W70 HydrophobicContact CB-CD2 4.36Å; Q67-W70 HydrophobicContact CB-CE3 4.28Å; Q67-W70 HydrophobicContact CB-CZ3 4.39Å; Q67-W70 HydrophobicContact CG-CE3 4.31Å; Q67-W70 HydrophobicContact CG-CH2 3.79Å; Q67-W70 HydrophobicContact CG-CZ2 4Å; Q67-W70 HydrophobicContact CG-CZ3 3.95Å; Q67-W70 WeakPolarHBondContact O-CB 3.47Å; Q67-W70 PolarHBondContact O-N 3.01Å; W70-T74 HydrophobicContact CB-CG2 4.31Å; W70-T74 HydrophobicContact CG-CG2 4.17Å; W70-R79 HydrophobicContact CD2-CG 4.03Å; W70-R79 HydrophobicContact CE3-CB 4.45Å; W70-R79 HydrophobicContact CE3-CG 3.91Å; W70-R79 HydrophobicContact CH2-CB 4.17Å; W70-R79 HydrophobicContact CH2-CG 4.42Å; W70-R79 HydrophobicContact CZ3-CB 4.15Å; W70-R79 HydrophobicContact CZ3-CG 4.12Å; W70-F98 AromaticContact CD1-CD1 3.99Å; W70-F98 AromaticContact CD1-CE1 3.72Å; W70-F98 AromaticContact NE1-CE1 3.87Å
71	G	85.2	Confident	86	Confident	21 Å²	21	58.3 Å²	58.3	22%	0.216	31%	0.313	C	S	.	.			trans	-146.9	-159.8	175.8	0	0	0	0	0	112.3	E73 T74 R79 Y99	G71-E73 PolarHBondContact O-N 3.16Å; G71-T74 PolarHBondContact N-OG1 3.05Å; G71-T74 WeakPolarHBondContact O-CB 3.26Å; G71-T74 PolarHBondContact O-N 3.15Å; G71-T74 PolarHBondContact O-OG1 3.32Å; G71-R79 PolarHBondContact O-NH2 3.17Å; G71-Y99 VanDerWaalsContact C-CE2 3.5Å
72	S	82.6	Confident	86.6	Confident	108 Å²	108	53.6 Å²	53.6	76%	0.755	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-40.4	-169.5	35.7	0	0	0	0	114.4	T74 Y99	S72-T74 VanDerWaalsContact C-N 3.35Å; S72-Y99 PolarHBondContact OG-OH 3.2Å; S72-Y99 VanDerWaalsContact OG-OH 3.05Å
73	E	83.2	Confident	86.8	Confident	104 Å²	104	49.3 Å²	49.3	49%	0.486	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.9	-180	-68.9	156.5	-115.8	0	0	113.7	G71 T75 V97 Y99	G71-E73 PolarHBondContact O-N 3.16Å; E73-T75 PolarHBondContact O-N 2.8Å; E73-V97 HydrophobicContact CB-CB 4.06Å; E73-V97 HydrophobicContact CB-CG1 3.8Å; E73-V97 HydrophobicContact CB-CG2 4.43Å; E73-Y99 HydrophobicContact CB-CE2 4.4Å; E73-Y99 VanDerWaalsContact CB-OH 3.3Å; E73-Y99 WeakPolarHBondContact CB-OH 3.47Å; E73-Y99 VanDerWaalsContact CD-OH 3.22Å; E73-Y99 VanDerWaalsContact CG-OH 3.29Å; E73-Y99 WeakPolarHBondContact CG-OH 3.43Å; E73-Y99 PolarHBondContact N-OH 3.37Å; E73-Y99 PolarHBondContact OE1-OH 3.07Å
74	T	85.3	Confident	86.9	Confident	1 Å²	1	52 Å²	52	1%	0.006	28%	0.277	C	S	.	.	S	Bend	trans	-71.1	97.5	174.9	-41.5	0	0	0	0	108.5	W70 G71 S72 R79 V97	W70-T74 HydrophobicContact CB-CG2 4.31Å; W70-T74 HydrophobicContact CG-CG2 4.17Å; G71-T74 PolarHBondContact N-OG1 3.05Å; G71-T74 WeakPolarHBondContact O-CB 3.26Å; G71-T74 PolarHBondContact O-N 3.15Å; G71-T74 PolarHBondContact O-OG1 3.32Å; S72-T74 VanDerWaalsContact C-N 3.35Å; T74-R79 HydrophobicContact CG2-CG 4.03Å; T74-R79 VanDerWaalsContact O-CZ 3.24Å; T74-R79 PolarHBondContact O-NE 2.94Å; T74-R79 PolarHBondContact O-NH2 3.1Å; T74-V97 WeakPolarHBondContact CB-O 3.2Å; T74-V97 WeakPolarHBondContact CG2-O 3.47Å; T74-V97 PolarHBondContact OG1-O 3.41Å
75	T	84.7	Confident	87	Confident	66 Å²	66	52 Å²	52	41%	0.405	28%	0.277	S	S	.	.			trans	-58.4	146	-171.8	55.7	0	0	0	0	112.8	E73 T77 V78 R79	E73-T75 PolarHBondContact O-N 2.8Å; T75-T77 PolarHBondContact O-N 3.19Å; T75-T77 PolarHBondContact OG1-OG1 2.84Å; T75-V78 PolarHBondContact O-N 3.09Å; T75-V78 WeakPolarHBondContact OG1-CB 3.19Å; T75-V78 VanDerWaalsContact OG1-CG2 3.31Å; T75-V78 WeakPolarHBondContact OG1-CG2 3.46Å; T75-R79 WeakPolarHBondContact O-CG 3.4Å; T75-R79 PolarHBondContact O-N 2.96Å; T75-R79 VanDerWaalsContact O-N 3.09Å
76	P	85.5	Confident	87.1	Confident	103 Å²	103	51.7 Å²	51.7	67%	0.669	28%	0.275	S	S	*	.	H	α-helix	trans	-64.1	-28.3	-178.5	25.6	-34.2	0	0	0	112.7	R79 M80	P76-R79 PolarHBondContact O-N 3.43Å; P76-M80 WeakPolarHBondContact O-CB 3.43Å; P76-M80 PolarHBondContact O-N 2.98Å
77	T	86.7	Confident	87.1	Confident	84 Å²	84	56.9 Å²	56.9	52%	0.515	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-53	172.4	50.2	0	0	0	0	111.4	T75 R79 M80 E81	T75-T77 PolarHBondContact O-N 3.19Å; T75-T77 PolarHBondContact OG1-OG1 2.84Å; T77-R79 VanDerWaalsContact C-N 3.31Å; T77-R79 PolarHBondContact O-N 3.19Å; T77-M80 WeakPolarHBondContact O-CA 3.22Å; T77-M80 WeakPolarHBondContact O-CB 3.32Å; T77-M80 PolarHBondContact O-N 2.98Å; T77-E81 WeakPolarHBondContact O-CG 3.27Å; T77-E81 PolarHBondContact O-N 3.2Å
78	V	87.1	Confident	87.1	Confident	8 Å²	8	57 Å²	57	5%	0.048	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-38.6	177.5	168.7	0	0	0	0	111.5	T75 M80 E81 I82 A96	T75-V78 PolarHBondContact O-N 3.09Å; T75-V78 WeakPolarHBondContact OG1-CB 3.19Å; T75-V78 VanDerWaalsContact OG1-CG2 3.31Å; T75-V78 WeakPolarHBondContact OG1-CG2 3.46Å; V78-M80 VanDerWaalsContact C-N 3.33Å; V78-M80 PolarHBondContact O-N 3.16Å; V78-E81 PolarHBondContact O-N 2.89Å; V78-I82 HydrophobicContact CG1-CD1 3.69Å; V78-I82 HydrophobicContact CG1-CG1 4.3Å; V78-I82 WeakPolarHBondContact O-CB 3.41Å; V78-I82 WeakPolarHBondContact O-CG1 3.33Å; V78-I82 PolarHBondContact O-N 3.26Å; V78-A96 HydrophobicContact CG1-CB 4.01Å
79	R	89.5	Confident	87	Confident	82 Å²	82	57.7 Å²	57.7	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-40.4	173	-62.4	179.1	-153.2	-166.8	3.7	112.1	W70 G71 T74 T75 P76 T77 N83	W70-R79 HydrophobicContact CD2-CG 4.03Å; W70-R79 HydrophobicContact CE3-CB 4.45Å; W70-R79 HydrophobicContact CE3-CG 3.91Å; W70-R79 HydrophobicContact CH2-CB 4.17Å; W70-R79 HydrophobicContact CH2-CG 4.42Å; W70-R79 HydrophobicContact CZ3-CB 4.15Å; W70-R79 HydrophobicContact CZ3-CG 4.12Å; G71-R79 PolarHBondContact O-NH2 3.17Å; T74-R79 HydrophobicContact CG2-CG 4.03Å; T74-R79 VanDerWaalsContact O-CZ 3.24Å; T74-R79 PolarHBondContact O-NE 2.94Å; T74-R79 PolarHBondContact O-NH2 3.1Å; T75-R79 WeakPolarHBondContact O-CG 3.4Å; T75-R79 PolarHBondContact O-N 2.96Å; T75-R79 VanDerWaalsContact O-N 3.09Å; P76-R79 PolarHBondContact O-N 3.43Å; T77-R79 VanDerWaalsContact C-N 3.31Å; T77-R79 PolarHBondContact O-N 3.19Å; R79-N83 PolarHBondContact O-N 3.07Å; R79-N83 VanDerWaalsContact O-N 3.13Å; R79-N83 PolarHBondContact O-ND2 3.41Å
80	M	87.8	Confident	86.9	Confident	117 Å²	117	61.5 Å²	61.5	58%	0.576	32%	0.322	S	S	*	.	H	α-helix	trans	-68.9	-46.4	178.2	-176.7	167.2	171.5	0	0	111.4	P76 T77 V78 I82 N83 Q84	P76-M80 WeakPolarHBondContact O-CB 3.43Å; P76-M80 PolarHBondContact O-N 2.98Å; T77-M80 WeakPolarHBondContact O-CA 3.22Å; T77-M80 WeakPolarHBondContact O-CB 3.32Å; T77-M80 PolarHBondContact O-N 2.98Å; V78-M80 VanDerWaalsContact C-N 3.33Å; V78-M80 PolarHBondContact O-N 3.16Å; M80-I82 PolarHBondContact O-N 2.77Å; M80-N83 PolarHBondContact O-N 2.57Å; M80-Q84 WeakPolarHBondContact O-CB 3.42Å; M80-Q84 WeakPolarHBondContact O-CG 3.46Å; M80-Q84 PolarHBondContact O-N 2.88Å
81	E	89.2	Confident	86.8	Confident	55 Å²	55	64.4 Å²	64.4	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-59.2	-43.9	176.2	-68.8	164	-151.1	0	0	112.6	T77 V78 Q84 A85 Y90 Y92 N94	T77-E81 WeakPolarHBondContact O-CG 3.27Å; T77-E81 PolarHBondContact O-N 3.2Å; V78-E81 PolarHBondContact O-N 2.89Å; E81-Q84 PolarHBondContact O-N 2.94Å; E81-A85 PolarHBondContact O-N 2.75Å; E81-Y90 PolarHBondContact O-OH 3.17Å; E81-Y90 VanDerWaalsContact O-OH 3.06Å; E81-Y92 HydrophobicContact CB-CD2 4.39Å; E81-Y92 HydrophobicContact CB-CE2 3.51Å; E81-Y92 WeakPolarHBondContact CB-OH 3.45Å; E81-Y92 HydrophobicContact CG-CE2 4.27Å; E81-Y92 VanDerWaalsContact OE2-CE2 3.26Å; E81-Y92 WeakPolarHBondContact OE2-CE2 3.01Å; E81-Y92 PolarHBondContact OE2-OH 3.01Å; E81-N94 PolarHBondContact OE2-ND2 2.79Å
82	I	88.7	Confident	87	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-48.9	176.1	-69	169	0	0	0	110.1	I65 V78 M80 Q84 A85 F86 Y92 F98 F110	I65-I82 HydrophobicContact CG2-CG2 4.13Å; V78-I82 HydrophobicContact CG1-CD1 3.69Å; V78-I82 HydrophobicContact CG1-CG1 4.3Å; V78-I82 WeakPolarHBondContact O-CB 3.41Å; V78-I82 WeakPolarHBondContact O-CG1 3.33Å; V78-I82 PolarHBondContact O-N 3.26Å; M80-I82 PolarHBondContact O-N 2.77Å; I82-Q84 VanDerWaalsContact C-N 3.29Å; I82-Q84 PolarHBondContact O-N 3.3Å; I82-A85 WeakPolarHBondContact O-CB 3.29Å; I82-A85 PolarHBondContact O-N 3.28Å; I82-A85 VanDerWaalsContact O-N 3.15Å; I82-F86 HydrophobicContact CG2-CD2 4.07Å; I82-F86 HydrophobicContact CG2-CE2 3.97Å; I82-F86 WeakPolarHBondContact O-CD2 3.3Å; I82-F86 PolarHBondContact O-N 2.9Å; I82-Y92 HydrophobicContact CD1-CE1 4.22Å; I82-Y92 HydrophobicContact CG1-CD1 3.96Å; I82-Y92 HydrophobicContact CG1-CE1 3.36Å; I82-F98 HydrophobicContact CD1-CZ 4.32Å; I82-F110 HydrophobicContact CD1-CD1 3.81Å; I82-F110 HydrophobicContact CD1-CE1 3.8Å; I82-F110 HydrophobicContact CG1-CD1 4.08Å; I82-F110 HydrophobicContact CG1-CE1 3.9Å; I82-F110 HydrophobicContact CG2-CE1 4.1Å
83	N	89.5	Confident	87.2	Confident	46 Å²	46	65.8 Å²	65.8	25%	0.246	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-44.3	177.3	-78.9	-58	0	0	0	111.2	R79 M80 A85 F86 H87	R79-N83 PolarHBondContact O-N 3.07Å; R79-N83 VanDerWaalsContact O-N 3.13Å; R79-N83 PolarHBondContact O-ND2 3.41Å; M80-N83 PolarHBondContact O-N 2.57Å; N83-A85 VanDerWaalsContact C-N 3.33Å; N83-A85 PolarHBondContact O-N 2.97Å; N83-F86 PolarHBondContact O-N 2.95Å; N83-H87 PolarHBondContact O-N 3.49Å; N83-H87 VanDerWaalsContact O-N 3.1Å; N83-H87 PolarHBondContact O-ND1 3.46Å
84	Q	88.1	Confident	87.4	Confident	80 Å²	80	63.9 Å²	63.9	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-37.7	177.1	-75.4	175.6	-23	0	0	112.5	M80 E81 I82 F86 H87 N88 Y90	M80-Q84 WeakPolarHBondContact O-CB 3.42Å; M80-Q84 WeakPolarHBondContact O-CG 3.46Å; M80-Q84 PolarHBondContact O-N 2.88Å; E81-Q84 PolarHBondContact O-N 2.94Å; I82-Q84 VanDerWaalsContact C-N 3.29Å; I82-Q84 PolarHBondContact O-N 3.3Å; Q84-F86 PolarHBondContact O-N 2.99Å; Q84-H87 PolarHBondContact O-N 2.81Å; Q84-N88 VanDerWaalsContact O-CB 3.26Å; Q84-N88 WeakPolarHBondContact O-CB 3.4Å; Q84-N88 PolarHBondContact O-N 3.48Å; Q84-Y90 HydrophobicContact CB-CE1 4.18Å; Q84-Y90 WeakPolarHBondContact CB-OH 3.38Å; Q84-Y90 WeakPolarHBondContact O-CE1 3.46Å
85	A	88.3	Confident	87.5	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-45.2	178.1	0	0	0	0	0	113	E81 I82 N83 H89 Y90 Y92	E81-A85 PolarHBondContact O-N 2.75Å; I82-A85 WeakPolarHBondContact O-CB 3.29Å; I82-A85 PolarHBondContact O-N 3.28Å; I82-A85 VanDerWaalsContact O-N 3.15Å; N83-A85 VanDerWaalsContact C-N 3.33Å; N83-A85 PolarHBondContact O-N 2.97Å; A85-H89 WeakPolarHBondContact O-CA 3.39Å; A85-H89 PolarHBondContact O-N 2.95Å; A85-Y90 HydrophobicContact CB-CD2 3.96Å; A85-Y90 HydrophobicContact CB-CE2 3.48Å; A85-Y90 VanDerWaalsContact CB-CE2 3.48Å; A85-Y90 PolarHBondContact N-OH 3.31Å; A85-Y90 PolarHBondContact O-N 3.27Å; A85-Y92 HydrophobicContact CB-CG 4.13Å
86	F	89.7	Confident	87.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-38.7	177	-80.1	-88	0	0	0	112.5	Y39 S64 I65 I82 N83 Q84 V112 F125	Y39-F86 HydrophobicContact CD2-CB 3.97Å; Y39-F86 AromaticContact CD2-CD1 3.93Å; Y39-F86 HydrophobicContact CD2-CD1 3.93Å; Y39-F86 HydrophobicContact CD2-CG 4.26Å; Y39-F86 HydrophobicContact CE2-CB 3.68Å; Y39-F86 HydrophobicContact CE2-CD1 4.45Å; Y39-F86 HydrophobicContact CE2-CG 4.45Å; Y39-F86 HydrophobicContact CG-CD1 4Å; Y39-F86 PolarHBondContact OH-O 3.46Å; Y39-F86 VanDerWaalsContact OH-O 3.08Å; S64-F86 WeakPolarHBondContact O-CZ 3.41Å; S64-F86 WeakPolarHBondContact OG-CE1 3.49Å; I65-F86 HydrophobicContact CB-CD2 4.45Å; I65-F86 HydrophobicContact CB-CE2 4.38Å; I65-F86 HydrophobicContact CD1-CB 4.36Å; I65-F86 HydrophobicContact CD1-CG 4.44Å; I65-F86 HydrophobicContact CG1-CB 4.15Å; I65-F86 HydrophobicContact CG1-CD1 4.15Å; I65-F86 HydrophobicContact CG1-CD2 3.58Å; I65-F86 HydrophobicContact CG1-CE1 4.45Å; I65-F86 HydrophobicContact CG1-CE2 3.92Å; I65-F86 HydrophobicContact CG1-CG 3.7Å; I65-F86 HydrophobicContact CG1-CZ 4.34Å; I82-F86 HydrophobicContact CG2-CD2 4.07Å; I82-F86 HydrophobicContact CG2-CE2 3.97Å; I82-F86 WeakPolarHBondContact O-CD2 3.3Å; I82-F86 PolarHBondContact O-N 2.9Å; N83-F86 PolarHBondContact O-N 2.95Å; Q84-F86 PolarHBondContact O-N 2.99Å; F86-V112 HydrophobicContact CD2-CG1 4.45Å; F86-V112 HydrophobicContact CE1-CG1 4.17Å; F86-V112 HydrophobicContact CE2-CG1 4.01Å; F86-V112 HydrophobicContact CE2-CG2 3.74Å; F86-V112 HydrophobicContact CZ-CG1 3.86Å; F86-V112 HydrophobicContact CZ-CG2 4.04Å; F86-F125 HydrophobicContact CB-CZ 4.49Å; F86-F125 HydrophobicContact CD1-CB 4.37Å; F86-F125 HydrophobicContact CD1-CD1 4.09Å; F86-F125 AromaticContact CD1-CD2 3.59Å; F86-F125 HydrophobicContact CD1-CD2 3.59Å; F86-F125 HydrophobicContact CD1-CE1 4.19Å; F86-F125 AromaticContact CD1-CE2 3.72Å; F86-F125 HydrophobicContact CD1-CE2 3.72Å; F86-F125 AromaticContact CD1-CG 3.78Å; F86-F125 HydrophobicContact CD1-CG 3.78Å; F86-F125 HydrophobicContact CD1-CZ 4.01Å; F86-F125 HydrophobicContact CE1-CB 3.75Å; F86-F125 HydrophobicContact CE1-CD1 4.16Å; F86-F125 AromaticContact CE1-CD2 3.81Å; F86-F125 HydrophobicContact CE1-CD2 3.81Å; F86-F125 HydrophobicContact CE1-CE2 4.4Å; F86-F125 AromaticContact CE1-CG 3.66Å; F86-F125 HydrophobicContact CE1-CG 3.66Å; F86-F125 WeakPolarHBondContact O-CZ 3.25Å
87	H	86.2	Confident	87.8	Confident	110 Å²	110	65 Å²	65	51%	0.509	30%	0.3	S	S	.	.	H	α-helix	trans	-72.3	-39.5	178.9	-74	79.2	0	0	0	113.1	N83 Q84	N83-H87 PolarHBondContact O-N 3.49Å; N83-H87 VanDerWaalsContact O-N 3.1Å; N83-H87 PolarHBondContact O-ND1 3.46Å; Q84-H87 PolarHBondContact O-N 2.81Å
88	N	85.8	Confident	88	Confident	108 Å²	108	61 Å²	61	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-95.8	2.1	-175.1	-63.7	-8.3	0	0	0	113.2	Q84 Y90	Q84-N88 VanDerWaalsContact O-CB 3.26Å; Q84-N88 WeakPolarHBondContact O-CB 3.4Å; Q84-N88 PolarHBondContact O-N 3.48Å; N88-Y90 VanDerWaalsContact C-N 3.28Å; N88-Y90 HydrophobicContact CB-CD1 3.57Å; N88-Y90 HydrophobicContact CB-CE1 3.85Å; N88-Y90 PolarHBondContact O-N 3.49Å
89	H	87.1	Confident	88	Confident	66 Å²	66	62 Å²	62	31%	0.306	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	36.1	179	-60.6	-82.1	0	0	0	115.1	A85 V122 F125	A85-H89 WeakPolarHBondContact O-CA 3.39Å; A85-H89 PolarHBondContact O-N 2.95Å; H89-V122 HydrophobicContact CB-CG2 4.12Å; H89-F125 AromaticContact CE1-CZ 3.97Å; H89-F125 AromaticContact ND1-CE2 4Å; H89-F125 AromaticContact ND1-CZ 3.35Å; H89-F125 VanDerWaalsContact ND1-CZ 3.35Å; H89-F125 WeakPolarHBondContact ND1-CZ 3.32Å
90	Y	86.1	Confident	87.9	Confident	80 Å²	80	58.4 Å²	58.4	31%	0.314	27%	0.266	S	S	.	.			trans	-97.6	160.9	174.2	65	-110	0	0	0	112.4	E81 Q84 A85 N88 Y92	E81-Y90 PolarHBondContact O-OH 3.17Å; E81-Y90 VanDerWaalsContact O-OH 3.06Å; Q84-Y90 HydrophobicContact CB-CE1 4.18Å; Q84-Y90 WeakPolarHBondContact CB-OH 3.38Å; Q84-Y90 WeakPolarHBondContact O-CE1 3.46Å; A85-Y90 HydrophobicContact CB-CD2 3.96Å; A85-Y90 HydrophobicContact CB-CE2 3.48Å; A85-Y90 VanDerWaalsContact CB-CE2 3.48Å; A85-Y90 PolarHBondContact N-OH 3.31Å; A85-Y90 PolarHBondContact O-N 3.27Å; N88-Y90 VanDerWaalsContact C-N 3.28Å; N88-Y90 HydrophobicContact CB-CD1 3.57Å; N88-Y90 HydrophobicContact CB-CE1 3.85Å; N88-Y90 PolarHBondContact O-N 3.49Å; Y90-Y92 HydrophobicContact CE2-CD2 4.3Å
91	E	86.4	Confident	87.7	Confident	113 Å²	113	57.2 Å²	57.2	53%	0.528	26%	0.255	S	S	.	.			trans	-77.6	123.8	173.7	-176.4	174.7	-170	0	0	110.4	V112	E91-V112 WeakPolarHBondContact CA-O 3.29Å
92	Y	88.8	Confident	87.4	Confident	16 Å²	16	58.7 Å²	58.7	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.2	179.3	178.5	-109.4	0	0	0	111.4	E81 I82 A85 Y90 N94 F110 T111 V112	E81-Y92 HydrophobicContact CB-CD2 4.39Å; E81-Y92 HydrophobicContact CB-CE2 3.51Å; E81-Y92 WeakPolarHBondContact CB-OH 3.45Å; E81-Y92 HydrophobicContact CG-CE2 4.27Å; E81-Y92 VanDerWaalsContact OE2-CE2 3.26Å; E81-Y92 WeakPolarHBondContact OE2-CE2 3.01Å; E81-Y92 PolarHBondContact OE2-OH 3.01Å; I82-Y92 HydrophobicContact CD1-CE1 4.22Å; I82-Y92 HydrophobicContact CG1-CD1 3.96Å; I82-Y92 HydrophobicContact CG1-CE1 3.36Å; A85-Y92 HydrophobicContact CB-CG 4.13Å; Y90-Y92 HydrophobicContact CE2-CD2 4.3Å; Y92-N94 HydrophobicContact CE1-CB 3.96Å; Y92-N94 HydrophobicContact CE2-CB 3.84Å; Y92-N94 VanDerWaalsContact CZ-CB 3.41Å; Y92-N94 VanDerWaalsContact OH-CB 3.22Å; Y92-N94 WeakPolarHBondContact OH-CB 3.33Å; Y92-F110 HydrophobicContact CD1-CD1 4.19Å; Y92-F110 HydrophobicContact CD1-CE1 4.47Å; Y92-F110 HydrophobicContact CE1-CD1 4.13Å; Y92-T111 CarbonylContact O-C 3.39Å; Y92-T111 VanDerWaalsContact O-CA 3.27Å; Y92-T111 WeakPolarHBondContact O-CA 3.43Å; Y92-V112 PolarHBondContact N-O 3.4Å; Y92-V112 PolarHBondContact O-N 3.09Å
93	R	88.6	Confident	87	Confident	143 Å²	143	61 Å²	61	54%	0.54	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	109	175.6	178	168.5	-175	-171.4	0.9	110.1	F110 T111	R93-F110 WeakPolarHBondContact CA-O 3.27Å; R93-T111 HydrophobicContact CB-CG2 4.36Å; R93-T111 HydrophobicContact CG-CG2 4.02Å
94	N	86.2	Confident	86.7	Confident	64 Å²	64	64 Å²	64	34%	0.342	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	169.5	174.3	-156.9	-8	0	0	0	110	E81 Y92 F110	E81-N94 PolarHBondContact OE2-ND2 2.79Å; Y92-N94 HydrophobicContact CE1-CB 3.96Å; Y92-N94 HydrophobicContact CE2-CB 3.84Å; Y92-N94 VanDerWaalsContact CZ-CB 3.41Å; Y92-N94 VanDerWaalsContact OH-CB 3.22Å; Y92-N94 WeakPolarHBondContact OH-CB 3.33Å; N94-F110 PolarHBondContact N-O 3.33Å; N94-F110 PolarHBondContact O-N 2.88Å
95	R	87.8	Confident	86.7	Confident	164 Å²	164	63.3 Å²	63.3	62%	0.619	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.4	169.6	-71.9	178.8	-165.1	157.1	10.6	110	C108 D109 I132	R95-C108 WeakPolarHBondContact CA-O 3.45Å; R95-D109 WeakPolarHBondContact CG-OD1 3.1Å; R95-D109 IonicContact NE-OD1 3.03Å; R95-I132 HydrophobicContact CG-CD1 4.07Å
96	A	87.1	Confident	86.6	Confident	2 Å²	2	63.6 Å²	63.6	2%	0.017	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146	170.9	0	0	0	0	0	109.8	V78 F98 T107 C108 F110	V78-A96 HydrophobicContact CG1-CB 4.01Å; A96-F98 HydrophobicContact CB-CD1 4.35Å; A96-F98 HydrophobicContact CB-CD2 4.26Å; A96-F98 HydrophobicContact CB-CE1 3.88Å; A96-F98 HydrophobicContact CB-CE2 3.77Å; A96-F98 HydrophobicContact CB-CZ 3.56Å; A96-T107 WeakPolarHBondContact O-CA 3.44Å; A96-C108 PolarHBondContact N-O 3.21Å; A96-C108 PolarHBondContact O-N 2.8Å; A96-F110 HydrophobicContact CB-CB 4.23Å
97	V	88.4	Confident	86.4	Confident	28 Å²	28	65.4 Å²	65.4	17%	0.17	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.9	161.2	-176.2	0	0	0	0	107.2	E73 T74 Y99 P105 T107	E73-V97 HydrophobicContact CB-CB 4.06Å; E73-V97 HydrophobicContact CB-CG1 3.8Å; E73-V97 HydrophobicContact CB-CG2 4.43Å; T74-V97 WeakPolarHBondContact CB-O 3.2Å; T74-V97 WeakPolarHBondContact CG2-O 3.47Å; T74-V97 PolarHBondContact OG1-O 3.41Å; V97-Y99 HydrophobicContact CG1-CE2 4.39Å; V97-P105 HydrophobicContact CG1-CB 3.88Å; V97-T107 HydrophobicContact CG2-CG2 4.41Å
98	F	90.7	Very high	86.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	162.2	176.3	-70.7	-41.8	0	0	0	110.1	L69 W70 I82 A96 P105 F106 C108 F110 Y129	L69-F98 HydrophobicContact CB-CB 4.06Å; L69-F98 HydrophobicContact CB-CD1 3.89Å; L69-F98 HydrophobicContact CB-CG 4.02Å; L69-F98 HydrophobicContact CD1-CD2 4.49Å; L69-F98 HydrophobicContact CD1-CG 4.44Å; L69-F98 CarbonylContact O-C 3.53Å; L69-F98 VanDerWaalsContact O-CA 3.3Å; L69-F98 WeakPolarHBondContact O-CA 3.43Å; W70-F98 AromaticContact CD1-CD1 3.99Å; W70-F98 AromaticContact CD1-CE1 3.72Å; W70-F98 AromaticContact NE1-CE1 3.87Å; I82-F98 HydrophobicContact CD1-CZ 4.32Å; A96-F98 HydrophobicContact CB-CD1 4.35Å; A96-F98 HydrophobicContact CB-CD2 4.26Å; A96-F98 HydrophobicContact CB-CE1 3.88Å; A96-F98 HydrophobicContact CB-CE2 3.77Å; A96-F98 HydrophobicContact CB-CZ 3.56Å; F98-P105 CarbonylContact O-C 3.38Å; F98-P105 WeakPolarHBondContact O-CA 3.48Å; F98-F106 HydrophobicContact CB-CD1 4.45Å; F98-F106 HydrophobicContact CB-CE1 3.84Å; F98-F106 HydrophobicContact CB-CE2 3.97Å; F98-F106 HydrophobicContact CB-CZ 3.57Å; F98-F106 HydrophobicContact CD2-CE2 4.41Å; F98-F106 HydrophobicContact CD2-CZ 4.48Å; F98-F106 PolarHBondContact N-O 3.19Å; F98-F106 VanDerWaalsContact O-CD1 3.27Å; F98-F106 WeakPolarHBondContact O-CD1 3.29Å; F98-F106 PolarHBondContact O-N 2.83Å; F98-C108 WeakPolarHBondContact CD2-SG 3.34Å; F98-F110 HydrophobicContact CE2-CB 4.07Å; F98-F110 HydrophobicContact CE2-CD1 4.46Å; F98-F110 AromaticContact CE2-CD2 3.94Å; F98-F110 HydrophobicContact CE2-CD2 3.94Å; F98-F110 AromaticContact CE2-CG 3.9Å; F98-F110 HydrophobicContact CE2-CG 3.9Å; F98-F110 HydrophobicContact CZ-CB 4.43Å; F98-F110 HydrophobicContact CZ-CD1 4.11Å; F98-F110 HydrophobicContact CZ-CD2 4.28Å; F98-F110 HydrophobicContact CZ-CE1 4.45Å; F98-F110 HydrophobicContact CZ-CG 4.02Å; F98-Y129 AromaticContact CD2-CD1 3.91Å; F98-Y129 HydrophobicContact CD2-CD1 3.91Å; F98-Y129 AromaticContact CD2-CE1 3.92Å; F98-Y129 HydrophobicContact CD2-CE1 3.92Å; F98-Y129 AromaticContact CE2-CD1 3.74Å; F98-Y129 HydrophobicContact CE2-CD1 3.74Å; F98-Y129 AromaticContact CE2-CE1 3.51Å; F98-Y129 HydrophobicContact CE2-CE1 3.51Å; F98-Y129 HydrophobicContact CZ-CE1 4.27Å
99	Y	88.3	Confident	86.5	Confident	28 Å²	28	56.6 Å²	56.6	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.1	-178.8	-70.9	-102.1	0	0	0	110.6	L69 G71 S72 E73 V97 E104 P105	L69-Y99 PolarHBondContact O-N 2.99Å; G71-Y99 VanDerWaalsContact C-CE2 3.5Å; S72-Y99 PolarHBondContact OG-OH 3.2Å; S72-Y99 VanDerWaalsContact OG-OH 3.05Å; E73-Y99 HydrophobicContact CB-CE2 4.4Å; E73-Y99 VanDerWaalsContact CB-OH 3.3Å; E73-Y99 WeakPolarHBondContact CB-OH 3.47Å; E73-Y99 VanDerWaalsContact CD-OH 3.22Å; E73-Y99 VanDerWaalsContact CG-OH 3.29Å; E73-Y99 WeakPolarHBondContact CG-OH 3.43Å; E73-Y99 PolarHBondContact N-OH 3.37Å; E73-Y99 PolarHBondContact OE1-OH 3.07Å; V97-Y99 HydrophobicContact CG1-CE2 4.39Å; Y99-E104 WeakPolarHBondContact CA-O 3.45Å; Y99-P105 HydrophobicContact CD1-CB 4.18Å; Y99-P105 HydrophobicContact CE1-CB 3.71Å; Y99-P105 HydrophobicContact CE1-CG 4.21Å; Y99-P105 HydrophobicContact CE2-CB 4.49Å
100	T	87.5	Confident	86.6	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.043	26%	0.262	C	S	.	.			trans	-72.8	168	171.2	65.3	0	0	0	0	111.2	T52 T102 G103 E104 F106	T52-T100 CarbonylContact O-C 3.6Å; T52-T100 WeakPolarHBondContact O-CA 3.08Å; T100-T102 PolarHBondContact O-N 2.75Å; T100-T102 VanDerWaalsContact O-N 3.12Å; T100-T102 PolarHBondContact OG1-N 3.19Å; T100-T102 PolarHBondContact OG1-OG1 3.12Å; T100-G103 PolarHBondContact O-N 2.97Å; T100-G103 PolarHBondContact OG1-N 3.37Å; T100-E104 HydrophobicContact CG2-CB 4.26Å; T100-E104 PolarHBondContact N-O 3.34Å; T100-E104 PolarHBondContact OG1-N 2.97Å; T100-E104 VanDerWaalsContact OG1-N 3.07Å; T100-F106 HydrophobicContact CG2-CD1 3.81Å; T100-F106 HydrophobicContact CG2-CE1 4Å
101	R	84	Confident	86.8	Confident	91 Å²	91	50.1 Å²	50.1	34%	0.343	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.7	167.7	-164.9	-175	-177.1	-161.2	2.6	113.4	T52 H53 Y54	T52-R101 PolarHBondContact O-N 2.91Å; H53-R101 HydrophobicContact CB-CB 4.01Å; H53-R101 WeakPolarHBondContact O-CB 3.32Å; H53-R101 WeakPolarHBondContact O-CD 3.39Å; Y54-R101 HydrophobicContact CD1-CB 4.41Å; Y54-R101 HydrophobicContact CD1-CG 4.24Å; Y54-R101 HydrophobicContact CD2-CB 3.92Å; Y54-R101 HydrophobicContact CE1-CB 4.33Å; Y54-R101 HydrophobicContact CE1-CG 4.13Å; Y54-R101 HydrophobicContact CE2-CB 3.81Å; Y54-R101 HydrophobicContact CE2-CG 4.49Å; Y54-R101 HydrophobicContact CG-CB 4.22Å; Y54-R101 HydrophobicContact CG-CG 4.48Å
102	T	82.5	Confident	86.9	Confident	87 Å²	87	44.8 Å²	44.8	53%	0.534	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.9	173	54.4	0	0	0	0	113.5	T100 E104	T100-T102 PolarHBondContact O-N 2.75Å; T100-T102 VanDerWaalsContact O-N 3.12Å; T100-T102 PolarHBondContact OG1-N 3.19Å; T100-T102 PolarHBondContact OG1-OG1 3.12Å; T102-E104 PolarHBondContact OG1-OE1 2.65Å
103	G	79.9	Confident	86.8	Confident	48 Å²	48	45 Å²	45	50%	0.495	23%	0.228	S	C	.	.	S	Bend	trans	86.4	12.3	-177.3	0	0	0	0	0	114.3	T100	T100-G103 PolarHBondContact O-N 2.97Å; T100-G103 PolarHBondContact OG1-N 3.37Å
104	E	83.8	Confident	86.8	Confident	110 Å²	110	39.3 Å²	39.3	51%	0.514	21%	0.209	S	C	.	.			trans	-82.2	126.3	176.9	-68.2	163.2	-144.4	0	0	110.3	Y99 T100 T102	Y99-E104 WeakPolarHBondContact CA-O 3.45Å; T100-E104 HydrophobicContact CG2-CB 4.26Å; T100-E104 PolarHBondContact N-O 3.34Å; T100-E104 PolarHBondContact OG1-N 2.97Å; T100-E104 VanDerWaalsContact OG1-N 3.07Å; T102-E104 PolarHBondContact OG1-OE1 2.65Å
105	P	86.7	Confident	86.6	Confident	64 Å²	64	37.4 Å²	37.4	42%	0.416	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.4	172	28.2	-32.3	0	0	0	110.9	V97 F98 Y99	V97-P105 HydrophobicContact CG1-CB 3.88Å; F98-P105 CarbonylContact O-C 3.38Å; F98-P105 WeakPolarHBondContact O-CA 3.48Å; Y99-P105 HydrophobicContact CD1-CB 4.18Å; Y99-P105 HydrophobicContact CE1-CB 3.71Å; Y99-P105 HydrophobicContact CE1-CG 4.21Å; Y99-P105 HydrophobicContact CE2-CB 4.49Å
106	F	87.4	Confident	86.2	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.5	168.5	66.8	-85.9	0	0	0	110.7	L51 T52 F98 T100 C108 K131	L51-F106 HydrophobicContact CD1-CD2 4.08Å; L51-F106 HydrophobicContact CD1-CE2 3.96Å; L51-F106 HydrophobicContact CD1-CZ 4.41Å; L51-F106 HydrophobicContact CD2-CE2 3.92Å; L51-F106 HydrophobicContact CD2-CZ 4.35Å; L51-F106 HydrophobicContact CG-CE2 3.94Å; L51-F106 HydrophobicContact CG-CZ 4.09Å; T52-F106 HydrophobicContact CG2-CZ 4.24Å; F98-F106 HydrophobicContact CB-CD1 4.45Å; F98-F106 HydrophobicContact CB-CE1 3.84Å; F98-F106 HydrophobicContact CB-CE2 3.97Å; F98-F106 HydrophobicContact CB-CZ 3.57Å; F98-F106 HydrophobicContact CD2-CE2 4.41Å; F98-F106 HydrophobicContact CD2-CZ 4.48Å; F98-F106 PolarHBondContact N-O 3.19Å; F98-F106 VanDerWaalsContact O-CD1 3.27Å; F98-F106 WeakPolarHBondContact O-CD1 3.29Å; F98-F106 PolarHBondContact O-N 2.83Å; T100-F106 HydrophobicContact CG2-CD1 3.81Å; T100-F106 HydrophobicContact CG2-CE1 4Å; F106-C108 HydrophobicContact CD2-CB 4.41Å; F106-C108 HydrophobicContact CE2-CB 4.4Å; F106-K131 HydrophobicContact CB-CD 4.12Å; F106-K131 HydrophobicContact CB-CG 4.49Å; F106-K131 HydrophobicContact CD2-CD 4.42Å; F106-K131 HydrophobicContact CD2-CG 4.45Å
107	T	85.7	Confident	85.6	Confident	39 Å²	39	37.5 Å²	37.5	24%	0.239	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.7	170.4	-37.7	0	0	0	0	109.8	A96 V97 K131 I132	A96-T107 WeakPolarHBondContact O-CA 3.44Å; V97-T107 HydrophobicContact CG2-CG2 4.41Å; T107-K131 WeakPolarHBondContact O-CA 3.17Å; T107-I132 HydrophobicContact CG2-CD1 4.22Å; T107-I132 PolarHBondContact O-N 2.85Å
108	C	86.8	Confident	84.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.9	167.4	63.2	0	0	0	0	111.8	R95 A96 F98 F106 F110 Q130	R95-C108 WeakPolarHBondContact CA-O 3.45Å; A96-C108 PolarHBondContact N-O 3.21Å; A96-C108 PolarHBondContact O-N 2.8Å; F98-C108 WeakPolarHBondContact CD2-SG 3.34Å; F106-C108 HydrophobicContact CD2-CB 4.41Å; F106-C108 HydrophobicContact CE2-CB 4.4Å; C108-F110 PolarHBondContact O-N 2.86Å; C108-Q130 CarbonylContact C-O 3.6Å; C108-Q130 WeakPolarHBondContact CA-O 3.41Å; C108-Q130 WeakPolarHBondContact CB-O 3.27Å
109	D	87.1	Confident	84	Confident	33 Å²	33	52.6 Å²	52.6	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	118.7	154.1	-69.2	-39.1	0	0	0	106.8	R95 Q130	R95-D109 WeakPolarHBondContact CG-OD1 3.1Å; R95-D109 IonicContact NE-OD1 3.03Å; D109-Q130 HydrophobicContact CB-CB 4.36Å; D109-Q130 PolarHBondContact N-O 3.29Å; D109-Q130 PolarHBondContact O-N 3.21Å
110	F	89.8	Confident	83.2	Confident	1 Å²	1	54.9 Å²	54.9	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.8	178.8	177.4	-122.5	0	0	0	109.4	I82 Y92 R93 N94 A96 F98 C108 V112 C127 S128 Y129	I82-F110 HydrophobicContact CD1-CD1 3.81Å; I82-F110 HydrophobicContact CD1-CE1 3.8Å; I82-F110 HydrophobicContact CG1-CD1 4.08Å; I82-F110 HydrophobicContact CG1-CE1 3.9Å; I82-F110 HydrophobicContact CG2-CE1 4.1Å; Y92-F110 HydrophobicContact CD1-CD1 4.19Å; Y92-F110 HydrophobicContact CD1-CE1 4.47Å; Y92-F110 HydrophobicContact CE1-CD1 4.13Å; R93-F110 WeakPolarHBondContact CA-O 3.27Å; N94-F110 PolarHBondContact N-O 3.33Å; N94-F110 PolarHBondContact O-N 2.88Å; A96-F110 HydrophobicContact CB-CB 4.23Å; F98-F110 HydrophobicContact CE2-CB 4.07Å; F98-F110 HydrophobicContact CE2-CD1 4.46Å; F98-F110 AromaticContact CE2-CD2 3.94Å; F98-F110 HydrophobicContact CE2-CD2 3.94Å; F98-F110 AromaticContact CE2-CG 3.9Å; F98-F110 HydrophobicContact CE2-CG 3.9Å; F98-F110 HydrophobicContact CZ-CB 4.43Å; F98-F110 HydrophobicContact CZ-CD1 4.11Å; F98-F110 HydrophobicContact CZ-CD2 4.28Å; F98-F110 HydrophobicContact CZ-CE1 4.45Å; F98-F110 HydrophobicContact CZ-CG 4.02Å; C108-F110 PolarHBondContact O-N 2.86Å; F110-V112 HydrophobicContact CD1-CG2 4.3Å; F110-V112 HydrophobicContact CE1-CG2 3.42Å; F110-V112 VanDerWaalsContact CE1-CG2 3.42Å; F110-V112 HydrophobicContact CE2-CG2 4.26Å; F110-V112 HydrophobicContact CZ-CG2 3.4Å; F110-C127 HydrophobicContact CE2-CB 4.09Å; F110-C127 HydrophobicContact CZ-CB 4.41Å; F110-S128 WeakPolarHBondContact CD2-O 3.5Å; F110-Y129 AromaticContact CD2-CD1 3.87Å; F110-Y129 HydrophobicContact CD2-CD1 3.87Å; F110-Y129 AromaticContact CD2-CE1 3.65Å; F110-Y129 HydrophobicContact CD2-CE1 3.65Å; F110-Y129 HydrophobicContact CD2-CE2 4.38Å; F110-Y129 HydrophobicContact CD2-CG 4.34Å; F110-Y129 AromaticContact CD2-CZ 3.91Å; F110-Y129 HydrophobicContact CE2-CD1 4.22Å; F110-Y129 AromaticContact CE2-CE1 3.58Å; F110-Y129 HydrophobicContact CE2-CE1 3.58Å; F110-Y129 AromaticContact CE2-CE2 3.9Å; F110-Y129 HydrophobicContact CE2-CE2 3.9Å; F110-Y129 AromaticContact CE2-CZ 3.38Å; F110-Y129 WeakPolarHBondContact CE2-OH 3.27Å
111	T	88.5	Confident	82.6	Confident	9 Å²	9	59 Å²	59	6%	0.055	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.7	180	67.4	0	0	0	0	111.5	Y92 R93 C127 S128 L157	Y92-T111 CarbonylContact O-C 3.39Å; Y92-T111 VanDerWaalsContact O-CA 3.27Å; Y92-T111 WeakPolarHBondContact O-CA 3.43Å; R93-T111 HydrophobicContact CB-CG2 4.36Å; R93-T111 HydrophobicContact CG-CG2 4.02Å; T111-C127 CarbonylContact O-C 3.46Å; T111-C127 VanDerWaalsContact O-CA 3.3Å; T111-C127 WeakPolarHBondContact O-CA 3.46Å; T111-S128 PolarHBondContact N-O 2.9Å; T111-S128 VanDerWaalsContact N-O 3.08Å; T111-S128 PolarHBondContact O-N 3.33Å; T111-S128 WeakPolarHBondContact OG1-CB 3.39Å; T111-S128 PolarHBondContact OG1-OG 3.21Å; T111-L157 HydrophobicContact CG2-CD1 4.5Å
112	V	89.7	Confident	82.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115	171.3	-177.1	0	0	0	0	108.5	F86 E91 Y92 F110 F125 L126	F86-V112 HydrophobicContact CD2-CG1 4.45Å; F86-V112 HydrophobicContact CE1-CG1 4.17Å; F86-V112 HydrophobicContact CE2-CG1 4.01Å; F86-V112 HydrophobicContact CE2-CG2 3.74Å; F86-V112 HydrophobicContact CZ-CG1 3.86Å; F86-V112 HydrophobicContact CZ-CG2 4.04Å; E91-V112 WeakPolarHBondContact CA-O 3.29Å; Y92-V112 PolarHBondContact N-O 3.4Å; Y92-V112 PolarHBondContact O-N 3.09Å; F110-V112 HydrophobicContact CD1-CG2 4.3Å; F110-V112 HydrophobicContact CE1-CG2 3.42Å; F110-V112 VanDerWaalsContact CE1-CG2 3.42Å; F110-V112 HydrophobicContact CE2-CG2 4.26Å; F110-V112 HydrophobicContact CZ-CG2 3.4Å; V112-F125 HydrophobicContact CG1-CB 4.45Å; V112-F125 HydrophobicContact CG1-CD1 3.68Å; V112-F125 HydrophobicContact CG1-CE1 4.31Å; V112-F125 HydrophobicContact CG1-CG 4.4Å; V112-L126 WeakPolarHBondContact CA-O 3.44Å
113	T	87.3	Confident	82.4	Confident	22 Å²	22	51.6 Å²	51.6	14%	0.135	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.6	-179.2	-50.7	0	0	0	0	109.8	I115 L126	T113-I115 PolarHBondContact O-N 3.24Å; T113-L126 PolarHBondContact N-O 3.49Å; T113-L126 PolarHBondContact O-N 3.38Å
114	P	88.2	Confident	82.6	Confident	23 Å²	23	49.8 Å²	49.8	15%	0.149	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.5	178.3	28.8	-32.8	0	0	0	111.6	V122 F125	P114-V122 HydrophobicContact CB-CG1 3.64Å; P114-V122 HydrophobicContact CB-CG2 4.05Å; P114-F125 HydrophobicContact CB-CD1 4.19Å; P114-F125 HydrophobicContact CB-CE1 4.03Å
115	I	82.2	Confident	82.8	Confident	24 Å²	24	44.6 Å²	44.6	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.8	177	-61.5	172.5	0	0	0	109.3	F14 L31 T113 V122 V123 L124 L126	F14-I115 HydrophobicContact CE1-CD1 4.2Å; F14-I115 HydrophobicContact CE1-CG2 3.78Å; F14-I115 HydrophobicContact CZ-CD1 4.42Å; F14-I115 HydrophobicContact CZ-CG2 3.88Å; L31-I115 HydrophobicContact CD2-CD1 4.06Å; T113-I115 PolarHBondContact O-N 3.24Å; I115-V122 WeakPolarHBondContact O-CA 3.35Å; I115-V123 PolarHBondContact O-N 3.02Å; I115-L124 HydrophobicContact CB-CB 4.17Å; I115-L124 HydrophobicContact CD1-CB 4.16Å; I115-L124 PolarHBondContact N-O 3.13Å; I115-L126 HydrophobicContact CD1-CB 3.97Å; I115-L126 HydrophobicContact CG1-CB 4.35Å
116	R	79.2	Confident	82.9	Confident	124 Å²	124	42.9 Å²	42.9	47%	0.468	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	149.6	178.5	-67.8	174.3	-171.2	-90.6	-2.8	112.4	S120 E121 V122	R116-S120 WeakPolarHBondContact CD-O 3.43Å; R116-S120 PolarHBondContact NH1-O 2.99Å; R116-E121 CarbonylContact C-O 3.52Å; R116-E121 WeakPolarHBondContact CA-O 3.44Å; R116-V122 HydrophobicContact CG-CG2 3.76Å
117	N	74.1	Confident	83	Confident	43 Å²	43	42.6 Å²	42.6	23%	0.23	21%	0.206	C	C	.	.			trans	-86.3	-176.6	169.5	68.8	9	0	0	0	112	R119 S120 E121 V123	N117-R119 PolarHBondContact O-N 3.47Å; N117-R119 VanDerWaalsContact O-N 3.12Å; N117-R119 WeakPolarHBondContact OD1-CA 3.41Å; N117-R119 WeakPolarHBondContact OD1-CB 3.26Å; N117-R119 PolarHBondContact OD1-N 3.09Å; N117-S120 PolarHBondContact O-N 2.72Å; N117-S120 PolarHBondContact OD1-N 2.93Å; N117-E121 PolarHBondContact N-O 3.45Å; N117-E121 PolarHBondContact ND2-OE2 3Å; N117-E121 WeakPolarHBondContact OD1-CB 3.27Å; N117-E121 PolarHBondContact OD1-N 2.94Å; N117-E121 PolarHBondContact OD1-O 2.96Å; N117-V123 HydrophobicContact CB-CG2 3.76Å
118	E	71.8	Confident	83.1	Confident	149 Å²	149	42.1 Å²	42.1	70%	0.696	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.5	178.4	-35	-166.6	133.7	0	0	113.5	F165	E118-F165 HydrophobicContact CB-CD1 4.43Å; E118-F165 HydrophobicContact CB-CE1 4.05Å; E118-F165 HydrophobicContact CG-CD1 4.28Å; E118-F165 HydrophobicContact CG-CE1 3.55Å; E118-F165 HydrophobicContact CG-CZ 3.87Å; E118-F165 WeakPolarHBondContact OE1-CZ 3.42Å
119	R	72.8	Confident	83.2	Confident	197 Å²	197	42.2 Å²	42.2	74%	0.743	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	7.1	177.1	-57.3	178.6	179.5	180	-1.1	113	N117 E121	N117-R119 PolarHBondContact O-N 3.47Å; N117-R119 VanDerWaalsContact O-N 3.12Å; N117-R119 WeakPolarHBondContact OD1-CA 3.41Å; N117-R119 WeakPolarHBondContact OD1-CB 3.26Å; N117-R119 PolarHBondContact OD1-N 3.09Å; R119-E121 HydrophobicContact CB-CG 4.02Å; R119-E121 PolarHBondContact O-N 3.03Å
120	S	72	Confident	83	Confident	76 Å²	76	44.8 Å²	44.8	53%	0.531	22%	0.216	S	C	.	.	S	Bend	trans	65.1	8.7	-173.8	-56.6	0	0	0	0	115.9	R116 N117	R116-S120 WeakPolarHBondContact CD-O 3.43Å; R116-S120 PolarHBondContact NH1-O 2.99Å; N117-S120 PolarHBondContact O-N 2.72Å; N117-S120 PolarHBondContact OD1-N 2.93Å
121	E	76.4	Confident	82.6	Confident	93 Å²	93	49.9 Å²	49.9	44%	0.435	24%	0.238	S	C	.	.			trans	-76.1	137.2	175.8	-54.4	164.1	139.9	0	0	109.6	R116 N117 R119 V123	R116-E121 CarbonylContact C-O 3.52Å; R116-E121 WeakPolarHBondContact CA-O 3.44Å; N117-E121 PolarHBondContact N-O 3.45Å; N117-E121 PolarHBondContact ND2-OE2 3Å; N117-E121 WeakPolarHBondContact OD1-CB 3.27Å; N117-E121 PolarHBondContact OD1-N 2.94Å; N117-E121 PolarHBondContact OD1-O 2.96Å; R119-E121 HydrophobicContact CB-CG 4.02Å; R119-E121 PolarHBondContact O-N 3.03Å; E121-V123 PolarHBondContact O-N 3.3Å
122	V	80.8	Confident	82	Confident	16 Å²	16	52 Å²	52	10%	0.097	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.5	177.6	-174.7	0	0	0	0	109.7	A34 H89 P114 I115 R116	A34-V122 HydrophobicContact CB-CB 4.44Å; A34-V122 HydrophobicContact CB-CG1 3.7Å; H89-V122 HydrophobicContact CB-CG2 4.12Å; P114-V122 HydrophobicContact CB-CG1 3.64Å; P114-V122 HydrophobicContact CB-CG2 4.05Å; I115-V122 WeakPolarHBondContact O-CA 3.35Å; R116-V122 HydrophobicContact CG-CG2 3.76Å
123	V	81.2	Confident	80.8	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-36.4	-176	-171.1	0	0	0	0	111.8	P10 A34 I115 N117 E121	P10-V123 HydrophobicContact CG-CG1 3.96Å; A34-V123 VanDerWaalsContact CB-C 3.49Å; A34-V123 WeakPolarHBondContact CB-O 3.26Å; A34-V123 PolarHBondContact N-O 2.79Å; I115-V123 PolarHBondContact O-N 3.02Å; N117-V123 HydrophobicContact CB-CG2 3.76Å; E121-V123 PolarHBondContact O-N 3.3Å
124	L	84.3	Confident	79.1	Confident	10 Å²	10	63.4 Å²	63.4	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.3	-176.9	-59.8	170.6	0	0	0	110.8	T9 L15 G32 I115	T9-L124 HydrophobicContact CG2-CD2 4.22Å; L15-L124 HydrophobicContact CD2-CD1 3.77Å; L15-L124 HydrophobicContact CG-CD1 4.41Å; G32-L124 CarbonylContact O-C 3.57Å; G32-L124 VanDerWaalsContact O-CA 3.26Å; G32-L124 WeakPolarHBondContact O-CA 3.35Å; I115-L124 HydrophobicContact CB-CB 4.17Å; I115-L124 HydrophobicContact CD1-CB 4.16Å; I115-L124 PolarHBondContact N-O 3.13Å
125	F	88.1	Confident	76.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.8	165.6	-74.2	-76.5	0	0	0	109.7	L31 G32 A34 Y39 F86 H89 V112 P114	L31-F125 WeakPolarHBondContact CA-O 3.3Å; G32-F125 PolarHBondContact N-O 3.29Å; G32-F125 PolarHBondContact O-N 2.95Å; A34-F125 HydrophobicContact CB-CD2 3.48Å; A34-F125 VanDerWaalsContact CB-CD2 3.48Å; A34-F125 HydrophobicContact CB-CE2 3.49Å; A34-F125 VanDerWaalsContact CB-CE2 3.49Å; A34-F125 HydrophobicContact CB-CG 4.35Å; A34-F125 HydrophobicContact CB-CZ 4.38Å; Y39-F125 HydrophobicContact CD1-CD2 4.14Å; Y39-F125 AromaticContact CD1-CE2 3.69Å; Y39-F125 HydrophobicContact CD1-CE2 3.69Å; Y39-F125 AromaticContact CE1-CE2 3.84Å; Y39-F125 HydrophobicContact CE1-CE2 3.84Å; Y39-F125 HydrophobicContact CG-CD2 4.49Å; Y39-F125 HydrophobicContact CG-CE2 4.31Å; F86-F125 HydrophobicContact CB-CZ 4.49Å; F86-F125 HydrophobicContact CD1-CB 4.37Å; F86-F125 HydrophobicContact CD1-CD1 4.09Å; F86-F125 AromaticContact CD1-CD2 3.59Å; F86-F125 HydrophobicContact CD1-CD2 3.59Å; F86-F125 HydrophobicContact CD1-CE1 4.19Å; F86-F125 AromaticContact CD1-CE2 3.72Å; F86-F125 HydrophobicContact CD1-CE2 3.72Å; F86-F125 AromaticContact CD1-CG 3.78Å; F86-F125 HydrophobicContact CD1-CG 3.78Å; F86-F125 HydrophobicContact CD1-CZ 4.01Å; F86-F125 HydrophobicContact CE1-CB 3.75Å; F86-F125 HydrophobicContact CE1-CD1 4.16Å; F86-F125 AromaticContact CE1-CD2 3.81Å; F86-F125 HydrophobicContact CE1-CD2 3.81Å; F86-F125 HydrophobicContact CE1-CE2 4.4Å; F86-F125 AromaticContact CE1-CG 3.66Å; F86-F125 HydrophobicContact CE1-CG 3.66Å; F86-F125 WeakPolarHBondContact O-CZ 3.25Å; H89-F125 AromaticContact CE1-CZ 3.97Å; H89-F125 AromaticContact ND1-CE2 4Å; H89-F125 AromaticContact ND1-CZ 3.35Å; H89-F125 VanDerWaalsContact ND1-CZ 3.35Å; H89-F125 WeakPolarHBondContact ND1-CZ 3.32Å; V112-F125 HydrophobicContact CG1-CB 4.45Å; V112-F125 HydrophobicContact CG1-CD1 3.68Å; V112-F125 HydrophobicContact CG1-CE1 4.31Å; V112-F125 HydrophobicContact CG1-CG 4.4Å; P114-F125 HydrophobicContact CB-CD1 4.19Å; P114-F125 HydrophobicContact CB-CE1 4.03Å
126	L	88	Confident	74.7	Confident	29 Å²	29	75.6 Å²	75.6	15%	0.152	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.8	169.5	174.8	60.8	0	0	0	109.3	F29 L31 V112 T113 I115	F29-L126 HydrophobicContact CB-CD1 4.06Å; F29-L126 HydrophobicContact CD2-CD1 3.43Å; F29-L126 VanDerWaalsContact CD2-CD1 3.43Å; F29-L126 HydrophobicContact CE2-CD1 4.24Å; F29-L126 HydrophobicContact CG-CD1 4.04Å; L31-L126 HydrophobicContact CD2-CB 4.2Å; L31-L126 HydrophobicContact CD2-CD1 3.95Å; V112-L126 WeakPolarHBondContact CA-O 3.44Å; T113-L126 PolarHBondContact N-O 3.49Å; T113-L126 PolarHBondContact O-N 3.38Å; I115-L126 HydrophobicContact CD1-CB 3.97Å; I115-L126 HydrophobicContact CG1-CB 4.35Å
127	C	89	Confident	72.7	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.6	-177.1	-50.6	0	0	0	0	109.1	F29 V30 F110 T111 Y129	F29-C127 CarbonylContact C-O 3.52Å; F29-C127 WeakPolarHBondContact CA-O 3.43Å; F29-C127 WeakPolarHBondContact CB-O 3.36Å; V30-C127 HydrophobicContact CB-CB 4.31Å; V30-C127 PolarHBondContact N-O 2.91Å; V30-C127 PolarHBondContact O-N 3.05Å; F110-C127 HydrophobicContact CE2-CB 4.09Å; F110-C127 HydrophobicContact CZ-CB 4.41Å; T111-C127 CarbonylContact O-C 3.46Å; T111-C127 VanDerWaalsContact O-CA 3.3Å; T111-C127 WeakPolarHBondContact O-CA 3.46Å; C127-Y129 HydrophobicContact CB-CE2 4.05Å
128	S	87.7	Confident	70.7	Confident	28 Å²	28	83.4 Å²	83.4	20%	0.196	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.9	-176.7	104.4	0	0	0	0	113.2	N28 F110 T111	N28-S128 WeakPolarHBondContact O-CA 3.18Å; F110-S128 WeakPolarHBondContact CD2-O 3.5Å; T111-S128 PolarHBondContact N-O 2.9Å; T111-S128 VanDerWaalsContact N-O 3.08Å; T111-S128 PolarHBondContact O-N 3.33Å; T111-S128 WeakPolarHBondContact OG1-CB 3.39Å; T111-S128 PolarHBondContact OG1-OG 3.21Å
129	Y	88.7	Confident	68.7	Low	3 Å²	3	81.8 Å²	81.8	1%	0.012	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	88.4	-165.9	-63.6	-98.6	0	0	0	111.9	N28 V30 F48 C66 L69 F98 F110 C127 K131	N28-Y129 VanDerWaalsContact CB-O 3.3Å; N28-Y129 WeakPolarHBondContact CB-O 3.14Å; N28-Y129 PolarHBondContact ND2-O 2.78Å; N28-Y129 PolarHBondContact O-N 2.97Å; V30-Y129 HydrophobicContact CB-CE2 4.42Å; V30-Y129 HydrophobicContact CG2-CE2 4.01Å; F48-Y129 AromaticContact CD2-CD2 3.58Å; F48-Y129 HydrophobicContact CD2-CD2 3.58Å; F48-Y129 AromaticContact CD2-CE2 3.7Å; F48-Y129 HydrophobicContact CD2-CE2 3.7Å; F48-Y129 HydrophobicContact CD2-CG 4.06Å; F48-Y129 HydrophobicContact CE2-CD1 4.24Å; F48-Y129 AromaticContact CE2-CD2 3.79Å; F48-Y129 HydrophobicContact CE2-CD2 3.79Å; F48-Y129 AromaticContact CE2-CE1 3.96Å; F48-Y129 HydrophobicContact CE2-CE1 3.96Å; F48-Y129 AromaticContact CE2-CE2 3.5Å; F48-Y129 HydrophobicContact CE2-CE2 3.5Å; F48-Y129 VanDerWaalsContact CE2-CE2 3.5Å; F48-Y129 HydrophobicContact CE2-CG 4.16Å; F48-Y129 AromaticContact CE2-CZ 3.59Å; C66-Y129 WeakPolarHBondContact CB-OH 3.43Å; C66-Y129 PolarHBondContact SG-OH 2.96Å; L69-Y129 HydrophobicContact CD1-CE1 3.83Å; F98-Y129 AromaticContact CD2-CD1 3.91Å; F98-Y129 HydrophobicContact CD2-CD1 3.91Å; F98-Y129 AromaticContact CD2-CE1 3.92Å; F98-Y129 HydrophobicContact CD2-CE1 3.92Å; F98-Y129 AromaticContact CE2-CD1 3.74Å; F98-Y129 HydrophobicContact CE2-CD1 3.74Å; F98-Y129 AromaticContact CE2-CE1 3.51Å; F98-Y129 HydrophobicContact CE2-CE1 3.51Å; F98-Y129 HydrophobicContact CZ-CE1 4.27Å; F110-Y129 AromaticContact CD2-CD1 3.87Å; F110-Y129 HydrophobicContact CD2-CD1 3.87Å; F110-Y129 AromaticContact CD2-CE1 3.65Å; F110-Y129 HydrophobicContact CD2-CE1 3.65Å; F110-Y129 HydrophobicContact CD2-CE2 4.38Å; F110-Y129 HydrophobicContact CD2-CG 4.34Å; F110-Y129 AromaticContact CD2-CZ 3.91Å; F110-Y129 HydrophobicContact CE2-CD1 4.22Å; F110-Y129 AromaticContact CE2-CE1 3.58Å; F110-Y129 HydrophobicContact CE2-CE1 3.58Å; F110-Y129 AromaticContact CE2-CE2 3.9Å; F110-Y129 HydrophobicContact CE2-CE2 3.9Å; F110-Y129 AromaticContact CE2-CZ 3.38Å; F110-Y129 WeakPolarHBondContact CE2-OH 3.27Å; C127-Y129 HydrophobicContact CB-CE2 4.05Å; Y129-K131 PolarHBondContact O-N 3.47Å
130	Q	84.4	Confident	66.5	Low	87 Å²	87	80 Å²	80	41%	0.407	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	95.6	-179	-176.5	179.2	-42.8	0	0	111	C108 D109 I132	C108-Q130 CarbonylContact C-O 3.6Å; C108-Q130 WeakPolarHBondContact CA-O 3.41Å; C108-Q130 WeakPolarHBondContact CB-O 3.27Å; D109-Q130 HydrophobicContact CB-CB 4.36Å; D109-Q130 PolarHBondContact N-O 3.29Å; D109-Q130 PolarHBondContact O-N 3.21Å; Q130-I132 PolarHBondContact O-N 3.02Å
131	K	80	Confident	64.4	Low	108 Å²	108	84.6 Å²	84.6	47%	0.47	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	134.5	176.7	-177	167.2	179.7	164.2	0	111.1	L51 F106 T107 Y129	L51-K131 HydrophobicContact CD1-CB 3.91Å; L51-K131 HydrophobicContact CD1-CD 3.73Å; L51-K131 HydrophobicContact CD1-CG 4.37Å; F106-K131 HydrophobicContact CB-CD 4.12Å; F106-K131 HydrophobicContact CB-CG 4.49Å; F106-K131 HydrophobicContact CD2-CD 4.42Å; F106-K131 HydrophobicContact CD2-CG 4.45Å; T107-K131 WeakPolarHBondContact O-CA 3.17Å; Y129-K131 PolarHBondContact O-N 3.47Å
132	I	76.2	Confident	62.1	Low	54 Å²	54	90.1 Å²	90.1	28%	0.277	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-98.8	125.6	176.9	-57.9	173.6	0	0	0	108.3	R95 T107 Q130	R95-I132 HydrophobicContact CG-CD1 4.07Å; T107-I132 HydrophobicContact CG2-CD1 4.22Å; T107-I132 PolarHBondContact O-N 2.85Å; Q130-I132 PolarHBondContact O-N 3.02Å
133	T	64.8	Low	59.5	Low	106 Å²	106	97.5 Å²	97.5	65%	0.65	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-85.6	136.8	171.1	-17.9	0	0	0	0	109.7	D135	T133-D135 VanDerWaalsContact C-N 3.32Å; T133-D135 WeakPolarHBondContact CG2-OD2 3.3Å; T133-D135 PolarHBondContact O-N 3.38Å
134	Q	52.3	Low	56.9	Low	154 Å²	154	103.1 Å²	103.1	72%	0.72	53%	0.531	S	S	*	.			trans	-83.8	1.5	-168.6	-75.6	175.3	-44.2	0	0	115.1	L136	Q134-L136 PolarHBondContact O-N 2.63Å
135	D	39.9	Very low	54	Low	143 Å²	143	106.1 Å²	106.1	77%	0.765	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	25.1	-167.2	-48.4	-52.3	0	0	0	115.8	T133	T133-D135 VanDerWaalsContact C-N 3.32Å; T133-D135 WeakPolarHBondContact CG2-OD2 3.3Å; T133-D135 PolarHBondContact O-N 3.38Å
136	L	37.6	Very low	51	Low	161 Å²	161	117 Å²	117	84%	0.843	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.7	9.2	-166.1	-100.5	166.7	0	0	0	116.3	Q134	Q134-L136 PolarHBondContact O-N 2.63Å
137	I	36	Very low	48	Very low	146 Å²	146	125.4 Å²	125.4	75%	0.749	64%	0.642	S	S	*	*	S	Bend	trans	-115	-11	-171	-67.7	179.4	0	0	0	114.7
138	H	32	Very low	44.9	Very low	185 Å²	185	132.4 Å²	132.4	86%	0.856	68%	0.677	S	S	*	*	S	Bend	trans	-143.4	59.8	-174.1	-129.2	-70.4	0	0	0	116.6
139	S	30	Very low	42	Very low	115 Å²	115	137 Å²	137	80%	0.804	70%	0.699	S	S	*	*			trans	-144.7	128.4	162.8	61	0	0	0	0	111.6
140	N	28.2	Very low	39.1	Very low	160 Å²	160	146 Å²	146	86%	0.856	74%	0.74	S	S	*	*			trans	-71.2	174.2	-175.4	-76.1	-31.9	0	0	0	114	Y142	N140-Y142 PolarHBondContact O-N 3.39Å
141	M	26.5	Very low	36.5	Very low	172 Å²	172	146 Å²	146	85%	0.847	75%	0.751	S	S	*	*			trans	-24.3	121.5	157.8	-62.1	171.1	166.2	0	0	113.7
142	Y	29.2	Very low	34.1	Very low	208 Å²	208	149.5 Å²	149.5	82%	0.816	77%	0.766	S	S	*	*				-175.7	146	107.1	-105.5	-82	0	0	0	111.4	N140	N140-Y142 PolarHBondContact O-N 3.39Å
143	Q	25.7	Very low	32.1	Very low	171 Å²	171	150.9 Å²	150.9	80%	0.799	78%	0.777	S	S	*	*			trans	-26.1	120.9	-179.3	-63.2	158	-41.7	0	0	118.8
144	S	26.5	Very low	30.5	Very low	126 Å²	126	152.2 Å²	152.2	88%	0.881	78%	0.775	S	S	*	*				-175.3	150.9	100.2	48.3	0	0	0	0	111.1
145	G	23.4	Very low	30.1	Very low	72 Å²	72	148 Å²	148	74%	0.742	76%	0.763	S	S	*	*			trans	-103.4	129.3	-160.9	0	0	0	0	0	115.9
146	Y	25.8	Very low	30.3	Very low	228 Å²	228	144.7 Å²	144.7	89%	0.894	74%	0.744	S	S	*	*			trans	-132.5	111.3	152.6	-101.7	-87	0	0	0	110
147	K	23.2	Very low	30.6	Very low	207 Å²	207	139.2 Å²	139.2	90%	0.9	72%	0.716	S	S	*	*			trans	-78	121.9	176.4	-69.5	-179.7	176.9	179.4	0	110
148	M	25.1	Very low	30.8	Very low	147 Å²	147	134.9 Å²	134.9	72%	0.724	70%	0.698	S	S	*	*			trans	-137	82.6	170.5	-89.9	-64.9	179.6	0	0	113.4
149	N	26.1	Very low	31.4	Very low	124 Å²	124	131.2 Å²	131.2	66%	0.663	68%	0.677	S	S	*	*			trans	46.3	86.6	142.3	-62.2	-19.1	0	0	0	119.2	S151	N149-S151 PolarHBondContact O-N 2.83Å
150	H	27.7	Very low	31.9	Very low	191 Å²	191	126.9 Å²	126.9	88%	0.884	65%	0.648	S	S	*	*	S	Bend	trans	-66.3	15.8	167.9	-120.9	-87.7	0	0	0	115.3
151	S	30.6	Very low	32.3	Very low	89 Å²	89	122.8 Å²	122.8	62%	0.622	63%	0.632	S	S	*	*			trans	-102.8	2.4	-156.1	57.4	0	0	0	0	116.9	N149	N149-S151 PolarHBondContact O-N 2.83Å
152	K	29.4	Very low	32.9	Very low	181 Å²	181	120.2 Å²	120.2	79%	0.787	62%	0.618	S	S	*	*	S	Bend	trans	-100.7	-11.3	-171.5	-72.6	-172.7	176	-180	0	116.5	S155	K152-S155 PolarHBondContact O-OG 3.48Å
153	T	34.1	Very low	33.4	Very low	83 Å²	83	112.5 Å²	112.5	51%	0.509	59%	0.591	S	S	.	*	S	Bend	trans	-94.3	-12.1	-171.4	44.6	0	0	0	0	115.3	S155	T153-S155 VanDerWaalsContact C-N 3.28Å; T153-S155 PolarHBondContact O-N 3.07Å
154	H	31.3	Very low	33.8	Very low	134 Å²	134	109.2 Å²	109.2	62%	0.62	58%	0.584	S	S	*	*	S	Bend	trans	-75.4	-12	178	-99.6	-106	0	0	0	114.6	I156 S158	H154-I156 PolarHBondContact O-N 3.06Å; H154-S158 WeakPolarHBondContact O-CB 3.48Å; H154-S158 PolarHBondContact O-N 2.67Å; H154-S158 PolarHBondContact O-OG 3.26Å
155	S	43.3	Very low	34.2	Very low	66 Å²	66	108.6 Å²	108.6	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-68.1	-36.5	-162.2	56.2	0	0	0	0	115.6	K152 T153 S158 W159	K152-S155 PolarHBondContact O-OG 3.48Å; T153-S155 VanDerWaalsContact C-N 3.28Å; T153-S155 PolarHBondContact O-N 3.07Å; S155-S158 WeakPolarHBondContact CA-OG 3.31Å; S155-S158 PolarHBondContact O-OG 3.04Å; S155-W159 WeakPolarHBondContact O-CB 3.48Å; S155-W159 PolarHBondContact O-N 2.96Å
156	I	44.9	Very low	34.8	Very low	73 Å²	73	107 Å²	107	37%	0.374	54%	0.543	S	S	.	.	H	α-helix	trans	-71.9	-44.5	-176.8	-65.5	178.1	0	0	0	111	A27 H154 W159 A160	A27-I156 HydrophobicContact CB-CD1 4.35Å; H154-I156 PolarHBondContact O-N 3.06Å; I156-W159 PolarHBondContact O-N 3.04Å; I156-A160 WeakPolarHBondContact O-CB 3.46Å; I156-A160 PolarHBondContact O-N 3.48Å
157	L	43.1	Very low	35	Very low	46 Å²	46	101.6 Å²	101.6	24%	0.241	52%	0.524	C	S	.	.	H	α-helix	trans	-70.5	-39.6	177.7	-71.5	164.9	0	0	0	111.5	T111 A160 S161	T111-L157 HydrophobicContact CG2-CD1 4.5Å; L157-A160 PolarHBondContact O-N 2.93Å; L157-S161 PolarHBondContact O-N 3.14Å
158	S	40.3	Very low	35.5	Very low	55 Å²	55	96.6 Å²	96.6	39%	0.385	52%	0.516	S	S	.	.	H	α-helix	trans	-63.6	-43.5	173.3	70.4	0	0	0	0	111.3	H154 S155 A160 S161 E162	H154-S158 WeakPolarHBondContact O-CB 3.48Å; H154-S158 PolarHBondContact O-N 2.67Å; H154-S158 PolarHBondContact O-OG 3.26Å; S155-S158 WeakPolarHBondContact CA-OG 3.31Å; S155-S158 PolarHBondContact O-OG 3.04Å; S158-A160 PolarHBondContact O-N 2.87Å; S158-S161 WeakPolarHBondContact CA-OG 3.34Å; S158-S161 CarbonylContact O-C 3.57Å; S158-S161 WeakPolarHBondContact O-CA 3.4Å; S158-S161 PolarHBondContact O-N 3.28Å; S158-S161 VanDerWaalsContact O-N 3.1Å; S158-S161 PolarHBondContact O-OG 2.83Å; S158-E162 WeakPolarHBondContact O-CG 3.4Å; S158-E162 PolarHBondContact O-N 2.99Å
159	W	44.4	Very low	35.8	Very low	108 Å²	108	99.7 Å²	99.7	41%	0.409	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-39.1	178.1	179.9	59.1	0	0	0	112.6	I18 S155 I156 S161 E162 L163	I18-W159 HydrophobicContact CG1-CH2 4.18Å; S155-W159 WeakPolarHBondContact O-CB 3.48Å; S155-W159 PolarHBondContact O-N 2.96Å; I156-W159 PolarHBondContact O-N 3.04Å; W159-S161 VanDerWaalsContact C-N 3.32Å; W159-S161 PolarHBondContact O-N 2.79Å; W159-E162 PolarHBondContact O-N 2.64Å; W159-E162 VanDerWaalsContact O-N 3.1Å; W159-L163 PolarHBondContact O-N 3.4Å
160	A	40.8	Very low	36.1	Very low	24 Å²	24	100.9 Å²	100.9	20%	0.198	53%	0.526	C	S	.	.	H	α-helix	trans	-61.2	-39.5	171.1	0	0	0	0	0	112	I156 L157 S158 E162 L163	I156-A160 WeakPolarHBondContact O-CB 3.46Å; I156-A160 PolarHBondContact O-N 3.48Å; L157-A160 PolarHBondContact O-N 2.93Å; S158-A160 PolarHBondContact O-N 2.87Å; A160-E162 PolarHBondContact O-N 3.32Å; A160-L163 WeakPolarHBondContact O-CB 3.42Å; A160-L163 WeakPolarHBondContact O-CD1 3.47Å; A160-L163 VanDerWaalsContact O-CG 3.32Å; A160-L163 WeakPolarHBondContact O-CG 3.42Å; A160-L163 PolarHBondContact O-N 3.12Å
161	S	36.5	Very low	36.3	Very low	74 Å²	74	100.5 Å²	100.5	52%	0.517	52%	0.524	S	S	.	.	H	α-helix	trans	-72.9	-10.1	174.4	77.3	0	0	0	0	114.5	L157 S158 W159 S166	L157-S161 PolarHBondContact O-N 3.14Å; S158-S161 WeakPolarHBondContact CA-OG 3.34Å; S158-S161 CarbonylContact O-C 3.57Å; S158-S161 WeakPolarHBondContact O-CA 3.4Å; S158-S161 PolarHBondContact O-N 3.28Å; S158-S161 VanDerWaalsContact O-N 3.1Å; S158-S161 PolarHBondContact O-OG 2.83Å; W159-S161 VanDerWaalsContact C-N 3.32Å; W159-S161 PolarHBondContact O-N 2.79Å; S161-S166 PolarHBondContact O-OG 2.88Å
162	E	38.6	Very low	36.2	Very low	117 Å²	117	105 Å²	105	55%	0.547	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-2.7	176.3	-70.1	-140.3	100.1	0	0	114	S158 W159 A160 K167	S158-E162 WeakPolarHBondContact O-CG 3.4Å; S158-E162 PolarHBondContact O-N 2.99Å; W159-E162 PolarHBondContact O-N 2.64Å; W159-E162 VanDerWaalsContact O-N 3.1Å; A160-E162 PolarHBondContact O-N 3.32Å; E162-K167 IonicContact OE1-NZ 3.75Å; E162-K167 PolarHBondContact OE1-NZ 3.41Å
163	L	41	Very low	36.2	Very low	46 Å²	46	105.2 Å²	105.2	24%	0.241	54%	0.539	C	S	.	.	S	Bend	trans	-59.4	145.1	-179.8	-68.3	172.5	0	0	0	111.9	F14 W159 A160 F165 S166	F14-L163 HydrophobicContact CE2-CD1 3.81Å; F14-L163 HydrophobicContact CE2-CD2 4.01Å; F14-L163 HydrophobicContact CE2-CG 4.49Å; F14-L163 HydrophobicContact CZ-CD1 4.05Å; W159-L163 PolarHBondContact O-N 3.4Å; A160-L163 WeakPolarHBondContact O-CB 3.42Å; A160-L163 WeakPolarHBondContact O-CD1 3.47Å; A160-L163 VanDerWaalsContact O-CG 3.32Å; A160-L163 WeakPolarHBondContact O-CG 3.42Å; A160-L163 PolarHBondContact O-N 3.12Å; L163-F165 PolarHBondContact O-N 2.72Å; L163-S166 PolarHBondContact O-N 2.8Å; L163-S166 PolarHBondContact O-OG 3.25Å
164	P	34.6	Very low	36.1	Very low	102 Å²	102	108.9 Å²	108.9	66%	0.662	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	-24.5	-170	-29.8	36.3	0	0	0	116.5
165	F	34.9	Very low	35.8	Very low	114 Å²	114	109.6 Å²	109.6	50%	0.5	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88	-8.8	-177.1	-60.9	-73.1	0	0	0	114.8	E118 L163	E118-F165 HydrophobicContact CB-CD1 4.43Å; E118-F165 HydrophobicContact CB-CE1 4.05Å; E118-F165 HydrophobicContact CG-CD1 4.28Å; E118-F165 HydrophobicContact CG-CE1 3.55Å; E118-F165 HydrophobicContact CG-CZ 3.87Å; E118-F165 WeakPolarHBondContact OE1-CZ 3.42Å; L163-F165 PolarHBondContact O-N 2.72Å
166	S	35.8	Very low	35	Very low	38 Å²	38	113.4 Å²	113.4	27%	0.266	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.3	-37.1	-178.8	62.2	0	0	0	0	113.8	S161 L163 S168	S161-S166 PolarHBondContact O-OG 2.88Å; L163-S166 PolarHBondContact O-N 2.8Å; L163-S166 PolarHBondContact O-OG 3.25Å; S166-S168 VanDerWaalsContact C-N 3.27Å; S166-S168 PolarHBondContact O-N 2.87Å
167	K	30	Very low	34.2	Very low	114 Å²	114	119.3 Å²	119.3	50%	0.496	60%	0.602	S	S	.	*	H	α-helix	trans	-73.8	-14.6	-168.9	-76.3	172.7	175	167.1	0	113.7	E162 Y169	E162-K167 IonicContact OE1-NZ 3.75Å; E162-K167 PolarHBondContact OE1-NZ 3.41Å; K167-Y169 VanDerWaalsContact C-N 3.32Å; K167-Y169 PolarHBondContact O-N 3.05Å
168	S	33.9	Very low	33.4	Very low	103 Å²	103	122.8 Å²	122.8	72%	0.72	62%	0.621	S	S	*	*	H	α-helix	trans	-76.8	-5.1	-175.4	-51.2	0	0	0	0	115.9	S166	S166-S168 VanDerWaalsContact C-N 3.27Å; S166-S168 PolarHBondContact O-N 2.87Å
169	Y	31.1	Very low	32.6	Very low	211 Å²	211	127.8 Å²	127.8	83%	0.827	64%	0.638	S	S	*	*	H	α-helix	trans	-127.6	-18.6	-176.6	-135.5	-94	0	0	0	115	K167	K167-Y169 VanDerWaalsContact C-N 3.32Å; K167-Y169 PolarHBondContact O-N 3.05Å
170	L	31.5	Very low	31.7	Very low	150 Å²	150	128.7 Å²	128.7	79%	0.785	66%	0.656	S	S	*	*	H	α-helix	trans	-84.6	-10.7	-176.8	-82.8	164	0	0	0	114.3	M172	L170-M172 VanDerWaalsContact C-N 3.29Å; L170-M172 PolarHBondContact O-N 2.75Å
171	H	33	Very low	31	Very low	182 Å²	182	133.2 Å²	133.2	84%	0.843	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	11.3	-168.7	-141.8	-61.7	0	0	0	115.3
172	M	28.7	Very low	30.5	Very low	183 Å²	183	137 Å²	137	90%	0.901	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	7.3	-169.5	-140	179.3	96.5	0	0	115.3	L170	L170-M172 VanDerWaalsContact C-N 3.29Å; L170-M172 PolarHBondContact O-N 2.75Å
173	K	29	Very low	29.9	Very low	187 Å²	187	137.5 Å²	137.5	81%	0.813	70%	0.697	S	S	*	*	S	Bend	trans	-140.5	33	-168.4	-149.1	-169	177.5	-177.8	0	116.6
174	N	31.4	Very low	29.2	Very low	159 Å²	159	142.1 Å²	142.1	85%	0.85	72%	0.722	S	S	*	*			trans	-157.2	73.1	163.1	-113.4	3.6	0	0	0	112
175	N	24.8	Very low	28.9	Very low	149 Å²	149	145.6 Å²	145.6	80%	0.797	73%	0.729	S	S	*	*			trans	-94.5	157	150.3	-78.1	-16.4	0	0	0	108
176	N	27.1	Very low	28.6	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	74%	0.738	S	S	*	*			trans	93.6	150.8	180	-50.2	-15.1	0	0	0	115.6
177	F	27.8	Very low	28.3	Very low	198 Å²	198	149.5 Å²	149.5	87%	0.868	76%	0.759	S	S	*	*			trans	71.7	56.8	-178.8	-76.8	-84.7	0	0	0	117.7
178	N	25.9	Very low	28.1	Very low	119 Å²	119	149.8 Å²	149.8	64%	0.636	77%	0.765	S	S	*	*				33.7	129.4	111.9	-64.9	48.8	0	0	0	121
179	E	24.1	Very low	27.6	Very low	159 Å²	159	150.8 Å²	150.8	74%	0.743	76%	0.758	S	S	*	*				53.5	119.8	125	-51.7	169.4	128.4	0	0	118.5
180	T	25.8	Very low	27.2	Very low	128 Å²	128	149.5 Å²	149.5	79%	0.785	75%	0.752	S	S	*	*				-176.9	176.8	74.4	35.1	0	0	0	0	111.4
181	V	26.2	Very low	26.9	Very low	118 Å²	118	147.3 Å²	147.3	72%	0.715	75%	0.749	S	S	*	*			trans	62.8	72.1	165.2	-157.5	0	0	0	0	117.6
182	E	24.7	Very low	26.3	Very low	155 Å²	155	148.4 Å²	148.4	72%	0.724	75%	0.748	S	S	*	*				54.3	152.7	105.3	-63.6	-171.9	141.1	0	0	123.6
183	N	25.6	Very low	25.9	Very low	126 Å²	126	144 Å²	144	67%	0.674	74%	0.735	S	S	*	*			trans	59.8	77.9	147	-57.7	-19.6	0	0	0	118.5
184	N	28.1	Very low	25.7	Very low	143 Å²	143	144.3 Å²	144.3	77%	0.765	74%	0.736	S	S	*	*				-157	135.5	83.9	-92.1	-25.3	0	0	0	114.2
185	E	28.3	Very low	25.3	Very low	175 Å²	175	142.7 Å²	142.7	82%	0.818	73%	0.732	S	S	*	*			trans	24.3	143.8	138	-54.6	-174	140.6	0	0	121.1
186	A	28.4	Very low	25.2	Very low	84 Å²	84	141.8 Å²	141.8	69%	0.694	73%	0.727	S	S	*	*			cis	-175.2	152.2	-15.5	0	0	0	0	0	106.5
187	H	29.2	Very low	25.1	Very low	151 Å²	151	142.1 Å²	142.1	70%	0.699	73%	0.728	S	S	*	*			cis	-143.1	136.3	-19.6	-129.1	-120.7	0	0	0	102.3
188	L	24.5	Very low	24.9	Very low	120 Å²	120	137.5 Å²	137.5	63%	0.628	72%	0.716	S	S	*	*				45.1	128.1	82	-54.8	173.9	0	0	0	111.5
189	Q	25.3	Very low	24.8	Very low	123 Å²	123	139.5 Å²	139.5	58%	0.575	72%	0.721	S	S	*	*			cis	-166.5	-176.8	20.2	-129.9	160.2	12.8	0	0	112.1
190	R	22.1	Very low	24.8	Very low	184 Å²	184	137.1 Å²	137.1	69%	0.694	72%	0.718	S	S	*	*			trans	-7.3	135.1	134.8	-57.3	160.9	-172.3	145.9	-3.1	112.3	Y192	R190-Y192 HydrophobicContact CB-CD2 4.24Å; R190-Y192 HydrophobicContact CG-CD2 4.23Å; R190-Y192 HydrophobicContact CG-CE2 4.4Å
191	S	24.1	Very low	24.7	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	71%	0.714	S	S	*	*				-150.4	153.9	61.1	-62.7	0	0	0	0	110.8
192	Y	20.6	Very low	24.7	Very low	205 Å²	205	137.1 Å²	137.1	80%	0.804	72%	0.716	S	S	*	*				54.2	142.4	52.8	-67.5	-86.9	0	0	0	110.1	R190	R190-Y192 HydrophobicContact CB-CD2 4.24Å; R190-Y192 HydrophobicContact CG-CD2 4.23Å; R190-Y192 HydrophobicContact CG-CE2 4.4Å
193	S	21.9	Very low	24.7	Very low	90 Å²	90	136.8 Å²	136.8	63%	0.629	72%	0.718	S	S	*	*			cis	-167.8	174.3	14.2	36	0	0	0	0	109.9
194	K	22.9	Very low	24.6	Very low	193 Å²	193	135.7 Å²	135.7	84%	0.839	72%	0.72	S	S	*	*			trans	39.9	126.4	139.7	-67.4	167.7	179.3	-177.2	0	119.5
195	V	24	Very low	24.4	Very low	126 Å²	126	130.9 Å²	130.9	76%	0.764	70%	0.704	S	S	*	*			trans	168	126.4	133.6	146.4	0	0	0	0	106.5
196	N	23.2	Very low	24.3	Very low	129 Å²	129	128 Å²	128	69%	0.69	70%	0.703	S	S	*	*			cis	-135.3	172.5	-17.4	-87.7	-24.6	0	0	0	105.8
197	L	23.7	Very low	24.5	Very low	153 Å²	153	128.1 Å²	128.1	80%	0.801	70%	0.697	S	S	*	*				46.2	134.4	62.1	-92.4	78.2	0	0	0	112.1
198	T	23.5	Very low	24.2	Very low	102 Å²	102	128.6 Å²	128.6	63%	0.626	70%	0.7	S	S	*	*			cis	-141.5	176.5	11.3	48.5	0	0	0	0	111.7
199	Q	24.4	Very low	24.2	Very low	160 Å²	160	129.9 Å²	129.9	75%	0.748	70%	0.703	S	S	*	*			trans	27.3	140.6	132	-62.2	168.4	-67	0	0	119.6
200	T	24.6	Very low	24.1	Very low	110 Å²	110	129.9 Å²	129.9	68%	0.675	71%	0.706	S	S	*	*			cis	-170.7	160.3	9.8	9.2	0	0	0	0	110.4
201	S	24.4	Very low	24.3	Very low	99 Å²	99	126.5 Å²	126.5	69%	0.692	70%	0.702	S	S	*	*			trans	65.3	150.4	140.3	73.2	0	0	0	0	119.5
202	I	24.3	Very low	24.2	Very low	147 Å²	147	128 Å²	128	75%	0.754	70%	0.698	S	S	*	*			cis	-157.7	166.9	-9.5	-116.3	169.8	0	0	0	108
203	L	25	Very low	24.4	Very low	147 Å²	147	127.1 Å²	127.1	77%	0.77	69%	0.694	S	S	*	*			trans	-11.8	161.6	162.1	-79.6	73.1	0	0	0	119.9
204	S	24	Very low	24.4	Very low	104 Å²	104	130.3 Å²	130.3	73%	0.727	70%	0.699	S	S	*	*			cis	-170.8	172.7	1.1	38.9	0	0	0	0	110.6
205	G	24	Very low	24.4	Very low	42 Å²	42	128.5 Å²	128.5	43%	0.433	69%	0.694	S	S	.	*			trans	84	128	154.6	0	0	0	0	0	116.6
206	S	26.6	Very low	24.3	Very low	113 Å²	113	125.5 Å²	125.5	79%	0.79	68%	0.678	S	S	*	*			cis	54.7	153.2	11.5	90.3	0	0	0	0	116.2
207	P	31.5	Very low	24.5	Very low	88 Å²	88	127.4 Å²	127.4	57%	0.571	68%	0.683	S	S	*	*			cis	-129.3	-150.8	-1	33.3	-9.2	0	0	0	112.7
208	E	23.8	Very low	24.5	Very low	160 Å²	160	125.1 Å²	125.1	75%	0.748	68%	0.675	S	S	*	*			trans	31.8	150.7	131.5	-71.9	131.2	-137.1	0	0	120.9
209	E	24.5	Very low	24.4	Very low	148 Å²	148	125.5 Å²	125.5	69%	0.692	68%	0.682	S	S	*	*			cis	-168.1	165.8	-1.1	-123.3	178.9	-175.4	0	0	112
210	N	24.2	Very low	24.3	Very low	122 Å²	122	123.3 Å²	123.3	65%	0.652	68%	0.68	S	S	*	*			trans	54.4	-178.7	153.8	-48.7	-31.3	0	0	0	117.7
211	D	24.6	Very low	24.2	Very low	114 Å²	114	124.4 Å²	124.4	61%	0.61	68%	0.681	S	S	*	*			cis	-141	134.5	16.3	-85.8	-48.7	0	0	0	110.7
212	Q	23.1	Very low	24.1	Very low	137 Å²	137	125.3 Å²	125.3	64%	0.64	68%	0.683	S	S	*	*				92.6	171.4	95.5	-69.2	-178.6	33	0	0	115.7
213	Y	23.5	Very low	24	Very low	185 Å²	185	123.4 Å²	123.4	73%	0.725	68%	0.683	S	S	*	*			trans	70.6	137.7	174.3	-58.4	-95.8	0	0	0	116.7
214	E	23.3	Very low	23.9	Very low	158 Å²	158	124.4 Å²	124.4	74%	0.738	68%	0.683	S	S	*	*			cis	-166	155.1	-17	-114.6	-171.9	153.7	0	0	107
215	E	22.9	Very low	23.8	Very low	154 Å²	154	126 Å²	126	72%	0.72	68%	0.683	S	S	*	*			cis	-147.2	-104.8	-17.7	-145.5	-64.7	87.6	0	0	109.8
216	S	22.2	Very low	23.7	Very low	63 Å²	63	130.7 Å²	130.7	44%	0.441	70%	0.697	S	S	.	*			trans	-144.8	167.4	-163	68.4	0	0	0	0	116.6
217	H	27.4	Very low	23.5	Very low	170 Å²	170	130.2 Å²	130.2	79%	0.787	69%	0.693	S	S	*	*			trans	168.6	95.5	136.9	-89.7	-54	0	0	0	109.3
218	T	22.4	Very low	23.1	Very low	104 Å²	104	134.2 Å²	134.2	64%	0.638	70%	0.702	S	S	*	*				70.5	123.5	84	60.4	0	0	0	0	116.7
219	S	22	Very low	23.1	Very low	110 Å²	110	134 Å²	134	77%	0.769	70%	0.701	S	S	*	*			trans	72.1	154.1	161.6	87.1	0	0	0	0	117.3
220	T	22.2	Very low	23.2	Very low	115 Å²	115	131.6 Å²	131.6	71%	0.706	70%	0.699	S	S	*	*			cis	-161.6	173.6	-22.4	16.1	0	0	0	0	109.5
221	N	21.6	Very low	23.3	Very low	132 Å²	132	130.6 Å²	130.6	71%	0.706	69%	0.693	S	S	*	*			trans	69.3	98.6	150.9	-66.8	-5.7	0	0	0	121.3
222	T	22.7	Very low	23.3	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.724	69%	0.687	S	S	*	*				48.8	147.5	117.7	59.9	0	0	0	0	123.4
223	S	22.9	Very low	23.5	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	69%	0.69	S	S	*	*			trans	83	153.2	154.6	90.7	0	0	0	0	116.3
224	Q	23.2	Very low	23.7	Very low	167 Å²	167	125.2 Å²	125.2	78%	0.78	68%	0.683	S	S	*	*			cis	-166.9	156.5	-18.9	-119.2	-177.3	0.7	0	0	109.9
225	L	20.7	Very low	23.8	Very low	137 Å²	137	119.6 Å²	119.6	72%	0.717	67%	0.667	S	S	*	*			trans	61.3	145.2	164.9	-81.5	75.3	0	0	0	115.8
226	I	22	Very low	24.1	Very low	142 Å²	142	117.9 Å²	117.9	73%	0.728	67%	0.668	S	S	*	*			cis	81.1	114.3	46	-62.2	174	0	0	0	113.7
227	S	22.7	Very low	24.3	Very low	102 Å²	102	122 Å²	122	71%	0.713	68%	0.683	S	S	*	*			trans	73.7	165.4	167.9	81.8	0	0	0	0	116.2
228	K	23.4	Very low	24.2	Very low	172 Å²	172	118.4 Å²	118.4	75%	0.748	68%	0.677	S	S	*	*			cis	-161.3	150.8	14.3	-143.1	155.4	-173.1	176.7	0	111.4
229	H	24.4	Very low	24.4	Very low	157 Å²	157	119.8 Å²	119.8	73%	0.727	69%	0.686	S	S	*	*			trans	49.4	122.3	140.9	-83.9	-116.2	0	0	0	121.4
230	C	25.3	Very low	24.7	Very low	96 Å²	96	120.4 Å²	120.4	65%	0.649	69%	0.685	S	S	*	*				82.4	156.2	86.8	-70.4	0	0	0	0	114.9
231	L	26.7	Very low	24.9	Very low	101 Å²	101	119.7 Å²	119.7	53%	0.529	69%	0.685	S	S	.	*			cis	-166.5	151.8	-4.3	-113.9	166.5	0	0	0	112.4	T1378	L231-T1378 HydrophobicContact CD1-CG2 4.32Å; L231-T1378 HydrophobicContact CD2-CG2 3.65Å; L231-T1378 WeakPolarHBondContact CD2-OG1 3.19Å; L231-T1378 HydrophobicContact CG-CG2 4.47Å
232	N	25.1	Very low	25.1	Very low	90 Å²	90	123.3 Å²	123.3	48%	0.481	70%	0.695	S	S	.	*			trans	64	168.9	143.7	-83.9	-2	0	0	0	125
233	I	26.7	Very low	25.2	Very low	140 Å²	140	121.9 Å²	121.9	72%	0.718	69%	0.689	S	S	*	*			trans	99.7	83.8	158.4	-52.1	-173.7	0	0	0	114.7
234	T	27.4	Very low	25.3	Very low	94 Å²	94	123 Å²	123	58%	0.577	69%	0.692	S	S	*	*				74.7	125.6	67.4	69.6	0	0	0	0	117.5	C1374	T234-C1374 VanDerWaalsContact CA-SG 3.59Å
235	G	27.1	Very low	25.5	Very low	39 Å²	39	119.1 Å²	119.1	40%	0.402	68%	0.683	S	S	.	*			trans	147.1	87.9	167.4	0	0	0	0	0	113	C1374	G235-C1374 PolarHBondContact N-SG 3.45Å
236	T	27.4	Very low	26	Very low	119 Å²	119	122.3 Å²	122.3	73%	0.73	69%	0.687	S	S	*	*				78.3	153.2	64.3	68.6	0	0	0	0	116.6
237	I	27.2	Very low	26.3	Very low	149 Å²	149	119.9 Å²	119.9	76%	0.764	68%	0.683	S	S	*	*			trans	80.4	110.5	173.5	-51	169	0	0	0	113.7
238	S	25.3	Very low	26.5	Very low	94 Å²	94	121.2 Å²	121.2	66%	0.657	68%	0.682	S	S	*	*			cis	88.2	105.7	20.1	93.1	0	0	0	0	117.6
239	T	27.7	Very low	26.7	Very low	134 Å²	134	120.3 Å²	120.3	82%	0.822	68%	0.68	S	S	*	*			trans	-172.2	123	145.1	25.6	0	0	0	0	106.9
240	T	27	Very low	26.8	Very low	122 Å²	122	119.8 Å²	119.8	75%	0.748	68%	0.683	S	S	*	*			cis	74.4	86.6	31.4	78.4	0	0	0	0	116.6
241	S	26.9	Very low	27	Very low	101 Å²	101	123.2 Å²	123.2	71%	0.706	69%	0.694	S	S	*	*			trans	-162.1	114.6	147.3	43.5	0	0	0	0	108.2
242	F	24.6	Very low	27.3	Very low	207 Å²	207	126.7 Å²	126.7	91%	0.908	71%	0.712	S	S	*	*				71.5	136.7	93.4	-77	-61.2	0	0	0	113.4
243	S	25.1	Very low	27.3	Very low	88 Å²	88	132 Å²	132	62%	0.615	73%	0.731	S	S	*	*			cis	-164.2	-179.5	6	53.9	0	0	0	0	112.1
244	T	26.5	Very low	27.2	Very low	132 Å²	132	133 Å²	133	81%	0.81	73%	0.733	S	S	*	*			trans	66.1	145.5	162	63.1	0	0	0	0	118.3
245	S	26.5	Very low	27.1	Very low	85 Å²	85	132.5 Å²	132.5	59%	0.594	73%	0.733	S	S	*	*			cis	-162.7	168.5	-15.6	45	0	0	0	0	110.7
246	Y	31	Very low	27.1	Very low	205 Å²	205	140.7 Å²	140.7	80%	0.804	76%	0.76	S	S	*	*			trans	65.8	116.6	175.2	-61.7	-77.6	0	0	0	114.9
247	S	27.5	Very low	27	Very low	90 Å²	90	140 Å²	140	63%	0.629	75%	0.751	S	S	*	*			cis	65	131.1	21.9	107.4	0	0	0	0	113.9
248	N	27	Very low	26.8	Very low	131 Å²	131	139.3 Å²	139.3	70%	0.701	75%	0.749	S	S	*	*			cis	-154.6	162.4	14.1	-127.1	-5.1	0	0	0	113.4
249	Q	27.7	Very low	26.8	Very low	153 Å²	153	142.8 Å²	142.8	72%	0.715	76%	0.758	S	S	*	*			trans	74.1	112.3	151.3	-74.1	160.1	-43.3	0	0	121.4
250	D	27.7	Very low	26.6	Very low	145 Å²	145	144.1 Å²	144.1	78%	0.775	75%	0.753	S	S	*	*			trans	98.4	127.8	136.7	-56.9	-7	0	0	0	121.2
251	L	29.4	Very low	26.5	Very low	168 Å²	168	149.5 Å²	149.5	88%	0.88	76%	0.76	S	S	*	*	S	Bend	trans	68.8	70.2	165.6	-67.6	162.1	0	0	0	119.4
252	L	31.8	Very low	26.4	Very low	175 Å²	175	150.7 Å²	150.7	92%	0.916	76%	0.758	S	S	*	*				-175.2	65.8	117.8	-99.2	169.8	0	0	0	113.4
253	K	26.4	Very low	26.4	Very low	201 Å²	201	144.6 Å²	144.6	87%	0.874	74%	0.741	S	S	*	*			trans	-119	123.6	151.3	-105.2	-169.4	178.4	-177.6	0	106.8
254	E	23.4	Very low	26.6	Very low	162 Å²	162	149.9 Å²	149.9	76%	0.757	75%	0.749	S	S	*	*			trans	157.6	151.2	163.2	-95.7	173.9	-157.9	0	0	108.3	I257	E254-I257 HydrophobicContact CG-CD1 3.66Å; E254-I257 HydrophobicContact CG-CG1 4.49Å
255	S	26.6	Very low	26.5	Very low	83 Å²	83	150.1 Å²	150.1	58%	0.58	75%	0.745	S	S	*	*			cis	-160.2	116.9	-2	47.1	0	0	0	0	111.7	I257	S255-I257 PolarHBondContact O-N 3.46Å
256	Q	26.6	Very low	26.5	Very low	210 Å²	210	152.8 Å²	152.8	98%	0.981	76%	0.758	S	S	*	*				-79.4	88.4	126.2	-89.6	-163.8	-2	0	0	106.3
257	I	25.6	Very low	26.2	Very low	105 Å²	105	148 Å²	148	54%	0.538	75%	0.752	S	S	.	*			trans	-130.3	118.8	165.3	-64.7	-175.8	0	0	0	104.1	E254 S255 I259	E254-I257 HydrophobicContact CG-CD1 3.66Å; E254-I257 HydrophobicContact CG-CG1 4.49Å; S255-I257 PolarHBondContact O-N 3.46Å; I257-I259 PolarHBondContact O-N 3.13Å
258	N	23.5	Very low	26	Very low	134 Å²	134	148 Å²	148	72%	0.717	75%	0.751	S	S	*	*			trans	-52.7	128	169.1	-66.1	-51.5	0	0	0	107.9	K260	N258-K260 HydrophobicContact CB-CG 4.31Å; N258-K260 PolarHBondContact O-N 3.27Å
259	I	25	Very low	26	Very low	167 Å²	167	148.4 Å²	148.4	86%	0.856	75%	0.754	S	S	*	*			trans	-63.6	92.3	150.4	-62.2	-179.1	0	0	0	104.6	I257 R261	I257-I259 PolarHBondContact O-N 3.13Å; I259-R261 PolarHBondContact O-N 2.97Å
260	K	23.5	Very low	25.9	Very low	163 Å²	163	150 Å²	150	71%	0.709	76%	0.759	S	S	*	*			trans	-61.1	94.1	167.3	-78.7	-174.1	175.3	-178.1	0	106.3	N258 N262	N258-K260 HydrophobicContact CB-CG 4.31Å; N258-K260 PolarHBondContact O-N 3.27Å; K260-N262 HydrophobicContact CB-CB 4.43Å; K260-N262 PolarHBondContact O-N 2.78Å
261	R	25	Very low	25.8	Very low	235 Å²	235	150.5 Å²	150.5	89%	0.887	75%	0.751	S	S	*	*			trans	-58.4	83.8	135.4	-81.5	-175.7	170.2	-179.6	-3.1	106.3	I259	I259-R261 PolarHBondContact O-N 2.97Å
262	N	23.5	Very low	25.6	Very low	125 Å²	125	145 Å²	145	67%	0.668	73%	0.727	S	S	*	*			trans	-178.9	114.8	164.5	-89.6	-17.5	0	0	0	105.7	K260	K260-N262 HydrophobicContact CB-CB 4.43Å; K260-N262 PolarHBondContact O-N 2.78Å
263	S	25.5	Very low	25.5	Very low	80 Å²	80	144.3 Å²	144.3	56%	0.559	72%	0.719	S	S	*	*			trans	22.7	138.9	147.2	45.8	0	0	0	0	119.6
264	Y	28.7	Very low	25.6	Very low	199 Å²	199	136.9 Å²	136.9	78%	0.78	69%	0.69	S	S	*	*			cis	-155.7	137.3	47.3	-78.1	-87.7	0	0	0	113.7
265	D	25.6	Very low	25.7	Very low	136 Å²	136	136.1 Å²	136.1	73%	0.727	69%	0.685	S	S	*	*			trans	46.5	175.4	133.5	-56.4	-25.5	0	0	0	124.2
266	V	25.4	Very low	25.7	Very low	141 Å²	141	138.8 Å²	138.8	86%	0.855	69%	0.692	S	S	*	*			trans	81.2	126.6	173.4	-171.1	0	0	0	0	113.7
267	P	24.9	Very low	25.6	Very low	106 Å²	106	135.1 Å²	135.1	69%	0.688	68%	0.678	S	S	*	*				-132.1	-178.4	-114.5	43.9	-30.8	0	0	0	116.4
268	S	23.7	Very low	25.6	Very low	88 Å²	88	141.3 Å²	141.3	62%	0.615	70%	0.697	S	S	*	*			trans	17.7	120.6	150.5	59.5	0	0	0	0	118.8
269	D	25.4	Very low	25.7	Very low	141 Å²	141	139.9 Å²	139.9	75%	0.754	70%	0.695	S	S	*	*				-177.5	169.8	83.8	-113.5	-31.7	0	0	0	116.3
270	F	27	Very low	25.7	Very low	185 Å²	185	140.2 Å²	140.2	81%	0.811	69%	0.69	S	S	*	*			trans	68	127.2	169	-77.5	-74.3	0	0	0	120.9
271	Y	25.3	Very low	25.8	Very low	156 Å²	156	139.3 Å²	139.3	61%	0.612	69%	0.689	S	S	*	*			trans	-141.8	157.4	-167.7	-122.2	-129.3	0	0	0	111.1	L1411	Y271-L1411 WeakPolarHBondContact CD1-O 3.41Å; Y271-L1411 VanDerWaalsContact CE1-N 3.29Å
272	S	25.8	Very low	25.9	Very low	54 Å²	54	133.7 Å²	133.7	38%	0.378	67%	0.668	S	S	.	*			trans	68.3	142.1	157.4	80.4	0	0	0	0	118	L1411 S1412	S272-L1411 VanDerWaalsContact CA-O 3.27Å; S272-L1411 WeakPolarHBondContact CA-O 3.2Å; S272-L1411 WeakPolarHBondContact CB-O 3.41Å; S272-L1411 PolarHBondContact N-O 2.85Å; S272-L1411 VanDerWaalsContact N-O 3.16Å; S272-S1412 PolarHBondContact N-OG 2.97Å
273	E	28.7	Very low	25.9	Very low	160 Å²	160	133.4 Å²	133.4	75%	0.748	66%	0.659	S	S	*	*				-138.5	131.7	69.8	-81.4	-158.4	121	0	0	116.2
274	T	28.7	Very low	26	Very low	45 Å²	45	135.8 Å²	135.8	28%	0.276	66%	0.664	S	S	.	*			trans	-1.6	154.8	141.7	78.1	0	0	0	0	120.8
275	K	26.3	Very low	25.8	Very low	146 Å²	146	131.4 Å²	131.4	64%	0.635	66%	0.66	S	S	*	*				-179.5	149.2	55.5	-128.9	152.6	-163.6	151.6	0	114.5
276	L	25.5	Very low	25.9	Very low	139 Å²	139	130.6 Å²	130.6	73%	0.728	67%	0.665	S	S	*	*			trans	75.9	132.8	145	-76.1	156.6	0	0	0	124.3
277	N	25.6	Very low	25.9	Very low	132 Å²	132	132.4 Å²	132.4	71%	0.706	66%	0.662	S	S	*	*			trans	80.5	103	143.9	-67.1	-9.4	0	0	0	122.2
278	Y	24.5	Very low	25.9	Very low	235 Å²	235	133.1 Å²	133.1	92%	0.922	67%	0.668	S	S	*	*			trans	-132.8	148.6	138.8	-84.7	-83.2	0	0	0	110.4
279	P	26.3	Very low	26	Very low	104 Å²	104	137.7 Å²	137.7	68%	0.675	68%	0.68	S	S	*	*			trans	-89.6	-176.5	-179.9	37.9	-36.2	0	0	0	113.2
280	K	24.8	Very low	26	Very low	174 Å²	174	136 Å²	136	76%	0.757	68%	0.678	S	S	*	*			trans	-69.3	172	-178.6	-60.3	-178.6	176.1	-175.9	0	114.1
281	E	25.5	Very low	26	Very low	145 Å²	145	134 Å²	134	68%	0.678	68%	0.682	S	S	*	*			trans	75.7	109.3	160.7	-67.3	145.9	-126.2	0	0	117.5
282	Y	26.8	Very low	26.2	Very low	117 Å²	117	132.4 Å²	132.4	46%	0.459	69%	0.693	S	S	.	*				-162.2	115.6	109.2	-88.2	-60.5	0	0	0	111.6	Y545 K546 I547	Y282-Y545 WeakPolarHBondContact OH-CA 3.36Å; Y282-Y545 WeakPolarHBondContact OH-CD1 3.29Å; Y282-Y545 PolarHBondContact OH-O 3.31Å; Y282-K546 PolarHBondContact OH-N 3Å; Y282-I547 HydrophobicContact CD1-CD1 3.74Å; Y282-I547 HydrophobicContact CD1-CG1 3.42Å; Y282-I547 VanDerWaalsContact CD1-CG1 3.42Å; Y282-I547 HydrophobicContact CD2-CG1 4.03Å; Y282-I547 HydrophobicContact CE1-CD1 4.39Å; Y282-I547 HydrophobicContact CE1-CG1 3.63Å; Y282-I547 HydrophobicContact CE2-CG1 4.22Å; Y282-I547 HydrophobicContact CG-CD1 3.94Å; Y282-I547 HydrophobicContact CG-CG1 3.65Å
283	Y	24.7	Very low	26	Very low	119 Å²	119	139 Å²	139	47%	0.467	72%	0.716	S	S	.	*			trans	-142.6	105.7	172.1	-114.3	-95	0	0	0	106.9	D919	Y283-D919 VanDerWaalsContact CE1-OD2 3.24Å; Y283-D919 WeakPolarHBondContact CE1-OD2 3.22Å; Y283-D919 VanDerWaalsContact CZ-OD2 3.3Å; Y283-D919 PolarHBondContact OH-OD2 3.37Å
284	L	26.4	Very low	25.8	Very low	129 Å²	129	136.9 Å²	136.9	68%	0.675	71%	0.713	S	S	*	*			trans	-179.4	118	163.5	-111	160.5	0	0	0	112.6
285	P	25.2	Very low	25.7	Very low	108 Å²	108	141.5 Å²	141.5	70%	0.701	74%	0.736	S	S	*	*			trans	-80.7	136.1	160.7	-11.7	29.1	0	0	0	111.8
286	S	27.5	Very low	25.7	Very low	119 Å²	119	140 Å²	140	83%	0.832	74%	0.739	S	S	*	*			trans	40.5	83.1	152.6	57	0	0	0	0	119.5
287	F	25.6	Very low	25.7	Very low	179 Å²	179	140.2 Å²	140.2	79%	0.785	74%	0.74	S	S	*	*			trans	-80.2	154.7	147.1	-114.8	-95.2	0	0	0	110.5
288	C	25.2	Very low	25.9	Very low	120 Å²	120	141.5 Å²	141.5	81%	0.811	74%	0.742	S	S	*	*				160.7	118.2	118.2	-89.3	0	0	0	0	114.6
289	Q	26.2	Very low	26	Very low	185 Å²	185	137 Å²	137	86%	0.864	73%	0.734	S	S	*	*			trans	-153.2	138.5	130.4	-114.7	175	2.1	0	0	109.5
290	S	23.7	Very low	26.2	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	74%	0.738	S	S	*	*			trans	13.2	131.9	168.3	55.2	0	0	0	0	119.5
291	T	28.2	Very low	26.3	Very low	145 Å²	145	135 Å²	135	89%	0.89	74%	0.741	S	S	*	*				-148.7	-166.3	64.1	34.1	0	0	0	0	114.7
292	S	29	Very low	26.4	Very low	121 Å²	121	134.1 Å²	134.1	85%	0.846	75%	0.75	S	S	*	*			trans	-85.1	164.4	-156.3	46.4	0	0	0	0	117.5
293	F	21.3	Very low	26.3	Very low	194 Å²	194	135.1 Å²	135.1	85%	0.851	77%	0.768	S	S	*	*			trans	-93.2	179.7	-176.4	-165.4	-104.1	0	0	0	112.7
294	V	24.9	Very low	26.5	Very low	114 Å²	114	136 Å²	136	69%	0.691	79%	0.786	S	S	*	*			trans	84.4	108.9	178.4	-172.5	0	0	0	0	112.7
295	D	26.9	Very low	26.4	Very low	142 Å²	142	137.3 Å²	137.3	76%	0.759	79%	0.792	S	S	*	*				-157.6	156.8	74.9	-118.4	-31.3	0	0	0	117.4
296	V	26.7	Very low	26.6	Very low	114 Å²	114	137.6 Å²	137.6	69%	0.691	79%	0.794	S	S	*	*			trans	22.1	123.2	149.9	168.7	0	0	0	0	120.8
297	L	24.1	Very low	26.5	Very low	144 Å²	144	140 Å²	140	75%	0.754	79%	0.792	S	S	*	*				80.9	139.1	58.4	-90	165.5	0	0	0	117
298	H	29.9	Very low	26.7	Very low	160 Å²	160	139.2 Å²	139.2	74%	0.741	80%	0.796	S	S	*	*			trans	70.2	147.6	-177.7	-63.9	-80.8	0	0	0	116.5
299	N	27.3	Very low	26.8	Very low	141 Å²	141	140.6 Å²	140.6	75%	0.754	79%	0.793	S	S	*	*			cis	-147.2	164	-2.6	-129.1	10.1	0	0	0	111.3
300	P	30.3	Very low	27.1	Very low	118 Å²	118	134.7 Å²	134.7	77%	0.766	77%	0.771	S	S	*	*			trans	-105.7	154.5	-168.5	38.9	-34.1	0	0	0	116.2
301	S	26.8	Very low	27.5	Very low	116 Å²	116	141 Å²	141	81%	0.811	78%	0.779	S	S	*	*			trans	-159.2	169.6	165	60.4	0	0	0	0	113.1
302	C	28.3	Very low	27.8	Very low	128 Å²	128	139 Å²	139	87%	0.865	76%	0.758	S	S	*	*			trans	66.2	75.5	171.2	-66.2	0	0	0	0	118.8
303	T	23.6	Very low	27.8	Very low	138 Å²	138	137.6 Å²	137.6	85%	0.847	74%	0.737	S	S	*	*			trans	-90.3	127.3	161.2	50.8	0	0	0	0	112.7
304	T	29.3	Very low	28.3	Very low	137 Å²	137	135 Å²	135	84%	0.84	73%	0.732	S	S	*	*			trans	-147.3	131	159.6	41.2	0	0	0	0	111.8
305	I	23.7	Very low	28.6	Very low	157 Å²	157	133.6 Å²	133.6	81%	0.805	73%	0.733	S	S	*	*			trans	-138	110.4	171.9	-58.8	175	0	0	0	109.8
306	P	29.8	Very low	28.6	Very low	114 Å²	114	131.8 Å²	131.8	74%	0.74	73%	0.73	S	S	*	*			trans	-103.1	119.5	153.6	32.4	-22.2	0	0	0	108.7
307	Q	25.5	Very low	28.7	Very low	170 Å²	170	132.4 Å²	132.4	79%	0.794	73%	0.728	S	S	*	*				53.9	81.8	61	-58.5	-161.1	22.4	0	0	114.5
308	N	29.4	Very low	29	Very low	161 Å²	161	133.9 Å²	133.9	86%	0.861	73%	0.731	S	S	*	*			trans	-158.1	137	134	-109.7	-39.2	0	0	0	111.6
309	I	28.5	Very low	28.9	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	74%	0.738	S	S	*	*			trans	-129.7	103.2	-177.9	-61.9	176.6	0	0	0	108.8
310	P	32.1	Very low	29	Very low	62 Å²	62	137.9 Å²	137.9	40%	0.403	74%	0.74	S	S	.	*			trans	-68.5	135.4	-177.3	-25	36.7	0	0	0	114.5	K312	P310-K312 VanDerWaalsContact C-N 3.26Å; P310-K312 PolarHBondContact O-N 3.28Å
311	R	33	Very low	29	Very low	235 Å²	235	141.9 Å²	141.9	89%	0.887	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-70.3	9.2	-163.3	-69.1	173.9	173	164.2	-4	117.4	F313 N314	R311-F313 PolarHBondContact O-N 2.94Å; R311-F313 VanDerWaalsContact O-N 3.12Å; R311-N314 PolarHBondContact O-N 3.3Å
312	K	32.9	Very low	29.2	Very low	104 Å²	104	139.8 Å²	139.8	45%	0.452	73%	0.731	S	S	.	*	G	3₁₀ helix	trans	-67	-6.2	170.4	-76.9	-165.7	174.6	-165.2	0	113.4	P310 N314 N1405 H1406 N1407 R1408	P310-K312 VanDerWaalsContact C-N 3.26Å; P310-K312 PolarHBondContact O-N 3.28Å; K312-N314 VanDerWaalsContact C-N 3.29Å; K312-N314 PolarHBondContact O-N 2.8Å; K312-N1405 WeakPolarHBondContact CE-O 3.32Å; K312-N1405 PolarHBondContact NZ-O 3.24Å; K312-H1406 HydrophobicContact CD-CB 4.06Å; K312-H1406 WeakPolarHBondContact CD-O 3.42Å; K312-N1407 HydrophobicContact CB-CB 4.05Å; K312-R1408 PolarHBondContact O-NH1 3.09Å
313	F	28.9	Very low	29.3	Very low	92 Å²	92	141.7 Å²	141.7	40%	0.404	73%	0.731	S	S	.	*	G	3₁₀ helix	trans	-79	8.4	175	-151.4	-94.8	0	0	0	115.4	R311 R1408 Y1409	R311-F313 PolarHBondContact O-N 2.94Å; R311-F313 VanDerWaalsContact O-N 3.12Å; F313-R1408 VanDerWaalsContact C-CZ 3.4Å; F313-R1408 VanDerWaalsContact CA-CZ 3.49Å; F313-R1408 HydrophobicContact CD2-CG 4.3Å; F313-R1408 HydrophobicContact CE2-CG 4.36Å; F313-R1408 PolarHBondContact O-NH1 3.23Å; F313-R1408 VanDerWaalsContact O-NH1 3.15Å; F313-R1408 PolarHBondContact O-NH2 2.89Å; F313-Y1409 HydrophobicContact CE2-CE1 4.23Å; F313-Y1409 HydrophobicContact CZ-CE1 4.3Å; F313-Y1409 VanDerWaalsContact CZ-OH 3.3Å; F313-Y1409 WeakPolarHBondContact CZ-OH 3.37Å
314	N	31.8	Very low	29.5	Very low	138 Å²	138	142 Å²	142	74%	0.738	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-137.2	10	178.5	-103.2	0.9	0	0	0	116.4	R311 K312	R311-N314 PolarHBondContact O-N 3.3Å; K312-N314 VanDerWaalsContact C-N 3.29Å; K312-N314 PolarHBondContact O-N 2.8Å
315	A	31.5	Very low	29.8	Very low	86 Å²	86	140.8 Å²	140.8	71%	0.711	72%	0.724	S	S	*	*	S	Bend	trans	-102.2	-1.7	-173	0	0	0	0	0	116
316	C	28.2	Very low	30.2	Very low	104 Å²	104	140.3 Å²	140.3	70%	0.703	72%	0.722	S	S	*	*	S	Bend	trans	-111.8	33.9	-173.2	-149.2	0	0	0	0	113.1
317	I	28	Very low	30.2	Very low	127 Å²	127	140.3 Å²	140.3	65%	0.651	72%	0.722	S	S	*	*	S	Bend	trans	-127.7	-3	-176.2	-74	177.4	0	0	0	111.9
318	Q	29.6	Very low	30.5	Very low	175 Å²	175	141.4 Å²	141.4	82%	0.818	73%	0.728	S	S	*	*	S	Bend	trans	-142.4	65.8	-178.4	-69.6	-171	-44.7	0	0	112.8
319	R	27.6	Very low	30.5	Very low	235 Å²	235	140.7 Å²	140.7	89%	0.887	72%	0.722	S	S	*	*			trans	167.6	132	162.9	-94.1	147.8	-172.5	165.3	2.3	106.8
320	N	30.9	Very low	30.5	Very low	149 Å²	149	143.4 Å²	143.4	80%	0.797	73%	0.728	S	S	*	*			cis	-120.8	160.6	3.6	-67.5	-38.7	0	0	0	111.5
321	F	29.5	Very low	30.5	Very low	202 Å²	202	145 Å²	145	89%	0.886	74%	0.741	S	S	*	*			trans	-129.7	172.3	169.9	-134.4	-92.5	0	0	0	108.5
322	S	31.2	Very low	30.4	Very low	72 Å²	72	141.3 Å²	141.3	50%	0.503	73%	0.734	S	S	.	*			trans	59.6	94.9	170.2	65.5	0	0	0	0	118.4
323	I	30.7	Very low	30.4	Very low	168 Å²	168	144.7 Å²	144.7	86%	0.862	76%	0.756	S	S	*	*				-120.8	151.1	121.1	-69.4	-174.5	0	0	0	107.8
324	L	28.6	Very low	30.4	Very low	144 Å²	144	150.6 Å²	150.6	75%	0.754	78%	0.775	S	S	*	*			trans	-71.1	170.7	-176.3	-84.3	64	0	0	0	112.3
325	S	33.8	Very low	30.4	Very low	112 Å²	112	153.1 Å²	153.1	78%	0.783	78%	0.78	S	S	*	*			cis	-152.9	164.3	11.3	29.5	0	0	0	0	113.2
326	L	32.2	Very low	30.2	Very low	148 Å²	148	159 Å²	159	78%	0.775	79%	0.79	S	S	*	*			trans	-56.2	164.3	158.9	-102.8	68.7	0	0	0	112.2
327	P	30.4	Very low	30.2	Very low	113 Å²	113	158.9 Å²	158.9	73%	0.734	79%	0.79	S	S	*	*			cis	-141.7	147.8	30.2	38.7	-19.7	0	0	0	118.6
328	Q	31.8	Very low	30.4	Very low	194 Å²	194	163.5 Å²	163.5	91%	0.907	80%	0.799	S	S	*	*			trans	-178.3	61.4	132.5	-101.1	177.5	24	0	0	113.6
329	I	30.1	Very low	30.2	Very low	145 Å²	145	166.4 Å²	166.4	74%	0.744	80%	0.803	S	S	*	*			trans	-119.8	89.2	165.2	-58.6	178.7	0	0	0	109
330	K	28.5	Very low	30.3	Very low	206 Å²	206	165 Å²	165	90%	0.896	80%	0.803	S	S	*	*			trans	-174.9	56	169	-111.6	163.7	-174	176.9	0	115.3
331	S	31.2	Very low	30.1	Very low	97 Å²	97	163 Å²	163	68%	0.678	80%	0.801	S	S	*	*	S	Bend	trans	-134.2	-44.8	170.4	65.6	0	0	0	0	116.5
332	Q	30.7	Very low	30	Very low	157 Å²	157	159.9 Å²	159.9	73%	0.734	80%	0.798	S	S	*	*	S	Bend	trans	-108.9	-0.5	-171.1	-64.2	-60.4	-13.4	0	0	117.3	R334	Q332-R334 PolarHBondContact O-N 3.01Å; Q332-R334 VanDerWaalsContact O-N 3.14Å
333	L	34.1	Very low	29.9	Very low	174 Å²	174	161.9 Å²	161.9	91%	0.911	81%	0.807	S	S	*	*	S	Bend	trans	-84.7	41.1	165.6	-89	167.8	0	0	0	112.5
334	R	28.6	Very low	29.8	Very low	216 Å²	216	163 Å²	163	82%	0.815	81%	0.806	S	S	*	*			trans	-147.3	64.2	175.4	-75.5	-168.4	177	179.4	-1.5	112.5	Q332	Q332-R334 PolarHBondContact O-N 3.01Å; Q332-R334 VanDerWaalsContact O-N 3.14Å
335	K	30.9	Very low	29.8	Very low	192 Å²	192	162.3 Å²	162.3	84%	0.835	81%	0.808	S	S	*	*			trans	-154.7	57.4	158.4	-113.1	158.1	-171.5	178.6	0	113.2
336	F	28.3	Very low	29.5	Very low	209 Å²	209	161.1 Å²	161.1	92%	0.917	80%	0.8	S	S	*	*			trans	-61.1	141.1	149.7	-118.9	-96.1	0	0	0	109.3
337	S	28.1	Very low	29.4	Very low	101 Å²	101	162.2 Å²	162.2	71%	0.706	80%	0.801	S	S	*	*			trans	78.8	148.5	159.2	-153.2	0	0	0	0	120.3
338	R	30.6	Very low	29.3	Very low	224 Å²	224	164.9 Å²	164.9	85%	0.845	80%	0.803	S	S	*	*			trans	75.9	113.1	171.9	-54.1	-178.5	-177.6	-170.9	-0.8	115.1
339	R	27.2	Very low	29.2	Very low	237 Å²	237	161 Å²	161	89%	0.894	79%	0.793	S	S	*	*				65.7	123.8	71.5	-72.1	-179	172.9	-178.1	-2.6	110.8
340	K	28.6	Very low	29	Very low	204 Å²	204	160.6 Å²	160.6	89%	0.887	79%	0.793	S	S	*	*				-171	176.4	54.5	-132.2	178.1	-178.5	-168.3	0	111.7
341	S	26.2	Very low	28.9	Very low	108 Å²	108	155.7 Å²	155.7	76%	0.755	78%	0.784	S	S	*	*			trans	-102.5	157.9	178.8	48.9	0	0	0	0	114.3
342	V	29.1	Very low	28.6	Very low	137 Å²	137	160.2 Å²	160.2	83%	0.83	79%	0.792	S	S	*	*			trans	-153.3	133.3	171.2	166.4	0	0	0	0	107.1
343	T	28.8	Very low	28.5	Very low	113 Å²	113	156.3 Å²	156.3	69%	0.693	79%	0.793	S	S	*	*			cis	-162.1	167.9	-15.6	29.1	0	0	0	0	108.7
344	K	28.6	Very low	28.2	Very low	192 Å²	192	154.6 Å²	154.6	84%	0.835	78%	0.783	S	S	*	*			trans	77.2	132.1	171.9	-52.7	-174.6	-178.4	-176.7	0	114.3
345	T	28.9	Very low	28.2	Very low	130 Å²	130	151.5 Å²	151.5	80%	0.798	78%	0.778	S	S	*	*			cis	-140.2	179.1	2.8	-10.1	0	0	0	0	111.7
346	S	27.4	Very low	28.1	Very low	87 Å²	87	149.5 Å²	149.5	61%	0.608	77%	0.772	S	S	*	*			trans	-53.7	170.6	175.9	-5.2	0	0	0	0	115.4
347	E	29.6	Very low	28	Very low	170 Å²	170	147.4 Å²	147.4	79%	0.794	76%	0.762	S	S	*	*			cis	-150.4	170.6	9.6	-134	125.8	-122.1	0	0	112.4
348	E	27	Very low	28	Very low	169 Å²	169	148.3 Å²	148.3	79%	0.79	76%	0.764	S	S	*	*			trans	-37.6	159.7	151.8	-77.9	169.4	-166.4	0	0	114.9
349	T	30.3	Very low	27.8	Very low	113 Å²	113	144 Å²	144	69%	0.693	76%	0.757	S	S	*	*			cis	-158.9	165.4	26.3	-2	0	0	0	0	113.6
350	N	26.3	Very low	27.9	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	75%	0.754	S	S	*	*			trans	17.8	115.5	141.5	-68.9	-29	0	0	0	122.3
351	S	26.2	Very low	27.9	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	75%	0.748	S	S	*	*				87.5	156.6	116.4	84.9	0	0	0	0	122
352	K	26	Very low	28.1	Very low	193 Å²	193	134.9 Å²	134.9	84%	0.839	75%	0.747	S	S	*	*			trans	56.5	88.1	152.1	-70	173.9	178.7	178.2	0	118.7
353	G	28	Very low	28	Very low	74 Å²	74	132.1 Å²	132.1	76%	0.763	74%	0.739	S	S	*	*				94.2	-170.3	130	0	0	0	0	0	116.7
354	I	27.2	Very low	27.9	Very low	138 Å²	138	135.4 Å²	135.4	71%	0.708	75%	0.746	S	S	*	*			cis	-158.3	153.9	-7.7	-122	161.7	0	0	0	107.5
355	H	27.9	Very low	27.7	Very low	152 Å²	152	130.6 Å²	130.6	70%	0.704	74%	0.737	S	S	*	*			trans	62.9	152	-176.1	-63.8	-59.3	0	0	0	114.9
356	E	28.7	Very low	27.6	Very low	150 Å²	150	129.4 Å²	129.4	70%	0.701	73%	0.731	S	S	*	*			cis	-139.6	144.6	-10.1	-118	162.4	143.9	0	0	108.9
357	F	26.6	Very low	27.4	Very low	164 Å²	164	131.3 Å²	131.3	72%	0.719	74%	0.739	S	S	*	*				50	136.7	104.5	-71.6	-124.9	0	0	0	115.1
358	T	29.6	Very low	27.2	Very low	121 Å²	121	128.2 Å²	128.2	74%	0.742	73%	0.727	S	S	*	*			cis	-138.6	153.1	19.4	-36.4	0	0	0	0	113.4
359	L	25.6	Very low	27	Very low	134 Å²	134	125.1 Å²	125.1	70%	0.702	72%	0.724	S	S	*	*			trans	-44.4	151.8	158.2	-59.9	67.8	0	0	0	110.6
360	T	28.9	Very low	26.8	Very low	135 Å²	135	129.3 Å²	129.3	83%	0.828	73%	0.728	S	S	*	*				-163.2	128.3	76.1	37.9	0	0	0	0	114.6
361	S	29	Very low	26.7	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	73%	0.727	S	S	*	*			trans	-78.7	175.5	137.9	62	0	0	0	0	108.9
362	P	31.4	Very low	26.6	Very low	113 Å²	113	132.3 Å²	132.3	73%	0.734	73%	0.731	S	S	*	*			cis	-138.7	-150.5	12.6	41.8	-20.1	0	0	0	113.1
363	A	25.3	Very low	26.5	Very low	80 Å²	80	130.6 Å²	130.6	66%	0.661	73%	0.73	S	S	*	*			trans	69	164	160.1	0	0	0	0	0	116.2
364	E	27	Very low	26.3	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	73%	0.734	S	S	*	*			cis	-147.4	172.3	-8.4	-143.5	152.3	-124.7	0	0	111.1
365	S	24.6	Very low	26.2	Very low	91 Å²	91	136.2 Å²	136.2	64%	0.636	74%	0.74	S	S	*	*			trans	-85.3	148.9	173.3	62.9	0	0	0	0	112
366	P	26.9	Very low	26.1	Very low	105 Å²	105	134.7 Å²	134.7	68%	0.682	74%	0.742	S	S	*	*				-136.4	153.1	95.4	37.2	-26.1	0	0	0	111.8	I368	P366-I368 HydrophobicContact CB-CG1 4.31Å; P366-I368 HydrophobicContact CG-CG1 4.42Å
367	V	24.5	Very low	25.9	Very low	128 Å²	128	132.3 Å²	132.3	78%	0.776	74%	0.742	S	S	*	*			cis	58.9	59.9	36.6	-163.7	0	0	0	0	113
368	I	24.7	Very low	25.8	Very low	105 Å²	105	136.3 Å²	136.3	54%	0.538	75%	0.752	S	S	.	*			trans	-125.1	106.5	151.8	-45.4	179	0	0	0	110.7	P366 Y370	P366-I368 HydrophobicContact CB-CG1 4.31Å; P366-I368 HydrophobicContact CG-CG1 4.42Å; I368-Y370 HydrophobicContact CB-CD2 4.14Å; I368-Y370 HydrophobicContact CB-CE2 4.01Å; I368-Y370 HydrophobicContact CD1-CE2 4.02Å; I368-Y370 HydrophobicContact CG2-CD1 4.27Å; I368-Y370 HydrophobicContact CG2-CD2 3.53Å; I368-Y370 HydrophobicContact CG2-CE1 4.14Å; I368-Y370 HydrophobicContact CG2-CE2 3.39Å; I368-Y370 HydrophobicContact CG2-CG 3.97Å; I368-Y370 PolarHBondContact O-N 3.44Å
369	S	22.2	Very low	25.6	Very low	103 Å²	103	136.9 Å²	136.9	72%	0.72	75%	0.75	S	S	*	*			trans	-76.5	91.6	162.5	51.7	0	0	0	0	109.5	V371	S369-V371 VanDerWaalsContact C-N 3.26Å; S369-V371 PolarHBondContact O-N 3.33Å
370	Y	26.3	Very low	25.8	Very low	202 Å²	202	140.8 Å²	140.8	79%	0.792	76%	0.757	S	S	*	*			trans	-73.1	83.2	174	-89.7	-63.8	0	0	0	112.1	I368 K372	I368-Y370 HydrophobicContact CB-CD2 4.14Å; I368-Y370 HydrophobicContact CB-CE2 4.01Å; I368-Y370 HydrophobicContact CD1-CE2 4.02Å; I368-Y370 HydrophobicContact CG2-CD1 4.27Å; I368-Y370 HydrophobicContact CG2-CD2 3.53Å; I368-Y370 HydrophobicContact CG2-CE1 4.14Å; I368-Y370 HydrophobicContact CG2-CE2 3.39Å; I368-Y370 HydrophobicContact CG2-CG 3.97Å; I368-Y370 PolarHBondContact O-N 3.44Å; Y370-K372 PolarHBondContact O-N 3Å
371	V	23.6	Very low	25.6	Very low	115 Å²	115	138.6 Å²	138.6	70%	0.697	75%	0.748	S	S	*	*			trans	-68.8	118.4	160.3	171.1	0	0	0	0	108.5	S369	S369-V371 VanDerWaalsContact C-N 3.26Å; S369-V371 PolarHBondContact O-N 3.33Å
372	K	26	Very low	25.6	Very low	187 Å²	187	139.6 Å²	139.6	81%	0.813	75%	0.752	S	S	*	*			trans	27	107.7	140.7	178.1	-162.3	-178.4	-177	0	117	Y370	Y370-K372 PolarHBondContact O-N 3Å
373	L	23.2	Very low	25.4	Very low	157 Å²	157	140.8 Å²	140.8	82%	0.822	76%	0.757	S	S	*	*			trans	-177.3	121.6	144.3	-92.1	156.9	0	0	0	106.6
374	K	24.4	Very low	25.4	Very low	193 Å²	193	146.3 Å²	146.3	84%	0.839	77%	0.766	S	S	*	*				73.7	97.4	78.9	-87.9	-156.4	179.1	-176	0	116
375	T	24.6	Very low	25.5	Very low	137 Å²	137	143.8 Å²	143.8	84%	0.84	76%	0.763	S	S	*	*			trans	-168.5	132.4	150.6	30.2	0	0	0	0	106.6
376	T	24.8	Very low	25.6	Very low	119 Å²	119	145.1 Å²	145.1	73%	0.73	76%	0.763	S	S	*	*			cis	-149.8	147.5	-3	32.9	0	0	0	0	109.6
377	S	24.3	Very low	25.6	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	76%	0.763	S	S	*	*			trans	40.3	132.1	158.4	61.7	0	0	0	0	120.4
378	R	26.1	Very low	25.7	Very low	248 Å²	248	147.7 Å²	147.7	94%	0.936	76%	0.758	S	S	*	*			cis	-124.7	173.4	31.6	-73.3	-179.8	170.5	169.9	-3.3	113.9
379	N	25.1	Very low	25.8	Very low	132 Å²	132	149.9 Å²	149.9	71%	0.706	77%	0.77	S	S	*	*			trans	-94.1	173.2	-160.8	-57.8	-28.7	0	0	0	114
380	Y	28.3	Very low	26.1	Very low	216 Å²	216	151.3 Å²	151.3	85%	0.847	77%	0.774	S	S	*	*			trans	70.4	148.2	164.8	-60.8	-73.4	0	0	0	118
381	S	26.4	Very low	26.1	Very low	89 Å²	89	145.4 Å²	145.4	62%	0.622	77%	0.767	S	S	*	*			cis	-170.2	138	-39.2	41.8	0	0	0	0	108.6
382	P	27.9	Very low	26.3	Very low	129 Å²	129	147 Å²	147	84%	0.838	77%	0.772	S	S	*	*			trans	-94.8	120.6	-173.8	34.4	-32	0	0	0	113.8
383	T	28	Very low	26.5	Very low	139 Å²	139	145.3 Å²	145.3	85%	0.853	77%	0.766	S	S	*	*			trans	-149.2	155.6	162.3	19.4	0	0	0	0	113
384	K	25.1	Very low	26.6	Very low	195 Å²	195	143.2 Å²	143.2	85%	0.848	76%	0.756	S	S	*	*			trans	-59.3	136.8	176.4	-50.5	160.3	-179.8	174.2	0	112
385	T	28.7	Very low	27	Very low	128 Å²	128	141.9 Å²	141.9	79%	0.785	76%	0.758	S	S	*	*				-171.8	121.3	110.4	30.7	0	0	0	0	106.6
386	D	26	Very low	27.2	Very low	119 Å²	119	144.1 Å²	144.1	64%	0.636	76%	0.757	S	S	*	*				71.8	110	74.6	-155.2	37.7	0	0	0	112.6
387	K	27.1	Very low	27.4	Very low	156 Å²	156	147.7 Å²	147.7	68%	0.678	76%	0.762	S	S	*	*			trans	79.2	126.1	152	-74.3	163.7	-166.5	141.9	0	123.2
388	I	26.6	Very low	27.6	Very low	132 Å²	132	148 Å²	148	68%	0.677	76%	0.76	S	S	*	*				84.6	115.7	122.6	-70.5	173.3	0	0	0	119.6
389	I	26.3	Very low	27.5	Very low	151 Å²	151	144.2 Å²	144.2	77%	0.774	75%	0.752	S	S	*	*			trans	69.4	144.8	151.3	-67.7	172.8	0	0	0	115.1
390	T	28.6	Very low	27.5	Very low	133 Å²	133	145.7 Å²	145.7	82%	0.816	75%	0.753	S	S	*	*			cis	-136.9	167.9	14.6	-18.4	0	0	0	0	114
391	A	27.8	Very low	27.4	Very low	78 Å²	78	144.7 Å²	144.7	65%	0.645	75%	0.747	S	S	*	*			trans	-31.7	163	164.9	0	0	0	0	0	122.5
392	N	26.4	Very low	27.3	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	76%	0.755	S	S	*	*			trans	64.8	138.7	143.9	-83	17.9	0	0	0	118.8
393	E	30	Very low	27.1	Very low	151 Å²	151	152.4 Å²	152.4	71%	0.706	75%	0.753	S	S	*	*			cis	-149.9	159.2	27.8	-81.5	-152.4	134.8	0	0	115.9
394	N	26.9	Very low	27	Very low	114 Å²	114	154 Å²	154	61%	0.61	75%	0.749	S	S	*	*			trans	31.9	120.4	137.6	-54	-42.4	0	0	0	121.7
395	N	32.4	Very low	26.9	Very low	165 Å²	165	149.1 Å²	149.1	88%	0.882	73%	0.732	S	S	*	*				-159.5	162.1	110.9	-115.3	-59.3	0	0	0	114.9
396	K	28	Very low	26.9	Very low	184 Å²	184	153.1 Å²	153.1	80%	0.8	73%	0.734	S	S	*	*			trans	-109.4	147.9	-161.1	-60.4	167.2	-178.8	169	0	114.1
397	K	29.5	Very low	26.8	Very low	193 Å²	193	153.9 Å²	153.9	84%	0.839	74%	0.737	S	S	*	*			trans	-166.3	106.5	138.2	-108.7	164.1	-174.7	178.1	0	113.2
398	T	27.4	Very low	26.8	Very low	108 Å²	108	151 Å²	151	66%	0.663	74%	0.735	S	S	*	*			trans	34.2	136.7	131.2	61.3	0	0	0	0	120.1
399	H	25.4	Very low	26.8	Very low	169 Å²	169	154.4 Å²	154.4	78%	0.782	74%	0.74	S	S	*	*			cis	-166.2	169.7	-10.8	-88.5	-56.3	0	0	0	104.6
400	F	24.5	Very low	26.7	Very low	162 Å²	162	150.6 Å²	150.6	71%	0.711	73%	0.727	S	S	*	*			cis	-161.4	149.2	25.7	-158.1	-157.4	0	0	0	109.2
401	W	27.2	Very low	26.5	Very low	195 Å²	195	150.6 Å²	150.6	74%	0.739	73%	0.728	S	S	*	*			trans	63.4	66.7	173.4	-62.4	114.2	0	0	0	119.4
402	E	22.8	Very low	26.3	Very low	166 Å²	166	154.1 Å²	154.1	78%	0.776	73%	0.734	S	S	*	*			trans	-77.1	148.9	144.4	-61.8	158.7	115.2	0	0	111.1
403	R	24.7	Very low	26.1	Very low	214 Å²	214	154.2 Å²	154.2	81%	0.808	73%	0.733	S	S	*	*			trans	166.7	101.2	151.2	-99.6	175.3	176.3	174.1	1.3	107
404	F	25.2	Very low	25.8	Very low	172 Å²	172	151 Å²	151	75%	0.754	73%	0.728	S	S	*	*			cis	61.4	154.3	24.3	-89.7	-74.5	0	0	0	114.8
405	D	23.5	Very low	25.6	Very low	94 Å²	94	152 Å²	152	50%	0.503	73%	0.733	S	S	.	*			trans	68.6	133.8	-171.3	-38	-39.7	0	0	0	114.1
406	Y	27.9	Very low	25.1	Very low	212 Å²	212	152.4 Å²	152.4	83%	0.831	73%	0.73	S	S	*	*			cis	-130.2	134.1	6.7	-73.5	-100.9	0	0	0	109.2
407	L	24.1	Very low	24.9	Very low	134 Å²	134	149 Å²	149	70%	0.702	73%	0.729	S	S	*	*				57.4	153	53.4	-70.5	173.5	0	0	0	113.3
408	P	27.5	Very low	24.6	Very low	96 Å²	96	146.5 Å²	146.5	62%	0.623	73%	0.725	S	S	*	*				-129.5	-171.3	-92.6	36.6	-16.4	0	0	0	112.4
409	Y	25.8	Very low	24.6	Very low	203 Å²	203	147.4 Å²	147.4	80%	0.796	73%	0.726	S	S	*	*			trans	-160.5	109.8	149.1	-97.3	-78.6	0	0	0	105.9
410	S	24.4	Very low	24.7	Very low	71 Å²	71	146 Å²	146	50%	0.497	72%	0.724	S	S	.	*				62.5	104.2	51	84.1	0	0	0	0	112.5
411	T	25.3	Very low	24.6	Very low	134 Å²	134	146.9 Å²	146.9	82%	0.822	73%	0.73	S	S	*	*				64.4	95.7	80.6	-51.8	0	0	0	0	111.6
412	I	23.5	Very low	24.6	Very low	152 Å²	152	143.2 Å²	143.2	78%	0.779	73%	0.731	S	S	*	*			trans	163.7	136.4	175.8	-94.1	151.2	0	0	0	104.1
413	L	23.1	Very low	24.6	Very low	149 Å²	149	144.5 Å²	144.5	78%	0.78	74%	0.735	S	S	*	*			cis	-146.8	-171.2	-11.8	-150	72.9	0	0	0	108.9
414	S	22.2	Very low	24.6	Very low	85 Å²	85	143.9 Å²	143.9	59%	0.594	74%	0.738	S	S	*	*			trans	-58.2	151.4	166.8	52.3	0	0	0	0	113.8
415	N	22.5	Very low	24.5	Very low	134 Å²	134	141.3 Å²	141.3	72%	0.717	73%	0.732	S	S	*	*				-167	135.7	108.3	-91.8	-8.9	0	0	0	114.4
416	Q	23.3	Very low	24.4	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	74%	0.74	S	S	*	*			trans	17.7	113	144.1	-61.1	167.6	-22.5	0	0	119.1
417	S	23.3	Very low	24.2	Very low	111 Å²	111	141.5 Å²	141.5	78%	0.776	74%	0.738	S	S	*	*				-176.1	149.4	105	34.8	0	0	0	0	112
418	N	23.6	Very low	24.2	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	73%	0.733	S	S	*	*			trans	22.8	133.7	145.4	-58	17.4	0	0	0	119.2
419	D	27	Very low	24	Very low	127 Å²	127	142 Å²	142	68%	0.679	74%	0.74	S	S	*	*			cis	-144.6	147.4	22.4	-94.2	-51	0	0	0	115.5
420	N	26.8	Very low	23.9	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	73%	0.732	S	S	*	*			trans	41.1	116.3	142.4	-57.2	-43.5	0	0	0	122.5
421	Q	23.5	Very low	23.8	Very low	181 Å²	181	139.8 Å²	139.8	85%	0.846	74%	0.743	S	S	*	*			trans	-21	159.8	131.4	-70.9	-167.1	33.5	0	0	116.9
422	P	27.1	Very low	23.8	Very low	117 Å²	117	140.8 Å²	140.8	76%	0.76	74%	0.739	S	S	*	*			cis	-141.7	177.4	30.7	40.1	-20.6	0	0	0	118.3
423	K	22	Very low	23.9	Very low	194 Å²	194	138.9 Å²	138.9	84%	0.843	73%	0.729	S	S	*	*			trans	-72.5	137.6	164.4	-55.4	166.9	-177.3	171.2	0	110.9
424	K	25.8	Very low	24.1	Very low	200 Å²	200	138.2 Å²	138.2	87%	0.87	73%	0.726	S	S	*	*			trans	-169	124.7	135.6	-97.8	154	-174.5	-178.7	0	105.9
425	D	22.1	Very low	24.2	Very low	118 Å²	118	139.2 Å²	139.2	63%	0.631	72%	0.724	S	S	*	*			cis	73.3	95.5	49.7	-149.9	16.4	0	0	0	112
426	K	22.1	Very low	24.3	Very low	157 Å²	157	139.5 Å²	139.5	68%	0.683	72%	0.721	S	S	*	*			trans	68.3	159.1	154.9	-62.4	164.9	-172.8	109.5	0	119.9
427	I	23	Very low	24.3	Very low	153 Å²	153	139.1 Å²	139.1	79%	0.785	72%	0.719	S	S	*	*			trans	68.7	141.4	145.9	-79.4	157.2	0	0	0	116.3
428	V	23.5	Very low	24.3	Very low	99 Å²	99	138.6 Å²	138.6	60%	0.6	72%	0.715	S	S	*	*			cis	-172.3	163.6	-26	86.3	0	0	0	0	105.9
429	N	23.2	Very low	24.4	Very low	142 Å²	142	139 Å²	139	76%	0.759	72%	0.718	S	S	*	*			trans	58.4	-175.9	168.3	-68.4	-1.4	0	0	0	117.2
430	S	24.1	Very low	24.3	Very low	92 Å²	92	140.5 Å²	140.5	64%	0.643	73%	0.725	S	S	*	*			trans	63.3	95.8	157.7	36.2	0	0	0	0	115.9
431	D	23.5	Very low	24.3	Very low	135 Å²	135	138.3 Å²	138.3	72%	0.722	72%	0.718	S	S	*	*				78.6	108.4	75.2	-71.1	-46.4	0	0	0	110.2
432	Q	25.3	Very low	24.4	Very low	156 Å²	156	136.3 Å²	136.3	73%	0.729	71%	0.713	S	S	*	*				89.8	157.8	81.9	-142.9	-171.9	53.3	0	0	109.7
433	I	25.7	Very low	24.4	Very low	112 Å²	112	135.9 Å²	135.9	57%	0.574	71%	0.709	S	S	*	*			trans	58.6	95.7	163.8	-58.9	164.9	0	0	0	113.4	L435	I433-L435 HydrophobicContact CG2-CD1 4.37Å; I433-L435 HydrophobicContact CG2-CG 4.36Å
434	N	25.5	Very low	24.5	Very low	135 Å²	135	133.3 Å²	133.3	72%	0.722	70%	0.704	S	S	*	*				-141.2	127.6	68.1	-80.9	-58.2	0	0	0	112.1
435	L	25.5	Very low	24.8	Very low	105 Å²	105	133.4 Å²	133.4	55%	0.55	71%	0.708	S	S	.	*				69.1	138.2	75.5	-62.8	-173.9	0	0	0	112.1	I433	I433-L435 HydrophobicContact CG2-CD1 4.37Å; I433-L435 HydrophobicContact CG2-CG 4.36Å
436	Q	25.2	Very low	24.9	Very low	141 Å²	141	134.8 Å²	134.8	66%	0.659	71%	0.714	S	S	*	*			cis	-144.2	134.7	2.2	-119.6	133.3	-9.5	0	0	108
437	Q	22.5	Very low	25	Very low	166 Å²	166	133.9 Å²	133.9	78%	0.776	72%	0.716	S	S	*	*				48.9	92.2	83.7	-61.2	178.5	-44.4	0	0	115.1
438	S	23.3	Very low	25.1	Very low	99 Å²	99	132.7 Å²	132.7	69%	0.692	71%	0.712	S	S	*	*			trans	-159.7	109.4	144	49.1	0	0	0	0	111.5
439	N	25	Very low	25.5	Very low	150 Å²	150	133.5 Å²	133.5	80%	0.802	72%	0.719	S	S	*	*			trans	62.1	132.9	133	-48.5	-21.6	0	0	0	119.5
440	L	24.9	Very low	25.4	Very low	159 Å²	159	132.4 Å²	132.4	83%	0.832	71%	0.712	S	S	*	*				55.2	145.8	61.5	-104	75.1	0	0	0	113.6
441	P	28.3	Very low	25.4	Very low	93 Å²	93	136.6 Å²	136.6	60%	0.604	72%	0.719	S	S	*	*			cis	-134.9	-164.7	-1.3	39.2	-19.5	0	0	0	113.4
442	N	24.8	Very low	25.6	Very low	139 Å²	139	135.5 Å²	135.5	74%	0.743	72%	0.717	S	S	*	*			trans	71.7	145.2	152.9	-65.9	-8.9	0	0	0	118.1
443	T	26	Very low	25.7	Very low	109 Å²	109	134.7 Å²	134.7	67%	0.669	71%	0.713	S	S	*	*			cis	-148.4	157.3	-2	-5.1	0	0	0	0	111.6
444	N	25.6	Very low	25.6	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	71%	0.714	S	S	*	*			trans	-8.4	139	142.9	-44.3	-18.2	0	0	0	114.2
445	Q	32.1	Very low	25.5	Very low	203 Å²	203	136.3 Å²	136.3	95%	0.949	72%	0.715	S	S	*	*				-127.7	143.1	79.1	-88.4	156.4	-4.3	0	0	114.8
446	L	23.3	Very low	25.5	Very low	146 Å²	146	137.2 Å²	137.2	76%	0.764	72%	0.72	S	S	*	*			trans	-109.4	160.4	-178.4	-162.5	84.1	0	0	0	108.6
447	L	25.2	Very low	25.6	Very low	138 Å²	138	137 Å²	137	72%	0.723	72%	0.722	S	S	*	*			trans	71.9	111.9	157.8	-115.9	51.6	0	0	0	117.5
448	D	25.5	Very low	25.8	Very low	129 Å²	129	135 Å²	135	69%	0.69	72%	0.717	S	S	*	*				37.4	137.7	112.1	-81.5	-43.2	0	0	0	119.3
449	P	30.2	Very low	25.9	Very low	115 Å²	115	135.8 Å²	135.8	75%	0.747	72%	0.717	S	S	*	*				-146.3	137	70.2	37.6	-19	0	0	0	119.3
450	L	22.8	Very low	25.9	Very low	119 Å²	119	137.1 Å²	137.1	62%	0.623	72%	0.719	S	S	*	*				48.5	125.8	121	-56.9	171	0	0	0	121.5
451	K	24.3	Very low	26	Very low	180 Å²	180	134 Å²	134	78%	0.783	71%	0.71	S	S	*	*			trans	66.2	170	146.6	-57.3	164.5	-176.8	174.3	0	114.4
452	T	26.5	Very low	26.1	Very low	113 Å²	113	136.2 Å²	136.2	69%	0.693	72%	0.717	S	S	*	*			cis	-150.1	165.6	-2	-8.2	0	0	0	0	105.6
453	E	27.6	Very low	26.2	Very low	138 Å²	138	139.2 Å²	139.2	65%	0.645	72%	0.724	S	S	*	*			cis	-105	-145.9	5.7	-99.9	-72.2	72.2	0	0	110.1
454	L	24.1	Very low	26.3	Very low	113 Å²	113	139.2 Å²	139.2	59%	0.592	73%	0.725	S	S	*	*			cis	66.5	132.2	19.3	-86.7	71.5	0	0	0	114.2
455	K	23.6	Very low	26.5	Very low	169 Å²	169	138.5 Å²	138.5	74%	0.735	72%	0.722	S	S	*	*				60	119.5	75	-69.7	-172	-177.5	173.4	0	114.4
456	N	25.1	Very low	26.4	Very low	124 Å²	124	137.4 Å²	137.4	66%	0.663	71%	0.714	S	S	*	*				160	170	110.3	-87.3	-32.4	0	0	0	112.9
457	I	27.1	Very low	26.7	Very low	136 Å²	136	136.9 Å²	136.9	70%	0.697	72%	0.717	S	S	*	*			trans	55.1	117.4	138.2	-74.8	165	0	0	0	116.7
458	N	27	Very low	26.8	Very low	123 Å²	123	136.3 Å²	136.3	66%	0.658	72%	0.719	S	S	*	*			cis	-144.4	153.9	10.2	-82.3	-27.7	0	0	0	108.9
459	T	24.2	Very low	26.7	Very low	116 Å²	116	139.4 Å²	139.4	71%	0.712	73%	0.726	S	S	*	*			cis	68	81.9	36.2	72.7	0	0	0	0	116.7
460	Q	26.5	Very low	26.5	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	73%	0.727	S	S	*	*			trans	-163.4	115.8	145.6	-107.8	151.9	8.5	0	0	108.3
461	S	25.7	Very low	26.8	Very low	93 Å²	93	143.7 Å²	143.7	65%	0.65	74%	0.742	S	S	*	*				76.4	126.3	95.9	74.7	0	0	0	0	112.8
462	N	31.5	Very low	27	Very low	140 Å²	140	138.6 Å²	138.6	75%	0.749	73%	0.729	S	S	*	*			cis	-134.1	144	14.2	-78.3	-62.6	0	0	0	110.3
463	K	26.2	Very low	26.9	Very low	201 Å²	201	141.2 Å²	141.2	87%	0.874	73%	0.731	S	S	*	*				66.6	143.7	72.7	-92	-161.9	173.3	179.3	0	114.4
464	P	28.1	Very low	27	Very low	109 Å²	109	141.3 Å²	141.3	71%	0.708	73%	0.734	S	S	*	*			trans	-136	175.1	-130.2	41.6	-24.5	0	0	0	116.3
465	N	29.8	Very low	27.1	Very low	125 Å²	125	138.7 Å²	138.7	67%	0.668	73%	0.725	S	S	*	*			trans	-137.3	127.7	154.1	-84.3	-61.2	0	0	0	108.5
466	K	30.1	Very low	27.3	Very low	179 Å²	179	137.4 Å²	137.4	78%	0.778	72%	0.722	S	S	*	*				54	117.6	100	-55.7	173	-165.9	144.6	0	112.1
467	T	30.2	Very low	27.3	Very low	136 Å²	136	141.9 Å²	141.9	83%	0.834	73%	0.729	S	S	*	*			cis	-130.6	153.6	24.1	48	0	0	0	0	113.6
468	T	26	Very low	27.3	Very low	125 Å²	125	142.2 Å²	142.2	77%	0.767	73%	0.732	S	S	*	*			trans	-161.7	145	171.9	-25.9	0	0	0	0	110.2
469	K	25.1	Very low	27.2	Very low	194 Å²	194	141.5 Å²	141.5	84%	0.843	74%	0.736	S	S	*	*			trans	68.3	120	171.6	-48.4	166.1	-174.9	171.5	0	116.3
470	C	25.5	Very low	27.2	Very low	112 Å²	112	141.6 Å²	141.6	76%	0.757	73%	0.733	S	S	*	*			trans	-168	115.8	133.9	-109.3	0	0	0	0	110.3
471	F	28.7	Very low	27.2	Very low	212 Å²	212	140.5 Å²	140.5	93%	0.93	73%	0.727	S	S	*	*			trans	136.3	64.4	174.8	-83	-59.3	0	0	0	109
472	S	27.7	Very low	27.1	Very low	73 Å²	73	144.4 Å²	144.4	51%	0.51	74%	0.735	S	S	.	*			cis	72.2	118.6	22.8	85.7	0	0	0	0	116.7
473	F	25.9	Very low	26.7	Very low	169 Å²	169	142.1 Å²	142.1	74%	0.741	73%	0.73	S	S	*	*			trans	64.4	128.9	175.7	-69.1	-117.2	0	0	0	112.5	S475	F473-S475 WeakPolarHBondContact CD1-OG 3.47Å; F473-S475 WeakPolarHBondContact CE1-OG 3.36Å
474	I	29.2	Very low	26.7	Very low	140 Å²	140	143.2 Å²	143.2	72%	0.718	73%	0.73	S	S	*	*			cis	-111.2	113.9	36.6	-76.7	169.5	0	0	0	109.1
475	S	26.4	Very low	26.4	Very low	57 Å²	57	142.8 Å²	142.8	40%	0.399	73%	0.73	S	S	.	*				48.8	120.1	58.3	-81.1	0	0	0	0	111.7	F473	F473-S475 WeakPolarHBondContact CD1-OG 3.47Å; F473-S475 WeakPolarHBondContact CE1-OG 3.36Å
476	Q	27.1	Very low	26.1	Very low	143 Å²	143	148.2 Å²	148.2	67%	0.668	74%	0.743	S	S	*	*			cis	175.3	165.7	46.3	-114.4	162.1	-0.1	0	0	106.7
477	R	25.1	Very low	26	Very low	217 Å²	217	142.7 Å²	142.7	82%	0.819	74%	0.737	S	S	*	*			trans	64.3	146.5	165.1	-65.4	165.1	174.8	138.9	-3.8	115.6
478	L	28.2	Very low	25.7	Very low	144 Å²	144	144.3 Å²	144.3	75%	0.754	74%	0.74	S	S	*	*			cis	-111.6	113.9	-4.4	-69	83.7	0	0	0	109.5	D480	L478-D480 HydrophobicContact CD2-CB 4.33Å
479	S	24.2	Very low	25.9	Very low	107 Å²	107	145.8 Å²	145.8	75%	0.748	74%	0.742	S	S	*	*				-68.2	120.6	123.4	50.5	0	0	0	0	106
480	D	24.2	Very low	25.9	Very low	118 Å²	118	140.4 Å²	140.4	63%	0.631	73%	0.729	S	S	*	*			trans	-174.1	152.2	153.8	-91.4	-27.6	0	0	0	109.9	L478	L478-D480 HydrophobicContact CD2-CB 4.33Å
481	H	25.9	Very low	26.1	Very low	157 Å²	157	143.9 Å²	143.9	73%	0.727	73%	0.731	S	S	*	*			trans	0.7	137.4	143.6	-51.6	-74.7	0	0	0	116.8
482	Q	25.4	Very low	25.9	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.813	72%	0.724	S	S	*	*			cis	-161.1	165.8	44.2	-124.8	134.4	24.7	0	0	114.5
483	S	21.9	Very low	25.8	Very low	93 Å²	93	146.4 Å²	146.4	65%	0.65	73%	0.733	S	S	*	*			trans	-57.3	121.9	174.5	48.9	0	0	0	0	116.7
484	Y	25.7	Very low	25.9	Very low	223 Å²	223	147.5 Å²	147.5	88%	0.875	73%	0.733	S	S	*	*			trans	-148.6	117.3	140.6	-81.1	-78.9	0	0	0	106.1
485	S	21.6	Very low	25.8	Very low	100 Å²	100	148.3 Å²	148.3	70%	0.699	73%	0.734	S	S	*	*			cis	69.6	67.5	25.7	-151.7	0	0	0	0	115.2
486	Y	24.5	Very low	26.1	Very low	239 Å²	239	151.7 Å²	151.7	94%	0.937	75%	0.754	S	S	*	*			trans	-156.9	127.7	133	-100.4	-79.6	0	0	0	106.5
487	G	27.1	Very low	26.3	Very low	63 Å²	63	149.6 Å²	149.6	65%	0.649	75%	0.748	S	S	*	*			cis	169.9	154.4	-3.3	0	0	0	0	0	109.2	I489	G487-I489 PolarHBondContact O-N 2.93Å
488	N	23.7	Very low	26.7	Very low	170 Å²	170	144.8 Å²	144.8	91%	0.909	75%	0.745	S	S	*	*			trans	-72.2	89.5	-178	-86.9	-26.7	0	0	0	112.9
489	I	30.2	Very low	27	Very low	157 Å²	157	144.8 Å²	144.8	81%	0.805	74%	0.739	S	S	*	*			trans	-137.9	78.6	155.2	-49.3	179.7	0	0	0	106.6	G487	G487-I489 PolarHBondContact O-N 2.93Å
490	S	26.7	Very low	27.6	Very low	80 Å²	80	149.6 Å²	149.6	56%	0.559	75%	0.746	S	S	*	*				64.2	134.3	75.1	104.9	0	0	0	0	114.2
491	K	28.1	Very low	28.1	Very low	185 Å²	185	154.8 Å²	154.8	80%	0.804	76%	0.758	S	S	*	*			trans	73.7	100.5	160.5	-60.5	168.5	-176.1	173.2	0	118.5
492	K	25.6	Very low	29	Very low	181 Å²	181	149.2 Å²	149.2	79%	0.787	74%	0.737	S	S	*	*				70.9	134.4	121.1	-77.4	-177.6	168.8	-174.9	0	121.4
493	F	24.6	Very low	29.6	Very low	158 Å²	158	150.7 Å²	150.7	69%	0.693	74%	0.737	S	S	*	*			trans	83.9	150.5	138.1	-89.1	-57.8	0	0	0	122.6
494	Y	28.1	Very low	30.5	Very low	192 Å²	192	156 Å²	156	75%	0.753	75%	0.748	S	S	*	*			trans	78.3	163.3	160.7	-68.6	-63.1	0	0	0	122.2
495	E	27.5	Very low	31.3	Very low	157 Å²	157	154.4 Å²	154.4	73%	0.734	74%	0.741	S	S	*	*			trans	-75.3	166.9	-151	-75.5	151.5	97.7	0	0	116.7	D497	E495-D497 PolarHBondContact O-N 3.47Å
496	P	32.1	Very low	32.4	Very low	127 Å²	127	156.9 Å²	156.9	83%	0.825	73%	0.734	S	S	*	*			trans	-72	82.3	179.4	30.5	-37.2	0	0	0	113.5
497	D	32.2	Very low	33.3	Very low	100 Å²	100	153.8 Å²	153.8	54%	0.535	73%	0.726	S	S	.	*			trans	-55.3	125.1	177.9	-175.4	48.6	0	0	0	112.8	E495 K499	E495-D497 PolarHBondContact O-N 3.47Å; D497-K499 PolarHBondContact O-N 3.45Å; D497-K499 IonicContact OD1-NZ 3.78Å; D497-K499 PolarHBondContact OD1-NZ 2.84Å; D497-K499 WeakPolarHBondContact OD2-CD 3.47Å; D497-K499 WeakPolarHBondContact OD2-CG 3.39Å; D497-K499 IonicContact OD2-NZ 4Å; D497-K499 PolarHBondContact OD2-NZ 3.4Å
498	P	32.6	Very low	34.1	Very low	116 Å²	116	154.1 Å²	154.1	75%	0.753	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	38.2	-159.8	31.1	-39	0	0	0	115.9
499	K	35.1	Very low	35.4	Very low	144 Å²	144	149.9 Å²	149.9	63%	0.626	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	-8.4	-167	-58.2	-168.6	-173.7	82	0	116.5	D497	D497-K499 PolarHBondContact O-N 3.45Å; D497-K499 IonicContact OD1-NZ 3.78Å; D497-K499 PolarHBondContact OD1-NZ 2.84Å; D497-K499 WeakPolarHBondContact OD2-CD 3.47Å; D497-K499 WeakPolarHBondContact OD2-CG 3.39Å; D497-K499 IonicContact OD2-NZ 4Å; D497-K499 PolarHBondContact OD2-NZ 3.4Å
500	K	37.3	Very low	36.4	Very low	207 Å²	207	145.5 Å²	145.5	90%	0.9	68%	0.682	S	S	*	*			trans	-88.7	-3.1	-177.2	-85.7	179.5	177.3	172.1	0	116.9	S502	K500-S502 PolarHBondContact O-N 2.96Å
501	Y	33.7	Very low	37.5	Very low	228 Å²	228	148.4 Å²	148.4	89%	0.894	69%	0.69	S	S	*	*			trans	-70.7	29.2	178.5	-99.7	-86.1	0	0	0	115.6
502	S	45	Very low	38.7	Very low	40 Å²	40	146.1 Å²	146.1	28%	0.28	69%	0.685	S	S	.	*			trans	-112.4	6.3	-162.6	84.3	0	0	0	0	118.2	K500 R506	K500-S502 PolarHBondContact O-N 2.96Å; S502-R506 VanDerWaalsContact O-CD 3.26Å; S502-R506 WeakPolarHBondContact O-CD 3.35Å; S502-R506 WeakPolarHBondContact O-CG 3.38Å; S502-R506 PolarHBondContact O-NE 3.28Å; S502-R506 PolarHBondContact OG-NE 3.15Å; S502-R506 PolarHBondContact OG-NH2 3.36Å
503	Y	38.3	Very low	39.8	Very low	204 Å²	204	142.1 Å²	142.1	80%	0.8	67%	0.669	S	S	*	*	S	Bend	trans	-82.4	-57.3	-179.3	-134.7	-102.7	0	0	0	114.1	R505 R506	Y503-R505 VanDerWaalsContact C-N 3.28Å; Y503-R505 PolarHBondContact O-N 2.94Å; Y503-R506 PolarHBondContact O-N 3.13Å
504	K	41.9	Very low	41.3	Very low	205 Å²	205	137.6 Å²	137.6	89%	0.891	67%	0.667	S	S	*	*	H	α-helix	trans	-64.2	-30.5	176.4	-81.7	-174.1	174.6	179.9	0	113.1	R506 K507	K504-R506 VanDerWaalsContact C-N 3.27Å; K504-R506 PolarHBondContact O-N 3.49Å; K504-K507 PolarHBondContact O-N 2.9Å
505	R	41.9	Very low	42.4	Very low	190 Å²	190	136.7 Å²	136.7	72%	0.717	68%	0.675	S	S	*	*	H	α-helix	trans	-71.3	-15	177.3	-151.9	174.7	-170.9	178.6	3.3	113.8	Y503 S508 L509	Y503-R505 VanDerWaalsContact C-N 3.28Å; Y503-R505 PolarHBondContact O-N 2.94Å; R505-S508 PolarHBondContact O-OG 3.5Å; R505-L509 WeakPolarHBondContact O-CD1 2.92Å; R505-L509 WeakPolarHBondContact O-CG 3.2Å
506	R	44.7	Very low	43	Very low	151 Å²	151	132 Å²	132	57%	0.57	67%	0.668	S	S	*	*	H	α-helix	trans	-76.4	-26.6	176.2	-82.3	169.7	-158.3	-149.3	3.7	113.8	S502 Y503 K504 L509 A510	S502-R506 VanDerWaalsContact O-CD 3.26Å; S502-R506 WeakPolarHBondContact O-CD 3.35Å; S502-R506 WeakPolarHBondContact O-CG 3.38Å; S502-R506 PolarHBondContact O-NE 3.28Å; S502-R506 PolarHBondContact OG-NE 3.15Å; S502-R506 PolarHBondContact OG-NH2 3.36Å; Y503-R506 PolarHBondContact O-N 3.13Å; K504-R506 VanDerWaalsContact C-N 3.27Å; K504-R506 PolarHBondContact O-N 3.49Å; R506-L509 PolarHBondContact O-N 3.2Å; R506-A510 WeakPolarHBondContact O-CB 3.42Å; R506-A510 PolarHBondContact O-N 2.9Å
507	K	43	Very low	43.5	Very low	175 Å²	175	135 Å²	135	76%	0.761	67%	0.668	S	S	*	*	H	α-helix	trans	-72.1	-35.3	-177.4	-128.2	-178.3	-176.7	-174.6	0	113	K504	K504-K507 PolarHBondContact O-N 2.9Å
508	S	45	Very low	44.1	Very low	69 Å²	69	141.8 Å²	141.8	48%	0.483	69%	0.686	S	S	.	*	H	α-helix	trans	-73.8	-36.5	171	49.4	0	0	0	0	112.6	R505 I512	R505-S508 PolarHBondContact O-OG 3.5Å; S508-I512 WeakPolarHBondContact O-CG1 3.46Å; S508-I512 PolarHBondContact O-N 3.39Å
509	L	49.1	Very low	44.4	Very low	82 Å²	82	139.1 Å²	139.1	43%	0.429	68%	0.68	S	S	.	*	H	α-helix	trans	-64.2	-38.7	172.7	-75.2	169	0	0	0	112.4	R505 R506 I511 I512 H513	R505-L509 WeakPolarHBondContact O-CD1 2.92Å; R505-L509 WeakPolarHBondContact O-CG 3.2Å; R506-L509 PolarHBondContact O-N 3.2Å; L509-I511 PolarHBondContact O-N 3.03Å; L509-I512 PolarHBondContact O-N 3.3Å; L509-H513 VanDerWaalsContact O-CB 3.32Å; L509-H513 WeakPolarHBondContact O-CB 3.14Å; L509-H513 PolarHBondContact O-CD2 2.86Å; L509-H513 PolarHBondContact O-N 2.77Å
510	A	53	Low	44.6	Very low	64 Å²	64	144.8 Å²	144.8	53%	0.529	70%	0.697	S	S	.	*	H	α-helix	trans	-61.3	-43.7	-179	0	0	0	0	0	113	R506 I512 G514	R506-A510 WeakPolarHBondContact O-CB 3.42Å; R506-A510 PolarHBondContact O-N 2.9Å; A510-I512 VanDerWaalsContact C-N 3.33Å; A510-I512 PolarHBondContact O-N 3.13Å; A510-G514 PolarHBondContact O-N 3.48Å; A510-G514 VanDerWaalsContact O-N 3.17Å
511	I	49.7	Very low	44.9	Very low	142 Å²	142	144.6 Å²	144.6	73%	0.728	70%	0.697	S	S	*	*	H	α-helix	trans	-71.5	-29.3	-179.2	-62.3	173.2	0	0	0	111.4	L509	L509-I511 PolarHBondContact O-N 3.03Å
512	I	53.2	Low	45.6	Very low	136 Å²	136	139.2 Å²	139.2	70%	0.697	68%	0.682	S	S	*	*	H	α-helix	trans	-90.6	-30.5	-178.3	-63	174	0	0	0	112.5	S508 L509 A510	S508-I512 WeakPolarHBondContact O-CG1 3.46Å; S508-I512 PolarHBondContact O-N 3.39Å; L509-I512 PolarHBondContact O-N 3.3Å; A510-I512 VanDerWaalsContact C-N 3.33Å; A510-I512 PolarHBondContact O-N 3.13Å
513	H	49	Very low	45.4	Very low	97 Å²	97	149.1 Å²	149.1	45%	0.449	71%	0.713	S	S	.	*	H	α-helix	trans	-82.9	-13.2	173.8	-85	-88.9	0	0	0	114.2	L509 L515 G516 F517	L509-H513 VanDerWaalsContact O-CB 3.32Å; L509-H513 WeakPolarHBondContact O-CB 3.14Å; L509-H513 PolarHBondContact O-CD2 2.86Å; L509-H513 PolarHBondContact O-N 2.77Å; H513-L515 PolarHBondContact O-N 2.92Å; H513-G516 PolarHBondContact O-N 2.91Å; H513-F517 AromaticContact ND1-CE2 3.54Å
514	G	54.5	Low	45.8	Very low	64 Å²	64	149.1 Å²	149.1	66%	0.66	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-8.4	-177.7	0	0	0	0	0	116	A510	A510-G514 PolarHBondContact O-N 3.48Å; A510-G514 VanDerWaalsContact O-N 3.17Å
515	L	51	Low	46.3	Very low	173 Å²	173	142.6 Å²	142.6	91%	0.906	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	16	-177.4	-68	170.3	0	0	0	113.9	H513	H513-L515 PolarHBondContact O-N 2.92Å
516	G	40.6	Very low	46.5	Very low	57 Å²	57	138.5 Å²	138.5	59%	0.588	69%	0.69	S	S	*	*			trans	-148.5	17.8	-163.3	0	0	0	0	0	119.6	H513	H513-G516 PolarHBondContact O-N 2.91Å
517	F	43.8	Very low	46.9	Very low	191 Å²	191	134.7 Å²	134.7	84%	0.838	69%	0.686	S	S	*	*			trans	-103.4	50.9	-179.3	-104.4	-71.7	0	0	0	115.1	H513	H513-F517 AromaticContact ND1-CE2 3.54Å
518	R	44	Very low	47.6	Very low	243 Å²	243	129.9 Å²	129.9	92%	0.917	68%	0.675	S	S	*	*	S	Bend	trans	-134.8	117.2	163.2	-162.7	172.1	-175.4	171.9	0.6	109.5
519	G	39.2	Very low	48.6	Very low	60 Å²	60	133.1 Å²	133.1	62%	0.619	68%	0.68	S	S	*	*			trans	99.8	99.7	178.4	0	0	0	0	0	115.3	K521	G519-K521 PolarHBondContact O-N 3.2Å
520	R	38.8	Very low	49.1	Very low	262 Å²	262	133.9 Å²	133.9	99%	0.989	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	18.1	-173.6	-140.2	172.8	-170.4	163.6	0.3	115.4
521	K	44.7	Very low	49.7	Very low	204 Å²	204	135.1 Å²	135.1	89%	0.887	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-17.8	-170.5	-72.3	-173	174.2	-177.8	0	116	G519 R523	G519-K521 PolarHBondContact O-N 3.2Å; K521-R523 PolarHBondContact O-N 3.27Å; K521-R523 VanDerWaalsContact O-N 3.13Å
522	I	47.4	Very low	50.6	Low	114 Å²	114	134.5 Å²	134.5	59%	0.585	68%	0.676	S	S	*	*			trans	-93.2	50.6	-165.7	-40	-179.8	0	0	0	113.4
523	R	40.6	Very low	51.2	Low	248 Å²	248	134.5 Å²	134.5	94%	0.936	67%	0.673	S	S	*	*	S	Bend	trans	-89.5	-17.7	-175.8	-115.7	-178.3	-178.3	-177.2	-0.5	116.4	K521	K521-R523 PolarHBondContact O-N 3.27Å; K521-R523 VanDerWaalsContact O-N 3.13Å
524	K	46.1	Very low	52.1	Low	205 Å²	205	134.5 Å²	134.5	89%	0.891	68%	0.675	S	S	*	*	S	Bend	trans	-95.3	-28.2	179.7	-72.7	-172.9	175.4	-177.5	0	114.8
525	S	52.3	Low	52.6	Low	68 Å²	68	139 Å²	139	48%	0.476	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	-36.3	-171.3	-174.3	0	0	0	0	114.8	S527 S528	S525-S527 VanDerWaalsContact C-N 3.3Å; S525-S527 PolarHBondContact O-N 2.95Å; S525-S528 PolarHBondContact O-OG 3.49Å; S525-S528 VanDerWaalsContact O-OG 3.08Å
526	N	46.1	Very low	53.2	Low	103 Å²	103	136.4 Å²	136.4	55%	0.551	66%	0.664	S	S	*	*	H	α-helix	trans	-76	-12.4	-169.6	-71.1	-12.1	0	0	0	114.9	L530	N526-L530 PolarHBondContact O-N 3.35Å
527	S	53.5	Low	54.1	Low	71 Å²	71	139.9 Å²	139.9	50%	0.497	66%	0.663	S	S	.	*	H	α-helix	trans	-67.9	-34.9	179.5	180	0	0	0	0	113	S525 N531	S525-S527 VanDerWaalsContact C-N 3.3Å; S525-S527 PolarHBondContact O-N 2.95Å; S527-N531 PolarHBondContact O-N 3.22Å; S527-N531 VanDerWaalsContact O-N 3.12Å
528	S	58.7	Low	54.8	Low	74 Å²	74	134.6 Å²	134.6	52%	0.517	65%	0.65	S	S	.	*	H	α-helix	trans	-70.3	-44.7	-179.6	56.8	0	0	0	0	112.2	S525 L530 N531 Q532	S525-S528 PolarHBondContact O-OG 3.49Å; S525-S528 VanDerWaalsContact O-OG 3.08Å; S528-L530 VanDerWaalsContact C-N 3.34Å; S528-L530 PolarHBondContact O-N 3.27Å; S528-N531 PolarHBondContact O-N 2.69Å; S528-Q532 PolarHBondContact O-N 2.88Å
529	K	66	Low	55.6	Low	137 Å²	137	129.1 Å²	129.1	60%	0.596	64%	0.643	S	S	*	*	H	α-helix	trans	-60.7	-41.4	176.3	-71.3	-174.1	175.8	-178.6	0	112.1	Q532 Q533	K529-Q532 PolarHBondContact O-N 2.76Å; K529-Q533 PolarHBondContact O-N 3.1Å
530	L	59.7	Low	56.4	Low	98 Å²	98	135 Å²	135	51%	0.513	65%	0.651	S	S	.	*	H	α-helix	trans	-62.7	-45.6	175.6	-172.7	67.6	0	0	0	111.4	N526 S528 Q532 Q533 I534	N526-L530 PolarHBondContact O-N 3.35Å; S528-L530 VanDerWaalsContact C-N 3.34Å; S528-L530 PolarHBondContact O-N 3.27Å; L530-Q532 VanDerWaalsContact C-N 3.32Å; L530-Q532 PolarHBondContact O-N 3.42Å; L530-Q533 PolarHBondContact O-N 3.44Å; L530-I534 HydrophobicContact CD1-CD1 4.47Å; L530-I534 HydrophobicContact CG-CD1 3.96Å; L530-I534 WeakPolarHBondContact O-CG1 3.44Å; L530-I534 PolarHBondContact O-N 3.12Å
531	N	65.6	Low	57	Low	90 Å²	90	126.4 Å²	126.4	48%	0.481	63%	0.625	S	S	.	*	H	α-helix	trans	-64.8	-32.9	177.4	-72.9	-10.5	0	0	0	113	S527 S528 K535	S527-N531 PolarHBondContact O-N 3.22Å; S527-N531 VanDerWaalsContact O-N 3.12Å; S528-N531 PolarHBondContact O-N 2.69Å; N531-K535 PolarHBondContact O-N 3.36Å
532	Q	68.7	Low	57.3	Low	130 Å²	130	121.7 Å²	121.7	61%	0.607	61%	0.613	S	S	*	*	H	α-helix	trans	-66.4	-44.7	171.1	-97.9	-179.8	-26.6	0	0	112.3	S528 K529 L530 I534 K535 N536	S528-Q532 PolarHBondContact O-N 2.88Å; K529-Q532 PolarHBondContact O-N 2.76Å; L530-Q532 VanDerWaalsContact C-N 3.32Å; L530-Q532 PolarHBondContact O-N 3.42Å; Q532-I534 PolarHBondContact O-N 3.43Å; Q532-K535 PolarHBondContact O-N 2.88Å; Q532-N536 PolarHBondContact O-N 3.03Å
533	Q	65.9	Low	57.4	Low	136 Å²	136	121.1 Å²	121.1	64%	0.636	62%	0.617	S	S	*	*	H	α-helix	trans	-62.8	-42	176.2	-74.3	-178.9	-25.4	0	0	111.7	K529 L530 N536 F537	K529-Q533 PolarHBondContact O-N 3.1Å; L530-Q533 PolarHBondContact O-N 3.44Å; Q533-N536 PolarHBondContact O-N 3.21Å; Q533-F537 WeakPolarHBondContact O-CB 3.43Å; Q533-F537 PolarHBondContact O-N 3.3Å
534	I	67.3	Low	57.7	Low	96 Å²	96	115.6 Å²	115.6	49%	0.492	60%	0.602	S	S	.	*	H	α-helix	trans	-62.3	-45.4	175.6	-68.6	167.1	0	0	0	111.2	L530 Q532 N536 F537 S538	L530-I534 HydrophobicContact CD1-CD1 4.47Å; L530-I534 HydrophobicContact CG-CD1 3.96Å; L530-I534 WeakPolarHBondContact O-CG1 3.44Å; L530-I534 PolarHBondContact O-N 3.12Å; Q532-I534 PolarHBondContact O-N 3.43Å; I534-N536 PolarHBondContact O-N 2.88Å; I534-F537 PolarHBondContact O-N 2.95Å; I534-S538 WeakPolarHBondContact O-CB 3.26Å; I534-S538 PolarHBondContact O-N 2.96Å
535	K	64	Low	57.7	Low	160 Å²	160	113.5 Å²	113.5	70%	0.696	59%	0.589	S	S	*	*	H	α-helix	trans	-59.3	-45	174.9	-83.8	-169.5	171.5	-171.7	0	112.4	N531 Q532 F537 S538 V539	N531-K535 PolarHBondContact O-N 3.36Å; Q532-K535 PolarHBondContact O-N 2.88Å; K535-F537 VanDerWaalsContact C-N 3.33Å; K535-F537 PolarHBondContact O-N 3.04Å; K535-S538 PolarHBondContact O-N 2.59Å; K535-V539 WeakPolarHBondContact O-CG2 3.13Å; K535-V539 PolarHBondContact O-N 2.79Å
536	N	64.4	Low	57.3	Low	118 Å²	118	116.6 Å²	116.6	63%	0.631	59%	0.594	S	S	*	*	H	α-helix	trans	-65.1	-36.9	178.6	-72.9	-5	0	0	0	112.4	Q532 Q533 I534 K540	Q532-N536 PolarHBondContact O-N 3.03Å; Q533-N536 PolarHBondContact O-N 3.21Å; I534-N536 PolarHBondContact O-N 2.88Å; N536-K540 PolarHBondContact O-N 3.47Å
537	F	59.1	Low	57.5	Low	130 Å²	130	116.8 Å²	116.8	57%	0.57	59%	0.594	S	S	*	*	H	α-helix	trans	-66.9	-42.2	175.4	-145.5	-87.7	0	0	0	111.4	Q533 I534 K535 V539 K540 N541	Q533-F537 WeakPolarHBondContact O-CB 3.43Å; Q533-F537 PolarHBondContact O-N 3.3Å; I534-F537 PolarHBondContact O-N 2.95Å; K535-F537 VanDerWaalsContact C-N 3.33Å; K535-F537 PolarHBondContact O-N 3.04Å; F537-V539 PolarHBondContact O-N 3.48Å; F537-K540 PolarHBondContact O-N 3.2Å; F537-N541 HydrophobicContact CD1-CB 3.64Å; F537-N541 WeakPolarHBondContact CD2-ND2 3.42Å; F537-N541 HydrophobicContact CE1-CB 3.56Å; F537-N541 HydrophobicContact CE2-CB 4.48Å; F537-N541 WeakPolarHBondContact CE2-ND2 3.26Å; F537-N541 HydrophobicContact CG-CB 4.15Å; F537-N541 HydrophobicContact CZ-CB 4.01Å; F537-N541 WeakPolarHBondContact CZ-ND2 3.28Å; F537-N541 WeakPolarHBondContact O-CA 3.27Å; F537-N541 WeakPolarHBondContact O-CB 3.35Å; F537-N541 PolarHBondContact O-N 2.89Å
538	S	59.6	Low	56.9	Low	80 Å²	80	121.4 Å²	121.4	56%	0.559	61%	0.608	S	S	*	*	H	α-helix	trans	-67.1	-15.1	-179	-168.9	0	0	0	0	114.9	I534 K535	I534-S538 WeakPolarHBondContact O-CB 3.26Å; I534-S538 PolarHBondContact O-N 2.96Å; K535-S538 PolarHBondContact O-N 2.59Å
539	V	59.1	Low	56.6	Low	128 Å²	128	127.1 Å²	127.1	78%	0.776	62%	0.623	S	S	*	*	H	α-helix	trans	-104.1	-25.7	-179.9	177.1	0	0	0	0	112.5	K535 F537	K535-V539 WeakPolarHBondContact O-CG2 3.13Å; K535-V539 PolarHBondContact O-N 2.79Å; F537-V539 PolarHBondContact O-N 3.48Å
540	K	56.1	Low	56.1	Low	182 Å²	182	124.6 Å²	124.6	79%	0.791	62%	0.616	S	S	*	*	H	α-helix	trans	-104.8	-27.7	179.2	-72.1	-168.2	172.9	-171.8	0	115	N536 F537	N536-K540 PolarHBondContact O-N 3.47Å; F537-K540 PolarHBondContact O-N 3.2Å
541	N	52.8	Low	56	Low	83 Å²	83	125.8 Å²	125.8	44%	0.444	63%	0.628	S	S	.	*			trans	-124.8	37.5	-164.3	-61.8	-4.6	0	0	0	112.9	F537 P543	F537-N541 HydrophobicContact CD1-CB 3.64Å; F537-N541 WeakPolarHBondContact CD2-ND2 3.42Å; F537-N541 HydrophobicContact CE1-CB 3.56Å; F537-N541 HydrophobicContact CE2-CB 4.48Å; F537-N541 WeakPolarHBondContact CE2-ND2 3.26Å; F537-N541 HydrophobicContact CG-CB 4.15Å; F537-N541 HydrophobicContact CZ-CB 4.01Å; F537-N541 WeakPolarHBondContact CZ-ND2 3.28Å; F537-N541 WeakPolarHBondContact O-CA 3.27Å; F537-N541 WeakPolarHBondContact O-CB 3.35Å; F537-N541 PolarHBondContact O-N 2.89Å; N541-P543 VanDerWaalsContact O-CD 3.24Å; N541-P543 WeakPolarHBondContact O-CD 3.33Å
542	V	50.1	Low	55.6	Low	104 Å²	104	130.2 Å²	130.2	63%	0.63	64%	0.643	S	S	*	*			trans	-84.4	108.1	158.3	-178.4	0	0	0	0	106.5	E544	V542-E544 PolarHBondContact O-N 2.86Å
543	P	49.3	Very low	55.4	Low	103 Å²	103	127.5 Å²	127.5	67%	0.669	64%	0.638	S	S	*	*			trans	-70.4	97.2	173.9	29.5	-33	0	0	0	108	N541 Y545	N541-P543 VanDerWaalsContact O-CD 3.24Å; N541-P543 WeakPolarHBondContact O-CD 3.33Å; P543-Y545 PolarHBondContact O-N 3.18Å; P543-Y545 VanDerWaalsContact O-N 3.11Å
544	E	46.3	Very low	55.4	Low	131 Å²	131	128 Å²	128	61%	0.612	65%	0.645	S	S	*	*			trans	-59	117.7	172.8	-170	178.4	-157.4	0	0	108.3	V542 K546	V542-E544 PolarHBondContact O-N 2.86Å; E544-K546 HydrophobicContact CG-CD 4.15Å; E544-K546 HydrophobicContact CG-CG 4.22Å; E544-K546 PolarHBondContact O-N 3.42Å; E544-K546 VanDerWaalsContact OE1-CE 3.24Å; E544-K546 WeakPolarHBondContact OE1-CE 3.5Å; E544-K546 IonicContact OE1-NZ 3.47Å; E544-K546 PolarHBondContact OE1-NZ 2.91Å
545	Y	47.5	Very low	55.9	Low	162 Å²	162	130.6 Å²	130.6	64%	0.635	65%	0.653	S	S	*	*	S	Bend	trans	-74.2	69.4	178.6	-110	-105	0	0	0	109.7	Y282 P543	Y282-Y545 WeakPolarHBondContact OH-CA 3.36Å; Y282-Y545 WeakPolarHBondContact OH-CD1 3.29Å; Y282-Y545 PolarHBondContact OH-O 3.31Å; P543-Y545 PolarHBondContact O-N 3.18Å; P543-Y545 VanDerWaalsContact O-N 3.11Å
546	K	43.6	Very low	56.8	Low	132 Å²	132	124.2 Å²	124.2	57%	0.574	63%	0.627	S	S	*	*	S	Bend	trans	-127.9	141.4	164.9	-73.2	175.2	-177.3	156.9	0	107.3	Y282 E544 Q548	Y282-K546 PolarHBondContact OH-N 3Å; E544-K546 HydrophobicContact CG-CD 4.15Å; E544-K546 HydrophobicContact CG-CG 4.22Å; E544-K546 PolarHBondContact O-N 3.42Å; E544-K546 VanDerWaalsContact OE1-CE 3.24Å; E544-K546 WeakPolarHBondContact OE1-CE 3.5Å; E544-K546 IonicContact OE1-NZ 3.47Å; E544-K546 PolarHBondContact OE1-NZ 2.91Å; K546-Q548 PolarHBondContact O-N 3.08Å
547	I	51.1	Low	57.9	Low	107 Å²	107	121.2 Å²	121.2	55%	0.549	61%	0.611	S	S	.	*			trans	-53.4	113.3	170.1	-54	173.3	0	0	0	107.5	Y282 K549	Y282-I547 HydrophobicContact CD1-CD1 3.74Å; Y282-I547 HydrophobicContact CD1-CG1 3.42Å; Y282-I547 VanDerWaalsContact CD1-CG1 3.42Å; Y282-I547 HydrophobicContact CD2-CG1 4.03Å; Y282-I547 HydrophobicContact CE1-CD1 4.39Å; Y282-I547 HydrophobicContact CE1-CG1 3.63Å; Y282-I547 HydrophobicContact CE2-CG1 4.22Å; Y282-I547 HydrophobicContact CG-CD1 3.94Å; Y282-I547 HydrophobicContact CG-CG1 3.65Å; I547-K549 PolarHBondContact O-N 2.85Å
548	Q	40.8	Very low	59.1	Low	169 Å²	169	117.3 Å²	117.3	79%	0.79	60%	0.596	S	S	*	*			trans	-65.1	101.8	-177.1	-78.7	-173.2	-24.7	0	0	109.8	K546 L550	K546-Q548 PolarHBondContact O-N 3.08Å; Q548-L550 PolarHBondContact O-N 3.42Å
549	K	51.9	Low	60.2	Low	193 Å²	193	116.6 Å²	116.6	84%	0.839	58%	0.583	S	S	*	*			trans	-52.7	115	156.2	-73.1	-177.8	176.2	179.4	0	106.1	I547 T551	I547-K549 PolarHBondContact O-N 2.85Å; K549-T551 PolarHBondContact O-N 2.83Å
550	L	56	Low	61.3	Low	84 Å²	84	115.3 Å²	115.3	44%	0.44	57%	0.566	S	S	.	*			trans	-44	115.6	-177.7	-97.9	64.9	0	0	0	109.4	Q548 K552	Q548-L550 PolarHBondContact O-N 3.42Å; L550-K552 PolarHBondContact O-N 3Å
551	T	56.1	Low	62.6	Low	124 Å²	124	107.8 Å²	107.8	76%	0.761	54%	0.54	S	S	*	.			trans	-63.9	102	-179.9	48.6	0	0	0	0	107.8	K549 S553	K549-T551 PolarHBondContact O-N 2.83Å; T551-S553 PolarHBondContact O-N 2.88Å
552	K	57.2	Low	64.2	Low	183 Å²	183	109.8 Å²	109.8	80%	0.796	55%	0.55	S	S	*	.			trans	-58.1	113.1	-178.3	-67.3	-172	-179.7	-175.8	0	108.9	L550	L550-K552 PolarHBondContact O-N 3Å
553	S	64.6	Low	66	Low	73 Å²	73	110.2 Å²	110.2	51%	0.51	54%	0.543	S	S	.	.			trans	-67.7	130.5	159.4	179.7	0	0	0	0	107.3	T551 F555 V556	T551-S553 PolarHBondContact O-N 2.88Å; S553-F555 PolarHBondContact O-N 2.84Å; S553-V556 PolarHBondContact O-N 3.28Å
554	N	67.5	Low	67.7	Low	146 Å²	146	106.2 Å²	106.2	78%	0.781	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-8.3	-169.2	-69.9	-7.7	0	0	0	114.7
555	F	76.5	Confident	69.4	Low	151 Å²	151	103.5 Å²	103.5	66%	0.662	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	33.6	-178.9	-62.7	-79.4	0	0	0	113.1	S553 H618	S553-F555 PolarHBondContact O-N 2.84Å; F555-H618 PolarHBondContact O-CD2 2.95Å
556	V	84.1	Confident	71.3	Confident	26 Å²	26	101.4 Å²	101.4	16%	0.158	50%	0.503	C	S	.	.			trans	-125.3	122.4	174.1	178.2	0	0	0	0	110.2	S553 H618 T620 I635	S553-V556 PolarHBondContact O-N 3.28Å; V556-H618 WeakPolarHBondContact CA-O 3.33Å; V556-T620 HydrophobicContact CG1-CG2 3.48Å; V556-T620 VanDerWaalsContact CG1-CG2 3.48Å; V556-I635 HydrophobicContact CG1-CD1 4.32Å
557	L	86	Confident	73.5	Confident	54 Å²	54	96.6 Å²	96.6	28%	0.283	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-92.6	133.8	-178	-70.5	169.4	0	0	0	110.8	F563 L615 H618 T619 T620	L557-F563 HydrophobicContact CD1-CE1 4.48Å; L557-F563 HydrophobicContact CD2-CD1 4.36Å; L557-L615 HydrophobicContact CD1-CD2 3.64Å; L557-H618 PolarHBondContact N-O 2.99Å; L557-T619 HydrophobicContact CB-CG2 3.94Å; L557-T619 HydrophobicContact CD1-CG2 4.38Å; L557-T619 CarbonylContact O-C 3.57Å; L557-T619 WeakPolarHBondContact O-CA 3.44Å; L557-T620 PolarHBondContact O-N 2.93Å
558	L	85.2	Confident	75	Confident	49 Å²	49	92.6 Å²	92.6	26%	0.257	46%	0.461	S	S	.	.			trans	-79.1	131.2	174.3	-89.5	46.6	0	0	0	110.2	Y560 G561 T620	L558-Y560 HydrophobicContact CB-CD1 4.2Å; L558-Y560 HydrophobicContact CB-CE1 4.08Å; L558-Y560 HydrophobicContact CD2-CE1 3.91Å; L558-Y560 HydrophobicContact CD2-CE2 3.96Å; L558-Y560 VanDerWaalsContact CD2-CZ 3.5Å; L558-Y560 WeakPolarHBondContact CD2-OH 3.28Å; L558-Y560 HydrophobicContact CG-CD1 4.43Å; L558-Y560 HydrophobicContact CG-CE1 3.81Å; L558-Y560 PolarHBondContact O-N 3.08Å; L558-Y560 VanDerWaalsContact O-N 3.08Å; L558-G561 PolarHBondContact O-N 2.83Å; L558-T620 HydrophobicContact CD1-CG2 4.16Å
559	H	82.6	Confident	77	Confident	64 Å²	64	90.1 Å²	90.1	30%	0.296	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.7	175.1	62.6	-88.9	0	0	0	115.1	T620 V622	H559-T620 WeakPolarHBondContact CB-O 3.48Å; H559-T620 PolarHBondContact N-OG1 3.45Å; H559-T620 PolarHBondContact ND1-O 2.88Å; H559-T620 PolarHBondContact ND1-OG1 3.29Å; H559-V622 WeakPolarHBondContact CE1-CG2 3.24Å; H559-V622 WeakPolarHBondContact NE2-CG2 3.48Å
560	Y	82.4	Confident	78.6	Confident	102 Å²	102	84.1 Å²	84.1	40%	0.4	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	11.3	173.6	63.2	-87.1	0	0	0	112.8	L558 I628	L558-Y560 HydrophobicContact CB-CD1 4.2Å; L558-Y560 HydrophobicContact CB-CE1 4.08Å; L558-Y560 HydrophobicContact CD2-CE1 3.91Å; L558-Y560 HydrophobicContact CD2-CE2 3.96Å; L558-Y560 VanDerWaalsContact CD2-CZ 3.5Å; L558-Y560 WeakPolarHBondContact CD2-OH 3.28Å; L558-Y560 HydrophobicContact CG-CD1 4.43Å; L558-Y560 HydrophobicContact CG-CE1 3.81Å; L558-Y560 PolarHBondContact O-N 3.08Å; L558-Y560 VanDerWaalsContact O-N 3.08Å; Y560-I628 HydrophobicContact CE1-CD1 4.09Å
561	G	83.1	Confident	79.9	Confident	24 Å²	24	80.7 Å²	80.7	25%	0.247	40%	0.403	C	S	.	.	S	Bend	trans	-74.7	140.1	175.8	0	0	0	0	0	111.9	L558 F563 H564 I565	L558-G561 PolarHBondContact O-N 2.83Å; G561-F563 PolarHBondContact O-N 2.92Å; G561-F563 VanDerWaalsContact O-N 3.16Å; G561-H564 WeakPolarHBondContact O-CB 3.28Å; G561-H564 PolarHBondContact O-N 2.83Å; G561-I565 PolarHBondContact O-N 3.3Å
562	L	86.5	Confident	81.1	Confident	125 Å²	125	75.4 Å²	75.4	65%	0.654	37%	0.37	S	S	*	.	H	α-helix	trans	-52.9	-39.3	-178.1	-64.6	171.7	0	0	0	113.4	H564 I565 I566	L562-H564 VanDerWaalsContact C-N 3.34Å; L562-H564 PolarHBondContact O-N 2.85Å; L562-I565 PolarHBondContact O-N 3.01Å; L562-I566 WeakPolarHBondContact O-CG1 3.48Å; L562-I566 PolarHBondContact O-N 2.92Å
563	F	88.1	Confident	82.3	Confident	113 Å²	113	71.9 Å²	71.9	50%	0.496	36%	0.359	S	S	.	.	H	α-helix	trans	-58	-43.8	175	175.3	-98.7	0	0	0	112.6	L557 G561 I565 I566 W567 L615	L557-F563 HydrophobicContact CD1-CE1 4.48Å; L557-F563 HydrophobicContact CD2-CD1 4.36Å; G561-F563 PolarHBondContact O-N 2.92Å; G561-F563 VanDerWaalsContact O-N 3.16Å; F563-I565 VanDerWaalsContact C-N 3.34Å; F563-I565 PolarHBondContact O-N 3.34Å; F563-I566 PolarHBondContact O-N 2.91Å; F563-W567 HydrophobicContact CZ-CE3 4.32Å; F563-W567 VanDerWaalsContact O-CB 3.3Å; F563-W567 WeakPolarHBondContact O-CB 3.26Å; F563-W567 PolarHBondContact O-N 3.33Å; F563-L615 HydrophobicContact CE1-CD1 4.42Å; F563-L615 HydrophobicContact CE1-CD2 4.4Å
564	H	84.2	Confident	83.3	Confident	19 Å²	19	69.6 Å²	69.6	9%	0.088	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-40.7	178.9	-167.2	-37.2	0	0	0	111.3	G561 L562 W567 D568 T619	G561-H564 WeakPolarHBondContact O-CB 3.28Å; G561-H564 PolarHBondContact O-N 2.83Å; L562-H564 VanDerWaalsContact C-N 3.34Å; L562-H564 PolarHBondContact O-N 2.85Å; H564-W567 PolarHBondContact O-N 3.23Å; H564-D568 IonicContact CE1-OD1 3.78Å; H564-D568 PolarHBondContact CE1-OD1 3.45Å; H564-D568 IonicContact CE1-OD2 2.73Å; H564-D568 PolarHBondContact CE1-OD2 3.12Å; H564-D568 IonicContact ND1-OD1 2.82Å; H564-D568 PolarHBondContact ND1-OD1 2.94Å; H564-D568 IonicContact ND1-OD2 3.67Å; H564-D568 PolarHBondContact ND1-OD2 3.24Å; H564-D568 WeakPolarHBondContact O-CB 3.32Å; H564-D568 PolarHBondContact O-N 3.08Å; H564-T619 VanDerWaalsContact CD2-CG2 3.47Å; H564-T619 WeakPolarHBondContact CD2-CG2 3.48Å; H564-T619 WeakPolarHBondContact NE2-CG2 3.26Å
565	I	82.8	Confident	84	Confident	73 Å²	73	62.9 Å²	62.9	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-42.9	179	-61.7	169.4	0	0	0	110.5	G561 L562 F563 D568 W569	G561-I565 PolarHBondContact O-N 3.3Å; L562-I565 PolarHBondContact O-N 3.01Å; F563-I565 VanDerWaalsContact C-N 3.34Å; F563-I565 PolarHBondContact O-N 3.34Å; I565-D568 PolarHBondContact O-N 3.22Å; I565-W569 VanDerWaalsContact O-CD1 3.23Å; I565-W569 PolarHBondContact O-N 3.41Å
566	I	88	Confident	84.2	Confident	119 Å²	119	57.9 Å²	57.9	61%	0.61	28%	0.283	S	S	*	.	H	α-helix	trans	-66	-41.4	176.9	-66.3	164.7	0	0	0	111	L562 F563 W569 L570	L562-I566 WeakPolarHBondContact O-CG1 3.48Å; L562-I566 PolarHBondContact O-N 2.92Å; F563-I566 PolarHBondContact O-N 2.91Å; I566-W569 PolarHBondContact O-N 2.85Å; I566-L570 PolarHBondContact O-N 3.4Å
567	W	88.4	Confident	84.4	Confident	30 Å²	30	59.8 Å²	59.8	11%	0.114	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-42.4	176.5	-174.2	-100	0	0	0	112.2	F563 H564 W569 L570 L571 F608 V611 D612 L615	F563-W567 HydrophobicContact CZ-CE3 4.32Å; F563-W567 VanDerWaalsContact O-CB 3.3Å; F563-W567 WeakPolarHBondContact O-CB 3.26Å; F563-W567 PolarHBondContact O-N 3.33Å; H564-W567 PolarHBondContact O-N 3.23Å; W567-W569 VanDerWaalsContact C-N 3.33Å; W567-W569 PolarHBondContact O-N 3.34Å; W567-L570 HydrophobicContact CE3-CD2 4.4Å; W567-L570 HydrophobicContact CZ3-CD2 4.42Å; W567-L570 PolarHBondContact O-N 2.95Å; W567-L571 WeakPolarHBondContact O-CG 3.23Å; W567-L571 PolarHBondContact O-N 2.58Å; W567-F608 AromaticContact CH2-CD1 3.63Å; W567-F608 HydrophobicContact CH2-CD1 3.63Å; W567-F608 HydrophobicContact CH2-CE1 4.17Å; W567-F608 HydrophobicContact CZ2-CD1 4.46Å; W567-F608 AromaticContact CZ3-CD1 3.97Å; W567-F608 HydrophobicContact CZ3-CD1 3.97Å; W567-F608 HydrophobicContact CZ3-CE1 4.09Å; W567-V611 HydrophobicContact CH2-CB 4.05Å; W567-V611 HydrophobicContact CH2-CG1 3.55Å; W567-V611 HydrophobicContact CZ2-CB 4.08Å; W567-V611 HydrophobicContact CZ2-CG1 3.7Å; W567-D612 HydrophobicContact CZ2-CB 4.36Å; W567-D612 PolarHBondContact NE1-OD1 2.63Å; W567-L615 HydrophobicContact CD2-CD1 3.84Å; W567-L615 HydrophobicContact CE3-CD1 4.41Å; W567-L615 HydrophobicContact CG-CD1 4.3Å; W567-L615 HydrophobicContact CH2-CD1 4.2Å; W567-L615 HydrophobicContact CZ2-CD1 3.6Å
568	D	82.3	Confident	84.3	Confident	24 Å²	24	57.3 Å²	57.3	13%	0.128	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-40.9	174.9	-72.1	-38.6	0	0	0	112.9	H564 I565 L572 K732	H564-D568 IonicContact CE1-OD1 3.78Å; H564-D568 PolarHBondContact CE1-OD1 3.45Å; H564-D568 IonicContact CE1-OD2 2.73Å; H564-D568 PolarHBondContact CE1-OD2 3.12Å; H564-D568 IonicContact ND1-OD1 2.82Å; H564-D568 PolarHBondContact ND1-OD1 2.94Å; H564-D568 IonicContact ND1-OD2 3.67Å; H564-D568 PolarHBondContact ND1-OD2 3.24Å; H564-D568 WeakPolarHBondContact O-CB 3.32Å; H564-D568 PolarHBondContact O-N 3.08Å; I565-D568 PolarHBondContact O-N 3.22Å; D568-L572 PolarHBondContact O-N 2.91Å; D568-K732 HydrophobicContact CB-CD 4.41Å; D568-K732 IonicContact OD1-NZ 3.55Å; D568-K732 PolarHBondContact OD1-NZ 2.8Å; D568-K732 IonicContact OD2-NZ 2.65Å; D568-K732 PolarHBondContact OD2-NZ 3.4Å
569	W	83.2	Confident	84.3	Confident	116 Å²	116	55 Å²	55	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-69	-39.2	176.5	-84.1	109.3	0	0	0	112.6	I565 I566 W567 L572 I573 L736	I565-W569 VanDerWaalsContact O-CD1 3.23Å; I565-W569 PolarHBondContact O-N 3.41Å; I566-W569 PolarHBondContact O-N 2.85Å; W567-W569 VanDerWaalsContact C-N 3.33Å; W567-W569 PolarHBondContact O-N 3.34Å; W569-L572 HydrophobicContact CE3-CD2 3.87Å; W569-L572 HydrophobicContact CZ3-CD2 3.84Å; W569-L572 PolarHBondContact O-N 3.47Å; W569-I573 WeakPolarHBondContact O-CG1 3.33Å; W569-I573 PolarHBondContact O-N 3.03Å; W569-L736 HydrophobicContact CH2-CD1 4.36Å; W569-L736 HydrophobicContact CH2-CD2 3.71Å; W569-L736 HydrophobicContact CZ2-CD1 3.88Å; W569-L736 HydrophobicContact CZ2-CD2 3.9Å
570	L	86.7	Confident	84.5	Confident	67 Å²	67	56 Å²	56	35%	0.351	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-45.4	174.3	-179.3	62.1	0	0	0	110.9	I566 W567 L572 I573 L574 F608	I566-L570 PolarHBondContact O-N 3.4Å; W567-L570 HydrophobicContact CE3-CD2 4.4Å; W567-L570 HydrophobicContact CZ3-CD2 4.42Å; W567-L570 PolarHBondContact O-N 2.95Å; L570-L572 PolarHBondContact O-N 3.34Å; L570-I573 PolarHBondContact O-N 2.94Å; L570-L574 HydrophobicContact CD1-CD1 4.49Å; L570-L574 HydrophobicContact CG-CD1 4.12Å; L570-L574 VanDerWaalsContact O-CG 3.32Å; L570-L574 WeakPolarHBondContact O-CG 3.33Å; L570-L574 PolarHBondContact O-N 3.13Å; L570-F608 HydrophobicContact CD2-CD1 4.1Å; L570-F608 HydrophobicContact CD2-CE1 3.7Å; L570-F608 HydrophobicContact CD2-CZ 4.39Å
571	L	83.6	Confident	84.7	Confident	12 Å²	12	52.8 Å²	52.8	6%	0.063	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-38.9	175.9	-70.9	173.2	0	0	0	112.9	W567 I573 L574 T575 L609 D612	W567-L571 WeakPolarHBondContact O-CG 3.23Å; W567-L571 PolarHBondContact O-N 2.58Å; L571-I573 VanDerWaalsContact C-N 3.35Å; L571-I573 PolarHBondContact O-N 3.48Å; L571-L574 HydrophobicContact CD2-CD1 4.5Å; L571-L574 PolarHBondContact O-N 3.04Å; L571-T575 WeakPolarHBondContact O-CG2 3.31Å; L571-T575 PolarHBondContact O-N 3.23Å; L571-T575 PolarHBondContact O-OG1 2.95Å; L571-L609 HydrophobicContact CD2-CD2 4.09Å; L571-D612 HydrophobicContact CD1-CB 3.99Å; L571-D612 VanDerWaalsContact CD1-CG 3.42Å; L571-D612 VanDerWaalsContact CD1-OD1 3.31Å; L571-D612 WeakPolarHBondContact CD1-OD1 3.46Å; L571-D612 HydrophobicContact CD2-CB 4.26Å
572	L	79.4	Confident	84.6	Confident	13 Å²	13	52 Å²	52	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-48.3	175.4	-178.8	64.6	0	0	0	111	D568 W569 L570 L574 T575 F576 L726 L729	D568-L572 PolarHBondContact O-N 2.91Å; W569-L572 HydrophobicContact CE3-CD2 3.87Å; W569-L572 HydrophobicContact CZ3-CD2 3.84Å; W569-L572 PolarHBondContact O-N 3.47Å; L570-L572 PolarHBondContact O-N 3.34Å; L572-L574 PolarHBondContact O-N 3.2Å; L572-T575 WeakPolarHBondContact CA-OG1 3.42Å; L572-T575 PolarHBondContact O-N 2.95Å; L572-T575 PolarHBondContact O-OG1 2.93Å; L572-F576 HydrophobicContact CD1-CD2 4.34Å; L572-F576 HydrophobicContact CD1-CE1 4.19Å; L572-F576 HydrophobicContact CD1-CE2 3.68Å; L572-F576 HydrophobicContact CD1-CZ 3.6Å; L572-F576 HydrophobicContact CD2-CE2 4.11Å; L572-F576 HydrophobicContact CG-CD2 4.13Å; L572-F576 HydrophobicContact CG-CE2 3.63Å; L572-F576 HydrophobicContact CG-CZ 4.1Å; L572-F576 PolarHBondContact O-N 2.73Å; L572-L726 HydrophobicContact CD1-CD1 3.92Å; L572-L729 HydrophobicContact CB-CD1 3.97Å; L572-L729 HydrophobicContact CD1-CD1 3.64Å; L572-L729 HydrophobicContact CG-CD1 4.4Å
573	I	83.6	Confident	84.6	Confident	109 Å²	109	46.4 Å²	46.4	56%	0.559	22%	0.218	S	C	*	.	H	α-helix	trans	-60.4	-44.6	177	-65	165.7	0	0	0	110.9	W569 L570 L571 T575 F576 Y577	W569-I573 WeakPolarHBondContact O-CG1 3.33Å; W569-I573 PolarHBondContact O-N 3.03Å; L570-I573 PolarHBondContact O-N 2.94Å; L571-I573 VanDerWaalsContact C-N 3.35Å; L571-I573 PolarHBondContact O-N 3.48Å; I573-T575 PolarHBondContact O-N 2.69Å; I573-F576 PolarHBondContact O-N 3.19Å; I573-Y577 PolarHBondContact O-N 3.17Å
574	L	85	Confident	84.5	Confident	26 Å²	26	44.5 Å²	44.5	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-37.2	176.8	-65.9	167.2	0	0	0	112.3	L570 L571 L572 Y577 I578 V605 F608	L570-L574 HydrophobicContact CD1-CD1 4.49Å; L570-L574 HydrophobicContact CG-CD1 4.12Å; L570-L574 VanDerWaalsContact O-CG 3.32Å; L570-L574 WeakPolarHBondContact O-CG 3.33Å; L570-L574 PolarHBondContact O-N 3.13Å; L571-L574 HydrophobicContact CD2-CD1 4.5Å; L571-L574 PolarHBondContact O-N 3.04Å; L572-L574 PolarHBondContact O-N 3.2Å; L574-Y577 PolarHBondContact O-N 3.06Å; L574-I578 WeakPolarHBondContact O-CG1 3.39Å; L574-I578 PolarHBondContact O-N 2.82Å; L574-V605 HydrophobicContact CD2-CG2 4.01Å; L574-F608 HydrophobicContact CD1-CB 3.74Å; L574-F608 HydrophobicContact CD1-CD1 4.32Å; L574-F608 HydrophobicContact CD1-CD2 4.09Å; L574-F608 HydrophobicContact CD1-CG 3.8Å
575	T	81.4	Confident	84.3	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-33.9	174.3	54.5	0	0	0	0	113.2	L571 L572 I573 A579 R725	L571-T575 WeakPolarHBondContact O-CG2 3.31Å; L571-T575 PolarHBondContact O-N 3.23Å; L571-T575 PolarHBondContact O-OG1 2.95Å; L572-T575 WeakPolarHBondContact CA-OG1 3.42Å; L572-T575 PolarHBondContact O-N 2.95Å; L572-T575 PolarHBondContact O-OG1 2.93Å; I573-T575 PolarHBondContact O-N 2.69Å; T575-A579 PolarHBondContact O-N 3.34Å; T575-A579 VanDerWaalsContact O-N 3.12Å; T575-R725 HydrophobicContact CG2-CB 4.2Å
576	F	82.7	Confident	84.1	Confident	46 Å²	46	42.2 Å²	42.2	20%	0.202	20%	0.198	C	C	.	.	H	α-helix	trans	-71.4	-34.7	174.4	-69.8	-31.5	0	0	0	112.9	L572 I573 A579 F580 L726 L746 F749	L572-F576 HydrophobicContact CD1-CD2 4.34Å; L572-F576 HydrophobicContact CD1-CE1 4.19Å; L572-F576 HydrophobicContact CD1-CE2 3.68Å; L572-F576 HydrophobicContact CD1-CZ 3.6Å; L572-F576 HydrophobicContact CD2-CE2 4.11Å; L572-F576 HydrophobicContact CG-CD2 4.13Å; L572-F576 HydrophobicContact CG-CE2 3.63Å; L572-F576 HydrophobicContact CG-CZ 4.1Å; L572-F576 PolarHBondContact O-N 2.73Å; I573-F576 PolarHBondContact O-N 3.19Å; F576-A579 PolarHBondContact O-N 3.05Å; F576-F580 PolarHBondContact O-N 2.9Å; F576-L726 HydrophobicContact CE1-CD1 4.32Å; F576-L746 HydrophobicContact CZ-CD2 3.98Å; F576-F749 HydrophobicContact CB-CE1 4.1Å; F576-F749 HydrophobicContact CB-CE2 4.1Å; F576-F749 HydrophobicContact CB-CZ 3.55Å; F576-F749 AromaticContact CD1-CD1 3.83Å; F576-F749 HydrophobicContact CD1-CD1 3.83Å; F576-F749 AromaticContact CD1-CE1 3.17Å; F576-F749 HydrophobicContact CD1-CE1 3.17Å; F576-F749 AromaticContact CD1-CZ 3.61Å; F576-F749 HydrophobicContact CD1-CZ 3.61Å; F576-F749 HydrophobicContact CD2-CE1 4.31Å; F576-F749 HydrophobicContact CD2-CE2 4.5Å; F576-F749 HydrophobicContact CD2-CZ 4.29Å; F576-F749 AromaticContact CE1-CD1 3.68Å; F576-F749 HydrophobicContact CE1-CD1 3.68Å; F576-F749 AromaticContact CE1-CE1 3.5Å; F576-F749 HydrophobicContact CE1-CE1 3.5Å; F576-F749 VanDerWaalsContact CE1-CE1 3.5Å; F576-F749 HydrophobicContact CE1-CZ 4.32Å; F576-F749 HydrophobicContact CE2-CD1 4.43Å; F576-F749 HydrophobicContact CG-CD1 4.28Å; F576-F749 AromaticContact CG-CE1 3.63Å; F576-F749 HydrophobicContact CG-CE1 3.63Å; F576-F749 HydrophobicContact CG-CE2 4.17Å; F576-F749 AromaticContact CG-CZ 3.58Å; F576-F749 HydrophobicContact CG-CZ 3.58Å; F576-F749 AromaticContact CZ-CD1 3.99Å; F576-F749 HydrophobicContact CZ-CD1 3.99Å; F576-F749 HydrophobicContact CZ-CE1 4.19Å
577	Y	86.4	Confident	83.7	Confident	67 Å²	67	37.7 Å²	37.7	26%	0.263	18%	0.176	S	C	.	.	H	α-helix	trans	-58.6	-50.2	170.4	174.2	-94.4	0	0	0	111.5	I573 L574 A579 F580 I581 I601 V605	I573-Y577 PolarHBondContact O-N 3.17Å; L574-Y577 PolarHBondContact O-N 3.06Å; Y577-A579 VanDerWaalsContact C-N 3.28Å; Y577-A579 PolarHBondContact O-N 2.89Å; Y577-F580 PolarHBondContact O-N 2.98Å; Y577-I581 HydrophobicContact CD2-CG1 3.96Å; Y577-I581 HydrophobicContact CE1-CB 4.36Å; Y577-I581 HydrophobicContact CE1-CG1 4.21Å; Y577-I581 HydrophobicContact CE1-CG2 4.49Å; Y577-I581 HydrophobicContact CE2-CD1 4.39Å; Y577-I581 HydrophobicContact CE2-CG1 3.59Å; Y577-I581 HydrophobicContact CG-CG1 4.43Å; Y577-I581 PolarHBondContact O-N 3.13Å; Y577-I601 HydrophobicContact CE1-CG2 3.76Å; Y577-I601 HydrophobicContact CE2-CG2 4.15Å; Y577-I601 VanDerWaalsContact CZ-CG2 3.47Å; Y577-I601 VanDerWaalsContact OH-CG2 3.31Å; Y577-I601 WeakPolarHBondContact OH-CG2 3.49Å; Y577-V605 HydrophobicContact CD1-CG2 4.01Å; Y577-V605 HydrophobicContact CE1-CG2 4.16Å
578	I	84.4	Confident	83.3	Confident	2 Å²	2	37 Å²	37	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-57.7	-41.5	177.3	-62.6	162.2	0	0	0	111.2	L574 F580 V582 V605 L609 R722	L574-I578 WeakPolarHBondContact O-CG1 3.39Å; L574-I578 PolarHBondContact O-N 2.82Å; I578-F580 PolarHBondContact O-N 3.48Å; I578-V582 HydrophobicContact CG2-CG2 3.76Å; I578-V582 WeakPolarHBondContact O-CB 3.48Å; I578-V582 WeakPolarHBondContact O-CG2 3.3Å; I578-V582 PolarHBondContact O-N 3Å; I578-V582 VanDerWaalsContact O-N 3.12Å; I578-V605 HydrophobicContact CD1-CG1 3.63Å; I578-V605 HydrophobicContact CG1-CG1 3.83Å; I578-L609 HydrophobicContact CD1-CD1 4.11Å; I578-R722 HydrophobicContact CD1-CB 4.17Å; I578-R722 HydrophobicContact CG2-CB 4.16Å
579	A	85.1	Confident	82.7	Confident	1 Å²	1	38 Å²	38	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-24.1	-177.1	0	0	0	0	0	114.4	T575 F576 Y577 P583 L723 L753 W757	T575-A579 PolarHBondContact O-N 3.34Å; T575-A579 VanDerWaalsContact O-N 3.12Å; F576-A579 PolarHBondContact O-N 3.05Å; Y577-A579 VanDerWaalsContact C-N 3.28Å; Y577-A579 PolarHBondContact O-N 2.89Å; A579-P583 WeakPolarHBondContact O-CD 3.47Å; A579-P583 WeakPolarHBondContact O-CG 3.46Å; A579-L723 HydrophobicContact CB-CD1 4.34Å; A579-L723 HydrophobicContact CB-CD2 3.62Å; A579-L753 HydrophobicContact CB-CD1 3.66Å; A579-W757 PolarHBondContact O-NE1 3.45Å
580	F	88	Confident	81.5	Confident	83 Å²	83	36.5 Å²	36.5	36%	0.364	19%	0.185	S	C	.	.	H	α-helix	trans	-103.1	-39.3	-178.2	-164.4	-83.9	0	0	0	112	F576 Y577 I578 Y584 H756 Y803	F576-F580 PolarHBondContact O-N 2.9Å; Y577-F580 PolarHBondContact O-N 2.98Å; I578-F580 PolarHBondContact O-N 3.48Å; F580-Y584 WeakPolarHBondContact O-CB 3.27Å; F580-H756 HydrophobicContact CD2-CB 4.13Å; F580-H756 AromaticContact CD2-CD2 3.86Å; F580-H756 AromaticContact CD2-CG 3.74Å; F580-H756 HydrophobicContact CE2-CB 3.87Å; F580-H756 AromaticContact CE2-CG 3.62Å; F580-H756 AromaticContact CE2-ND1 3.73Å; F580-H756 AromaticContact CZ-ND1 3.73Å; F580-H756 PolarHBondContact O-NE2 3.34Å; F580-Y803 WeakPolarHBondContact CZ-OH 3.28Å
581	I	85.6	Confident	80	Confident	36 Å²	36	37.1 Å²	37.1	19%	0.185	19%	0.186	C	C	.	.	H	α-helix	trans	-79.3	-34.1	-176.3	-64.9	-60.2	0	0	0	112.7	Y577 Y584 N585	Y577-I581 HydrophobicContact CD2-CG1 3.96Å; Y577-I581 HydrophobicContact CE1-CB 4.36Å; Y577-I581 HydrophobicContact CE1-CG1 4.21Å; Y577-I581 HydrophobicContact CE1-CG2 4.49Å; Y577-I581 HydrophobicContact CE2-CD1 4.39Å; Y577-I581 HydrophobicContact CE2-CG1 3.59Å; Y577-I581 HydrophobicContact CG-CG1 4.43Å; Y577-I581 PolarHBondContact O-N 3.13Å; I581-Y584 PolarHBondContact O-N 3.36Å; I581-N585 WeakPolarHBondContact CG2-ND2 3.4Å; I581-N585 WeakPolarHBondContact O-CB 3.45Å; I581-N585 PolarHBondContact O-N 3.04Å; I581-N585 PolarHBondContact O-OD1 2.85Å; I581-N585 VanDerWaalsContact O-OD1 3.1Å
582	V	81.7	Confident	78.5	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-48.8	-179.4	171.2	0	0	0	0	113.1	I578 Y584 V586 K719 L720	I578-V582 HydrophobicContact CG2-CG2 3.76Å; I578-V582 WeakPolarHBondContact O-CB 3.48Å; I578-V582 WeakPolarHBondContact O-CG2 3.3Å; I578-V582 PolarHBondContact O-N 3Å; I578-V582 VanDerWaalsContact O-N 3.12Å; V582-Y584 PolarHBondContact O-N 2.92Å; V582-V586 WeakPolarHBondContact O-CB 3.33Å; V582-V586 VanDerWaalsContact O-CG2 3.27Å; V582-V586 WeakPolarHBondContact O-CG2 3.45Å; V582-V586 PolarHBondContact O-N 2.87Å; V582-V586 VanDerWaalsContact O-N 3.14Å; V582-K719 HydrophobicContact CG1-CB 3.91Å; V582-K719 HydrophobicContact CG2-CB 3.84Å; V582-K719 HydrophobicContact CG2-CD 4.1Å; V582-L720 HydrophobicContact CB-CD2 3.82Å; V582-L720 HydrophobicContact CG1-CD2 3.59Å; V582-L720 HydrophobicContact CG1-CG 3.84Å
583	P	85.8	Confident	77.2	Confident	8 Å²	8	45.6 Å²	45.6	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-40	176.9	-19.6	32.4	0	0	0	112.5	A579 V586 T587 L720 C760	A579-P583 WeakPolarHBondContact O-CD 3.47Å; A579-P583 WeakPolarHBondContact O-CG 3.46Å; P583-V586 PolarHBondContact O-N 3.23Å; P583-T587 PolarHBondContact O-N 3.44Å; P583-T587 VanDerWaalsContact O-N 3.12Å; P583-T587 PolarHBondContact O-OG1 2.94Å; P583-L720 HydrophobicContact CG-CD2 4.14Å; P583-C760 HydrophobicContact CB-CB 4.34Å
584	Y	86.9	Confident	75.9	Confident	73 Å²	73	41.9 Å²	41.9	29%	0.286	22%	0.223	S	C	.	.	H	α-helix	trans	-59.1	-54.3	177.3	-178.2	-100.3	0	0	0	112	F580 I581 V582 V586 T587 F588 Y803	F580-Y584 WeakPolarHBondContact O-CB 3.27Å; I581-Y584 PolarHBondContact O-N 3.36Å; V582-Y584 PolarHBondContact O-N 2.92Å; Y584-V586 VanDerWaalsContact C-N 3.31Å; Y584-V586 PolarHBondContact O-N 3.13Å; Y584-T587 PolarHBondContact O-N 3.2Å; Y584-T587 PolarHBondContact O-OG1 3.37Å; Y584-F588 HydrophobicContact CD2-CB 4.36Å; Y584-F588 AromaticContact CD2-CD2 3.68Å; Y584-F588 HydrophobicContact CD2-CD2 3.68Å; Y584-F588 HydrophobicContact CD2-CE2 4.36Å; Y584-F588 HydrophobicContact CD2-CG 4.23Å; Y584-F588 HydrophobicContact CE2-CB 4.03Å; Y584-F588 AromaticContact CE2-CD2 3.92Å; Y584-F588 HydrophobicContact CE2-CD2 3.92Å; Y584-F588 HydrophobicContact CE2-CG 4.01Å; Y584-F588 HydrophobicContact CG-CD2 4.47Å; Y584-F588 PolarHBondContact O-N 3.05Å; Y584-Y803 HydrophobicContact CD2-CD2 4Å; Y584-Y803 HydrophobicContact CD2-CE2 4.12Å; Y584-Y803 HydrophobicContact CE2-CD2 4Å; Y584-Y803 HydrophobicContact CE2-CE2 4.46Å; Y584-Y803 HydrophobicContact CE2-CG 4.06Å
585	N	80.4	Confident	74.8	Confident	19 Å²	19	43.6 Å²	43.6	10%	0.102	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-38.1	-178.9	-61.9	5.1	0	0	0	111.5	I581 T587 E589 H594	I581-N585 WeakPolarHBondContact CG2-ND2 3.4Å; I581-N585 WeakPolarHBondContact O-CB 3.45Å; I581-N585 PolarHBondContact O-N 3.04Å; I581-N585 PolarHBondContact O-OD1 2.85Å; I581-N585 VanDerWaalsContact O-OD1 3.1Å; N585-T587 VanDerWaalsContact C-N 3.31Å; N585-T587 PolarHBondContact O-N 3.13Å; N585-E589 WeakPolarHBondContact O-CB 3.41Å; N585-E589 PolarHBondContact O-N 2.83Å; N585-H594 PolarHBondContact ND2-CE1 2.94Å
586	V	76.8	Confident	74	Confident	25 Å²	25	45.6 Å²	45.6	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-28.5	179	167.6	0	0	0	0	112.9	V582 P583 Y584 F709 Q716 M717	V582-V586 WeakPolarHBondContact O-CB 3.33Å; V582-V586 VanDerWaalsContact O-CG2 3.27Å; V582-V586 WeakPolarHBondContact O-CG2 3.45Å; V582-V586 PolarHBondContact O-N 2.87Å; V582-V586 VanDerWaalsContact O-N 3.14Å; P583-V586 PolarHBondContact O-N 3.23Å; Y584-V586 VanDerWaalsContact C-N 3.31Å; Y584-V586 PolarHBondContact O-N 3.13Å; V586-F709 HydrophobicContact CG1-CE1 4.4Å; V586-Q716 HydrophobicContact CG2-CB 3.75Å; V586-M717 HydrophobicContact CG1-CE 4.28Å; V586-M717 HydrophobicContact CG1-CG 3.99Å; V586-M717 HydrophobicContact CG1-SD 4.22Å
587	T	80.6	Confident	73.4	Confident	23 Å²	23	53.1 Å²	53.1	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-106.1	-33.1	-173.1	53.7	0	0	0	0	114.8	P583 Y584 N585 C760 Y763 V764	P583-T587 PolarHBondContact O-N 3.44Å; P583-T587 VanDerWaalsContact O-N 3.12Å; P583-T587 PolarHBondContact O-OG1 2.94Å; Y584-T587 PolarHBondContact O-N 3.2Å; Y584-T587 PolarHBondContact O-OG1 3.37Å; N585-T587 VanDerWaalsContact C-N 3.31Å; N585-T587 PolarHBondContact O-N 3.13Å; T587-C760 HydrophobicContact CG2-CB 4.02Å; T587-Y763 VanDerWaalsContact O-CE1 3.28Å; T587-Y763 WeakPolarHBondContact O-CE1 3.49Å; T587-V764 HydrophobicContact CG2-CG2 3.57Å
588	F	79.6	Confident	72.7	Confident	17 Å²	17	51.9 Å²	51.9	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-108	-18.7	-176.8	-65.2	-87.4	0	0	0	114.5	Y584 Y763 K802 Y803	Y584-F588 HydrophobicContact CD2-CB 4.36Å; Y584-F588 AromaticContact CD2-CD2 3.68Å; Y584-F588 HydrophobicContact CD2-CD2 3.68Å; Y584-F588 HydrophobicContact CD2-CE2 4.36Å; Y584-F588 HydrophobicContact CD2-CG 4.23Å; Y584-F588 HydrophobicContact CE2-CB 4.03Å; Y584-F588 AromaticContact CE2-CD2 3.92Å; Y584-F588 HydrophobicContact CE2-CD2 3.92Å; Y584-F588 HydrophobicContact CE2-CG 4.01Å; Y584-F588 HydrophobicContact CG-CD2 4.47Å; Y584-F588 PolarHBondContact O-N 3.05Å; F588-Y763 AromaticContact CD1-CD1 3.59Å; F588-Y763 HydrophobicContact CD1-CD1 3.59Å; F588-Y763 AromaticContact CD1-CE1 3.57Å; F588-Y763 HydrophobicContact CD1-CE1 3.57Å; F588-Y763 HydrophobicContact CD1-CG 4.22Å; F588-Y763 HydrophobicContact CD2-CD1 4.39Å; F588-Y763 AromaticContact CE1-CD1 3.27Å; F588-Y763 HydrophobicContact CE1-CD1 3.27Å; F588-Y763 AromaticContact CE1-CD2 3.97Å; F588-Y763 HydrophobicContact CE1-CD2 3.97Å; F588-Y763 AromaticContact CE1-CE1 3.67Å; F588-Y763 HydrophobicContact CE1-CE1 3.67Å; F588-Y763 HydrophobicContact CE1-CE2 4.33Å; F588-Y763 AromaticContact CE1-CG 3.44Å; F588-Y763 HydrophobicContact CE1-CG 3.44Å; F588-Y763 VanDerWaalsContact CE1-CG 3.44Å; F588-Y763 HydrophobicContact CE2-CD1 4.12Å; F588-Y763 HydrophobicContact CG-CD1 4.15Å; F588-Y763 HydrophobicContact CG-CE1 4.22Å; F588-Y763 AromaticContact CZ-CD1 3.55Å; F588-Y763 HydrophobicContact CZ-CD1 3.55Å; F588-Y763 HydrophobicContact CZ-CD2 4.46Å; F588-Y763 HydrophobicContact CZ-CE1 4.37Å; F588-Y763 AromaticContact CZ-CG 3.61Å; F588-Y763 HydrophobicContact CZ-CG 3.61Å; F588-K802 HydrophobicContact CE1-CB 4.27Å; F588-Y803 HydrophobicContact CD2-CD2 4.24Å; F588-Y803 HydrophobicContact CE1-CD2 4.33Å; F588-Y803 AromaticContact CE2-CD2 3.66Å; F588-Y803 HydrophobicContact CE2-CD2 3.66Å; F588-Y803 HydrophobicContact CE2-CE2 4.41Å; F588-Y803 AromaticContact CZ-CD2 3.71Å; F588-Y803 HydrophobicContact CZ-CD2 3.71Å; F588-Y803 HydrophobicContact CZ-CG 4.4Å
589	E	70.4	Confident	72.2	Confident	43 Å²	43	58.3 Å²	58.3	20%	0.201	31%	0.31	C	S	.	.			trans	-105.9	101.4	-172.9	-161.7	173.2	-169.8	0	0	112.1	N585 H591 H594	N585-E589 WeakPolarHBondContact O-CB 3.41Å; N585-E589 PolarHBondContact O-N 2.83Å; E589-H591 PolarHBondContact O-N 3Å; E589-H594 WeakPolarHBondContact OE1-CA 3.35Å; E589-H594 IonicContact OE1-CE1 2.79Å; E589-H594 IonicContact OE1-CG 3.49Å; E589-H594 IonicContact OE1-ND1 3.48Å; E589-H594 PolarHBondContact OE1-ND1 3.37Å; E589-H594 IonicContact OE2-CE1 3.44Å; E589-H594 PolarHBondContact OE2-CE1 3.41Å; E589-H594 IonicContact OE2-ND1 2.98Å; E589-H594 PolarHBondContact OE2-ND1 3.33Å
590	S	57.4	Low	71.9	Confident	85 Å²	85	63 Å²	63	59%	0.594	33%	0.334	S	S	*	.			trans	-59.5	135.8	173.1	-173.3	0	0	0	0	110.9	S592 T593	S590-S592 PolarHBondContact O-N 3.4Å; S590-T593 PolarHBondContact O-N 3.3Å; S590-T593 VanDerWaalsContact O-N 3.16Å; S590-T593 PolarHBondContact O-OG1 3.4Å
591	H	55.5	Low	71.7	Confident	80 Å²	80	62.6 Å²	62.6	37%	0.37	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-18.1	-167.5	-68.5	-43.1	0	0	0	115.8	E589 Q716	E589-H591 PolarHBondContact O-N 3Å; H591-Q716 PolarHBondContact CE1-OE1 3.01Å
592	S	52	Low	71.4	Confident	105 Å²	105	61.2 Å²	61.2	73%	0.734	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-25	-178.8	53	0	0	0	0	115.2	S590	S590-S592 PolarHBondContact O-N 3.4Å
593	T	52.1	Low	71.3	Confident	98 Å²	98	64.2 Å²	64.2	60%	0.601	34%	0.344	S	S	*	.			trans	-107.2	12.8	-168.2	52.1	0	0	0	0	115.1	S590 S595	S590-T593 PolarHBondContact O-N 3.3Å; S590-T593 VanDerWaalsContact O-N 3.16Å; S590-T593 PolarHBondContact O-OG1 3.4Å; T593-S595 PolarHBondContact O-N 3.45Å
594	H	56.3	Low	71.3	Confident	31 Å²	31	68 Å²	68	14%	0.144	36%	0.363	C	S	.	.			trans	-64.2	100.1	-170.8	-151.4	22.4	0	0	0	113.1	N585 E589 G596	N585-H594 PolarHBondContact ND2-CE1 2.94Å; E589-H594 WeakPolarHBondContact OE1-CA 3.35Å; E589-H594 IonicContact OE1-CE1 2.79Å; E589-H594 IonicContact OE1-CG 3.49Å; E589-H594 IonicContact OE1-ND1 3.48Å; E589-H594 PolarHBondContact OE1-ND1 3.37Å; E589-H594 IonicContact OE2-CE1 3.44Å; E589-H594 PolarHBondContact OE2-CE1 3.41Å; E589-H594 IonicContact OE2-ND1 2.98Å; E589-H594 PolarHBondContact OE2-ND1 3.33Å; H594-G596 PolarHBondContact O-N 3.1Å
595	S	61.7	Low	71.2	Confident	63 Å²	63	64.6 Å²	64.6	44%	0.441	35%	0.35	S	S	.	.			trans	-60	131.9	-171.1	-170.7	0	0	0	0	111.3	T593 R597 C598	T593-S595 PolarHBondContact O-N 3.45Å; S595-R597 PolarHBondContact O-N 2.83Å; S595-C598 WeakPolarHBondContact O-CB 3.46Å; S595-C598 PolarHBondContact O-N 3.35Å
596	G	65.3	Low	71.3	Confident	45 Å²	45	64.1 Å²	64.1	46%	0.464	35%	0.347	S	S	.	.	H	α-helix	trans	-55.7	-24	-175	0	0	0	0	0	114.4	H594 I600	H594-G596 PolarHBondContact O-N 3.1Å; G596-I600 WeakPolarHBondContact O-CD1 3.44Å; G596-I600 VanDerWaalsContact O-CG1 3.3Å; G596-I600 WeakPolarHBondContact O-CG1 3.32Å; G596-I600 PolarHBondContact O-N 2.78Å
597	R	70.2	Confident	71.8	Confident	205 Å²	205	67 Å²	67	77%	0.774	36%	0.361	S	S	*	.	H	α-helix	trans	-63.8	-41.1	173.5	-65.9	179	179.9	160.8	0.9	112.8	S595 I600 I601	S595-R597 PolarHBondContact O-N 2.83Å; R597-I600 PolarHBondContact O-N 3.13Å; R597-I601 WeakPolarHBondContact O-CG1 3.22Å; R597-I601 PolarHBondContact O-N 2.85Å
598	C	71.5	Confident	72.2	Confident	41 Å²	41	69.1 Å²	69.1	28%	0.277	37%	0.368	S	S	.	.	H	α-helix	trans	-65.8	-46.6	179.1	-58.9	0	0	0	0	110.7	S595 I600 I601 D602	S595-C598 WeakPolarHBondContact O-CB 3.46Å; S595-C598 PolarHBondContact O-N 3.35Å; C598-I600 VanDerWaalsContact C-N 3.26Å; C598-I600 PolarHBondContact O-N 3.39Å; C598-I601 PolarHBondContact O-N 3.36Å; C598-D602 PolarHBondContact O-N 3.29Å
599	R	72.4	Confident	72.4	Confident	136 Å²	136	68.4 Å²	68.4	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-59	-33.4	176.8	-64.6	-176.2	179.9	178.6	-0.4	113.2	L603	R599-L603 VanDerWaalsContact O-CB 3.3Å; R599-L603 WeakPolarHBondContact O-CB 3.4Å; R599-L603 PolarHBondContact O-N 2.79Å
600	I	80.6	Confident	73.1	Confident	100 Å²	100	70 Å²	70	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-67.6	-38	174.2	-69.8	163	0	0	0	111.5	G596 R597 C598 L604	G596-I600 WeakPolarHBondContact O-CD1 3.44Å; G596-I600 VanDerWaalsContact O-CG1 3.3Å; G596-I600 WeakPolarHBondContact O-CG1 3.32Å; G596-I600 PolarHBondContact O-N 2.78Å; R597-I600 PolarHBondContact O-N 3.13Å; C598-I600 VanDerWaalsContact C-N 3.26Å; C598-I600 PolarHBondContact O-N 3.39Å; I600-L604 HydrophobicContact CG2-CD1 4.3Å; I600-L604 WeakPolarHBondContact O-CG 3.47Å; I600-L604 PolarHBondContact O-N 3.07Å
601	I	82.8	Confident	74.6	Confident	74 Å²	74	68.7 Å²	68.7	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-70.8	-44.8	178.4	-58.9	166.1	0	0	0	110.3	Y577 R597 C598 L603 L604 V605	Y577-I601 HydrophobicContact CE1-CG2 3.76Å; Y577-I601 HydrophobicContact CE2-CG2 4.15Å; Y577-I601 VanDerWaalsContact CZ-CG2 3.47Å; Y577-I601 VanDerWaalsContact OH-CG2 3.31Å; Y577-I601 WeakPolarHBondContact OH-CG2 3.49Å; R597-I601 WeakPolarHBondContact O-CG1 3.22Å; R597-I601 PolarHBondContact O-N 2.85Å; C598-I601 PolarHBondContact O-N 3.36Å; I601-L603 VanDerWaalsContact C-N 3.32Å; I601-L603 PolarHBondContact O-N 3.12Å; I601-L604 PolarHBondContact O-N 3.35Å; I601-L604 VanDerWaalsContact O-N 3.16Å; I601-V605 HydrophobicContact CG2-CG2 4.45Å; I601-V605 VanDerWaalsContact O-CG2 3.29Å; I601-V605 WeakPolarHBondContact O-CG2 3.14Å; I601-V605 PolarHBondContact O-N 3.31Å
602	D	78.8	Confident	76.2	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.043	35%	0.347	C	S	.	.	H	α-helix	trans	-59.2	-40.9	174.6	-82.3	-20.5	0	0	0	112.1	C598 V605 E606	C598-D602 PolarHBondContact O-N 3.29Å; D602-V605 WeakPolarHBondContact O-CB 3.3Å; D602-V605 PolarHBondContact O-N 3.32Å; D602-E606 WeakPolarHBondContact O-CG 3.41Å; D602-E606 PolarHBondContact O-N 2.94Å
603	L	81	Confident	77.9	Confident	70 Å²	70	61.3 Å²	61.3	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-45.4	173.1	173.9	63.7	0	0	0	112.5	R599 I601 V605 E606 I607 F656	R599-L603 VanDerWaalsContact O-CB 3.3Å; R599-L603 WeakPolarHBondContact O-CB 3.4Å; R599-L603 PolarHBondContact O-N 2.79Å; I601-L603 VanDerWaalsContact C-N 3.32Å; I601-L603 PolarHBondContact O-N 3.12Å; L603-V605 VanDerWaalsContact C-N 3.34Å; L603-E606 PolarHBondContact O-N 3.3Å; L603-I607 HydrophobicContact CD1-CD1 4.24Å; L603-I607 HydrophobicContact CG-CD1 4.15Å; L603-I607 WeakPolarHBondContact O-CG1 3.36Å; L603-I607 PolarHBondContact O-N 3.39Å; L603-F656 HydrophobicContact CD1-CE2 3.66Å; L603-F656 HydrophobicContact CD1-CZ 3.71Å
604	L	85.8	Confident	79.7	Confident	87 Å²	87	61.2 Å²	61.2	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-43.2	176.7	-73.8	170	0	0	0	111.1	I600 I601 E606 I607 F608	I600-L604 HydrophobicContact CG2-CD1 4.3Å; I600-L604 WeakPolarHBondContact O-CG 3.47Å; I600-L604 PolarHBondContact O-N 3.07Å; I601-L604 PolarHBondContact O-N 3.35Å; I601-L604 VanDerWaalsContact O-N 3.16Å; L604-E606 VanDerWaalsContact C-N 3.34Å; L604-E606 PolarHBondContact O-N 2.78Å; L604-I607 PolarHBondContact O-N 2.9Å; L604-F608 VanDerWaalsContact O-CD2 3.23Å; L604-F608 WeakPolarHBondContact O-CD2 3.13Å; L604-F608 PolarHBondContact O-N 3Å
605	V	84.4	Confident	81.3	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-48.3	174.2	169.4	0	0	0	0	110.4	L574 Y577 I578 I601 D602 L603 I607 F608 L609	L574-V605 HydrophobicContact CD2-CG2 4.01Å; Y577-V605 HydrophobicContact CD1-CG2 4.01Å; Y577-V605 HydrophobicContact CE1-CG2 4.16Å; I578-V605 HydrophobicContact CD1-CG1 3.63Å; I578-V605 HydrophobicContact CG1-CG1 3.83Å; I601-V605 HydrophobicContact CG2-CG2 4.45Å; I601-V605 VanDerWaalsContact O-CG2 3.29Å; I601-V605 WeakPolarHBondContact O-CG2 3.14Å; I601-V605 PolarHBondContact O-N 3.31Å; D602-V605 WeakPolarHBondContact O-CB 3.3Å; D602-V605 PolarHBondContact O-N 3.32Å; L603-V605 VanDerWaalsContact C-N 3.34Å; V605-I607 VanDerWaalsContact C-N 3.35Å; V605-I607 PolarHBondContact O-N 3.24Å; V605-F608 PolarHBondContact O-N 2.91Å; V605-L609 HydrophobicContact CG1-CD1 3.83Å; V605-L609 WeakPolarHBondContact O-CG 3.49Å; V605-L609 PolarHBondContact O-N 2.85Å; V605-L609 VanDerWaalsContact O-N 3.14Å
606	E	82.2	Confident	82.6	Confident	9 Å²	9	59.5 Å²	59.5	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-41	176.8	-72.5	-177.3	177.5	0	0	113	D602 L603 L604 L609 I610 P653 R722	D602-E606 WeakPolarHBondContact O-CG 3.41Å; D602-E606 PolarHBondContact O-N 2.94Å; L603-E606 PolarHBondContact O-N 3.3Å; L604-E606 VanDerWaalsContact C-N 3.34Å; L604-E606 PolarHBondContact O-N 2.78Å; E606-L609 PolarHBondContact O-N 2.9Å; E606-I610 WeakPolarHBondContact O-CG1 3.22Å; E606-I610 PolarHBondContact O-N 3.45Å; E606-P653 WeakPolarHBondContact OE2-CA 3.46Å; E606-P653 VanDerWaalsContact OE2-CB 3.22Å; E606-P653 WeakPolarHBondContact OE2-CB 3.28Å; E606-R722 IonicContact OE1-CZ 3.36Å; E606-R722 VanDerWaalsContact OE1-CZ 3.32Å; E606-R722 IonicContact OE1-NH1 3.16Å; E606-R722 PolarHBondContact OE1-NH1 2.86Å; E606-R722 VanDerWaalsContact OE1-NH1 3.08Å; E606-R722 IonicContact OE1-NH2 3.21Å; E606-R722 PolarHBondContact OE1-NH2 3.27Å
607	I	87	Confident	83.8	Confident	84 Å²	84	60.4 Å²	60.4	43%	0.431	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-46.6	176.5	-67.5	164.3	0	0	0	111.4	L603 L604 V605 L609 I610 V611	L603-I607 HydrophobicContact CD1-CD1 4.24Å; L603-I607 HydrophobicContact CG-CD1 4.15Å; L603-I607 WeakPolarHBondContact O-CG1 3.36Å; L603-I607 PolarHBondContact O-N 3.39Å; L604-I607 PolarHBondContact O-N 2.9Å; V605-I607 VanDerWaalsContact C-N 3.35Å; V605-I607 PolarHBondContact O-N 3.24Å; I607-L609 VanDerWaalsContact C-N 3.26Å; I607-L609 PolarHBondContact O-N 2.92Å; I607-I610 PolarHBondContact O-N 3.4Å; I607-V611 WeakPolarHBondContact O-CG2 3.26Å; I607-V611 PolarHBondContact O-N 3.44Å
608	F	88.7	Confident	84.7	Confident	69 Å²	69	52.4 Å²	52.4	30%	0.303	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-38.9	176.5	-84.5	-74.8	0	0	0	112.2	W567 L570 L574 L604 V605 V611 D612	W567-F608 AromaticContact CH2-CD1 3.63Å; W567-F608 HydrophobicContact CH2-CD1 3.63Å; W567-F608 HydrophobicContact CH2-CE1 4.17Å; W567-F608 HydrophobicContact CZ2-CD1 4.46Å; W567-F608 AromaticContact CZ3-CD1 3.97Å; W567-F608 HydrophobicContact CZ3-CD1 3.97Å; W567-F608 HydrophobicContact CZ3-CE1 4.09Å; L570-F608 HydrophobicContact CD2-CD1 4.1Å; L570-F608 HydrophobicContact CD2-CE1 3.7Å; L570-F608 HydrophobicContact CD2-CZ 4.39Å; L574-F608 HydrophobicContact CD1-CB 3.74Å; L574-F608 HydrophobicContact CD1-CD1 4.32Å; L574-F608 HydrophobicContact CD1-CD2 4.09Å; L574-F608 HydrophobicContact CD1-CG 3.8Å; L604-F608 VanDerWaalsContact O-CD2 3.23Å; L604-F608 WeakPolarHBondContact O-CD2 3.13Å; L604-F608 PolarHBondContact O-N 3Å; V605-F608 PolarHBondContact O-N 2.91Å; F608-V611 PolarHBondContact O-N 2.78Å; F608-D612 PolarHBondContact O-N 3Å
609	L	83.8	Confident	85.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-71.8	-35	-179.4	-63.5	169.7	0	0	0	112.5	L571 I578 V605 E606 I607 D612 V613	L571-L609 HydrophobicContact CD2-CD2 4.09Å; I578-L609 HydrophobicContact CD1-CD1 4.11Å; V605-L609 HydrophobicContact CG1-CD1 3.83Å; V605-L609 WeakPolarHBondContact O-CG 3.49Å; V605-L609 PolarHBondContact O-N 2.85Å; V605-L609 VanDerWaalsContact O-N 3.14Å; E606-L609 PolarHBondContact O-N 2.9Å; I607-L609 VanDerWaalsContact C-N 3.26Å; I607-L609 PolarHBondContact O-N 2.92Å; L609-D612 PolarHBondContact O-N 2.92Å; L609-V613 PolarHBondContact O-N 2.71Å
610	I	85.7	Confident	86.4	Confident	78 Å²	78	45 Å²	45	40%	0.4	23%	0.231	S	C	.	.	H	α-helix	trans	-67.5	-41.1	172	-67.7	164.7	0	0	0	110.7	E606 I607 D612 V613 I614 A651	E606-I610 WeakPolarHBondContact O-CG1 3.22Å; E606-I610 PolarHBondContact O-N 3.45Å; I607-I610 PolarHBondContact O-N 3.4Å; I610-D612 VanDerWaalsContact C-N 3.3Å; I610-D612 PolarHBondContact O-N 3.12Å; I610-V613 PolarHBondContact O-N 2.8Å; I610-I614 HydrophobicContact CG2-CD1 4.41Å; I610-I614 PolarHBondContact O-N 2.85Å; I610-A651 HydrophobicContact CG1-CB 4.4Å
611	V	89.9	Confident	86.7	Confident	57 Å²	57	42.1 Å²	42.1	35%	0.345	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-36.9	176.3	173.8	0	0	0	0	111.4	W567 I607 F608 V613 I614 L615	W567-V611 HydrophobicContact CH2-CB 4.05Å; W567-V611 HydrophobicContact CH2-CG1 3.55Å; W567-V611 HydrophobicContact CZ2-CB 4.08Å; W567-V611 HydrophobicContact CZ2-CG1 3.7Å; I607-V611 WeakPolarHBondContact O-CG2 3.26Å; I607-V611 PolarHBondContact O-N 3.44Å; F608-V611 PolarHBondContact O-N 2.78Å; V611-V613 PolarHBondContact O-N 2.79Å; V611-I614 PolarHBondContact O-N 3.15Å; V611-L615 HydrophobicContact CG1-CD1 3.87Å; V611-L615 HydrophobicContact CG1-CG 4.23Å; V611-L615 WeakPolarHBondContact O-CG 3.35Å; V611-L615 PolarHBondContact O-N 3.07Å
612	D	88.5	Confident	86.9	Confident	9 Å²	9	42 Å²	42	5%	0.048	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-43.1	175.4	-169.9	55.1	0	0	0	112.9	W567 L571 F608 L609 I610 I614 L615 N616	W567-D612 HydrophobicContact CZ2-CB 4.36Å; W567-D612 PolarHBondContact NE1-OD1 2.63Å; L571-D612 HydrophobicContact CD1-CB 3.99Å; L571-D612 VanDerWaalsContact CD1-CG 3.42Å; L571-D612 VanDerWaalsContact CD1-OD1 3.31Å; L571-D612 WeakPolarHBondContact CD1-OD1 3.46Å; L571-D612 HydrophobicContact CD2-CB 4.26Å; F608-D612 PolarHBondContact O-N 3Å; L609-D612 PolarHBondContact O-N 2.92Å; I610-D612 VanDerWaalsContact C-N 3.3Å; I610-D612 PolarHBondContact O-N 3.12Å; D612-I614 PolarHBondContact O-N 2.89Å; D612-L615 PolarHBondContact O-N 3.41Å; D612-L615 VanDerWaalsContact O-N 3.11Å; D612-N616 WeakPolarHBondContact O-CB 3.24Å; D612-N616 PolarHBondContact O-N 2.86Å; D612-N616 PolarHBondContact O-ND2 2.97Å; D612-N616 VanDerWaalsContact O-ND2 3.16Å; D612-N616 PolarHBondContact OD2-ND2 3.08Å
613	V	87.7	Confident	87.2	Confident	21 Å²	21	44.4 Å²	44.4	13%	0.127	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-41.3	175.3	177.7	0	0	0	0	111	L609 I610 V611 F617 L644 D647 A651	L609-V613 PolarHBondContact O-N 2.71Å; I610-V613 PolarHBondContact O-N 2.8Å; V611-V613 PolarHBondContact O-N 2.79Å; V613-F617 HydrophobicContact CG1-CE2 4.26Å; V613-F617 VanDerWaalsContact O-CD2 3.24Å; V613-F617 WeakPolarHBondContact O-CD2 3.32Å; V613-L644 HydrophobicContact CG1-CD1 4.12Å; V613-D647 HydrophobicContact CG2-CB 3.78Å; V613-A651 HydrophobicContact CG2-CB 4.46Å
614	I	90.4	Very high	87.4	Confident	95 Å²	95	49.1 Å²	49.1	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-44.9	176.3	-62.5	169.1	0	0	0	110.6	I610 V611 D612 N616 F617 H618	I610-I614 HydrophobicContact CG2-CD1 4.41Å; I610-I614 PolarHBondContact O-N 2.85Å; V611-I614 PolarHBondContact O-N 3.15Å; D612-I614 PolarHBondContact O-N 2.89Å; I614-N616 VanDerWaalsContact C-N 3.35Å; I614-N616 PolarHBondContact O-N 3.23Å; I614-F617 PolarHBondContact O-N 3.11Å; I614-H618 PolarHBondContact O-CE1 3.35Å; I614-H618 PolarHBondContact O-ND1 3.34Å
615	L	89.5	Confident	87.3	Confident	32 Å²	32	50.8 Å²	50.8	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-38.4	178.7	-70	169	0	0	0	112	L557 F563 W567 V611 D612 F617 H618 T619	L557-L615 HydrophobicContact CD1-CD2 3.64Å; F563-L615 HydrophobicContact CE1-CD1 4.42Å; F563-L615 HydrophobicContact CE1-CD2 4.4Å; W567-L615 HydrophobicContact CD2-CD1 3.84Å; W567-L615 HydrophobicContact CE3-CD1 4.41Å; W567-L615 HydrophobicContact CG-CD1 4.3Å; W567-L615 HydrophobicContact CH2-CD1 4.2Å; W567-L615 HydrophobicContact CZ2-CD1 3.6Å; V611-L615 HydrophobicContact CG1-CD1 3.87Å; V611-L615 HydrophobicContact CG1-CG 4.23Å; V611-L615 WeakPolarHBondContact O-CG 3.35Å; V611-L615 PolarHBondContact O-N 3.07Å; D612-L615 PolarHBondContact O-N 3.41Å; D612-L615 VanDerWaalsContact O-N 3.11Å; L615-F617 PolarHBondContact O-N 3.5Å; L615-H618 WeakPolarHBondContact O-CA 3.45Å; L615-H618 WeakPolarHBondContact O-CB 3.46Å; L615-H618 PolarHBondContact O-N 2.99Å; L615-T619 PolarHBondContact O-N 3.21Å
616	N	87.7	Confident	87	Confident	27 Å²	27	52.4 Å²	52.4	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-20.1	177.8	-75.4	-41.4	0	0	0	114.2	D612 I614 H618 T619 Y639	D612-N616 WeakPolarHBondContact O-CB 3.24Å; D612-N616 PolarHBondContact O-N 2.86Å; D612-N616 PolarHBondContact O-ND2 2.97Å; D612-N616 VanDerWaalsContact O-ND2 3.16Å; D612-N616 PolarHBondContact OD2-ND2 3.08Å; I614-N616 VanDerWaalsContact C-N 3.35Å; I614-N616 PolarHBondContact O-N 3.23Å; N616-H618 VanDerWaalsContact C-N 3.26Å; N616-H618 PolarHBondContact O-N 3.36Å; N616-T619 PolarHBondContact O-OG1 3.31Å; N616-Y639 HydrophobicContact CB-CD1 4.36Å; N616-Y639 HydrophobicContact CB-CD2 4.3Å; N616-Y639 HydrophobicContact CB-CE1 3.82Å; N616-Y639 HydrophobicContact CB-CE2 3.77Å
617	F	90.7	Very high	87	Confident	64 Å²	64	58 Å²	58	28%	0.281	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.8	168.2	-80	-72.5	0	0	0	114.1	V613 I614 L615 A636 Y639 L644	V613-F617 HydrophobicContact CG1-CE2 4.26Å; V613-F617 VanDerWaalsContact O-CD2 3.24Å; V613-F617 WeakPolarHBondContact O-CD2 3.32Å; I614-F617 PolarHBondContact O-N 3.11Å; L615-F617 PolarHBondContact O-N 3.5Å; F617-A636 HydrophobicContact CD1-CB 3.77Å; F617-A636 HydrophobicContact CE1-CB 4.1Å; F617-Y639 AromaticContact CD1-CD1 3.81Å; F617-Y639 HydrophobicContact CD1-CD1 3.81Å; F617-Y639 HydrophobicContact CD1-CE1 4.32Å; F617-Y639 HydrophobicContact CD2-CD1 4.14Å; F617-Y639 AromaticContact CD2-CE1 3.81Å; F617-Y639 HydrophobicContact CD2-CE1 3.81Å; F617-Y639 AromaticContact CE1-CD1 3.72Å; F617-Y639 HydrophobicContact CE1-CD1 3.72Å; F617-Y639 HydrophobicContact CE1-CE1 4.19Å; F617-Y639 HydrophobicContact CE2-CD1 4.06Å; F617-Y639 AromaticContact CE2-CE1 3.66Å; F617-Y639 HydrophobicContact CE2-CE1 3.66Å; F617-Y639 HydrophobicContact CG-CD1 4.02Å; F617-Y639 HydrophobicContact CG-CE1 4.15Å; F617-Y639 AromaticContact CZ-CD1 3.85Å; F617-Y639 HydrophobicContact CZ-CD1 3.85Å; F617-Y639 AromaticContact CZ-CE1 3.86Å; F617-Y639 HydrophobicContact CZ-CE1 3.86Å; F617-L644 HydrophobicContact CE2-CD1 3.91Å; F617-L644 HydrophobicContact CZ-CD1 3.78Å; F617-L644 HydrophobicContact CZ-CD2 3.89Å; F617-L644 HydrophobicContact CZ-CG 4.46Å
618	H	89.7	Confident	86.9	Confident	37 Å²	37	56.5 Å²	56.5	17%	0.171	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-7.8	-175.5	-61.3	88.7	0	0	0	113.6	F555 V556 L557 I614 L615 N616 R632	F555-H618 PolarHBondContact O-CD2 2.95Å; V556-H618 WeakPolarHBondContact CA-O 3.33Å; L557-H618 PolarHBondContact N-O 2.99Å; I614-H618 PolarHBondContact O-CE1 3.35Å; I614-H618 PolarHBondContact O-ND1 3.34Å; L615-H618 WeakPolarHBondContact O-CA 3.45Å; L615-H618 WeakPolarHBondContact O-CB 3.46Å; L615-H618 PolarHBondContact O-N 2.99Å; N616-H618 VanDerWaalsContact C-N 3.26Å; N616-H618 PolarHBondContact O-N 3.36Å; H618-R632 PolarHBondContact CD2-NH2 2.95Å; H618-R632 PolarHBondContact NE2-NE 3.46Å; H618-R632 PolarHBondContact NE2-NH2 3.03Å
619	T	89	Confident	86.8	Confident	18 Å²	18	53.9 Å²	53.9	11%	0.11	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-84.8	133.3	-178.5	48.6	0	0	0	0	112	L557 H564 L615 N616 I635	L557-T619 HydrophobicContact CB-CG2 3.94Å; L557-T619 HydrophobicContact CD1-CG2 4.38Å; L557-T619 CarbonylContact O-C 3.57Å; L557-T619 WeakPolarHBondContact O-CA 3.44Å; H564-T619 VanDerWaalsContact CD2-CG2 3.47Å; H564-T619 WeakPolarHBondContact CD2-CG2 3.48Å; H564-T619 WeakPolarHBondContact NE2-CG2 3.26Å; L615-T619 PolarHBondContact O-N 3.21Å; N616-T619 PolarHBondContact O-OG1 3.31Å; T619-I635 WeakPolarHBondContact O-CG2 3.37Å
620	T	90	Very high	86.8	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.025	30%	0.296	C	S	.	.			trans	-64.8	144.9	174.1	61	0	0	0	0	110.7	V556 L557 L558 H559 I628 V629 N630	V556-T620 HydrophobicContact CG1-CG2 3.48Å; V556-T620 VanDerWaalsContact CG1-CG2 3.48Å; L557-T620 PolarHBondContact O-N 2.93Å; L558-T620 HydrophobicContact CD1-CG2 4.16Å; H559-T620 WeakPolarHBondContact CB-O 3.48Å; H559-T620 PolarHBondContact N-OG1 3.45Å; H559-T620 PolarHBondContact ND1-O 2.88Å; H559-T620 PolarHBondContact ND1-OG1 3.29Å; T620-I628 HydrophobicContact CG2-CG2 4.18Å; T620-V629 WeakPolarHBondContact CA-O 3.23Å; T620-V629 VanDerWaalsContact CB-O 3.28Å; T620-V629 WeakPolarHBondContact CB-O 3.4Å; T620-V629 WeakPolarHBondContact CG2-O 3.42Å; T620-N630 WeakPolarHBondContact CG2-OD1 3.39Å
621	Y	87.4	Confident	86.8	Confident	38 Å²	38	58.1 Å²	58.1	15%	0.149	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	158.8	168.1	76.2	-87.1	0	0	0	111.1	N623 V629 I635 H638	Y621-N623 HydrophobicContact CE2-CB 4.25Å; Y621-V629 HydrophobicContact CD1-CB 4.1Å; Y621-V629 HydrophobicContact CD1-CG1 4.34Å; Y621-V629 HydrophobicContact CE1-CB 3.77Å; Y621-V629 HydrophobicContact CE1-CG1 3.71Å; Y621-V629 HydrophobicContact CE1-CG2 4.08Å; Y621-V629 HydrophobicContact CE2-CG2 4.08Å; Y621-V629 PolarHBondContact O-N 2.94Å; Y621-I635 HydrophobicContact CD1-CG1 4.1Å; Y621-I635 HydrophobicContact CE1-CG1 4.36Å; Y621-H638 HydrophobicContact CD1-CB 4.09Å; Y621-H638 AromaticContact CD2-CD2 3.93Å; Y621-H638 AromaticContact CD2-NE2 3.89Å; Y621-H638 HydrophobicContact CE1-CB 3.6Å; Y621-H638 AromaticContact CE1-CG 3.83Å; Y621-H638 HydrophobicContact CE2-CB 4.48Å; Y621-H638 AromaticContact CE2-CE1 3.92Å; Y621-H638 AromaticContact CE2-CG 3.89Å; Y621-H638 AromaticContact CE2-ND1 3.71Å; Y621-H638 AromaticContact CG-CD2 3.85Å; Y621-H638 AromaticContact CZ-CG 3.75Å; Y621-H638 AromaticContact CZ-ND1 3.85Å
622	V	86.2	Confident	86.7	Confident	73 Å²	73	61.7 Å²	61.7	44%	0.442	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.2	172.9	-175.3	0	0	0	0	108.3	H559	H559-V622 WeakPolarHBondContact CE1-CG2 3.24Å; H559-V622 WeakPolarHBondContact NE2-CG2 3.48Å
623	N	85.2	Confident	86.7	Confident	58 Å²	58	69.5 Å²	69.5	31%	0.31	35%	0.348	S	S	.	.			trans	-72	162.3	176.1	-167.9	10.2	0	0	0	110.6	Y621 N625 G626 Q627 V629	Y621-N623 HydrophobicContact CE2-CB 4.25Å; N623-N625 PolarHBondContact O-N 2.88Å; N623-G626 PolarHBondContact O-N 3.45Å; N623-Q627 PolarHBondContact N-O 3.37Å; N623-V629 HydrophobicContact CB-CG2 4.24Å
624	K	85.5	Confident	86.8	Confident	169 Å²	169	72.2 Å²	72.2	74%	0.735	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-20.2	178.4	-65	-169.1	176.4	-168.9	0	113.9	G626 Q1419	K624-G626 VanDerWaalsContact C-N 3.32Å; K624-Q1419 PolarHBondContact O-NE2 3.47Å
625	N	83.5	Confident	86.9	Confident	122 Å²	122	67.9 Å²	67.9	65%	0.652	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	9.3	178	-56.8	9.2	0	0	0	113.4	N623 Q627	N623-N625 PolarHBondContact O-N 2.88Å; N625-Q627 PolarHBondContact O-N 2.82Å
626	G	78	Confident	87	Confident	36 Å²	36	67.8 Å²	67.8	37%	0.371	34%	0.343	S	S	.	.	S	Bend	trans	75.7	-1	-176.7	0	0	0	0	0	115.1	N623 K624	N623-G626 PolarHBondContact O-N 3.45Å; K624-G626 VanDerWaalsContact C-N 3.32Å
627	Q	82.4	Confident	87.2	Confident	127 Å²	127	74 Å²	74	59%	0.593	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-84.9	135.2	-176.9	-67.7	174	-20.5	0	0	111.8	N623 N625	N623-Q627 PolarHBondContact N-O 3.37Å; N625-Q627 PolarHBondContact O-N 2.82Å
628	I	85.6	Confident	87.1	Confident	51 Å²	51	76 Å²	76	26%	0.262	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.1	175.7	-54.4	169.7	0	0	0	109.1	Y560 T620	Y560-I628 HydrophobicContact CE1-CD1 4.09Å; T620-I628 HydrophobicContact CG2-CG2 4.18Å
629	V	86.4	Confident	87.2	Confident	15 Å²	15	75 Å²	75	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.9	176.8	175.1	0	0	0	0	110.2	T620 Y621 N623 D631 L634 I635	T620-V629 WeakPolarHBondContact CA-O 3.23Å; T620-V629 VanDerWaalsContact CB-O 3.28Å; T620-V629 WeakPolarHBondContact CB-O 3.4Å; T620-V629 WeakPolarHBondContact CG2-O 3.42Å; Y621-V629 HydrophobicContact CD1-CB 4.1Å; Y621-V629 HydrophobicContact CD1-CG1 4.34Å; Y621-V629 HydrophobicContact CE1-CB 3.77Å; Y621-V629 HydrophobicContact CE1-CG1 3.71Å; Y621-V629 HydrophobicContact CE1-CG2 4.08Å; Y621-V629 HydrophobicContact CE2-CG2 4.08Å; Y621-V629 PolarHBondContact O-N 2.94Å; N623-V629 HydrophobicContact CB-CG2 4.24Å; V629-D631 HydrophobicContact CG1-CB 4.44Å; V629-L634 HydrophobicContact CG1-CB 3.94Å; V629-L634 HydrophobicContact CG1-CD2 3.78Å; V629-L634 HydrophobicContact CG1-CG 4.26Å; V629-L634 HydrophobicContact CG2-CD2 4.31Å; V629-I635 HydrophobicContact CG1-CG1 4.27Å
630	N	83.2	Confident	87.2	Confident	55 Å²	55	76.3 Å²	76.3	29%	0.294	39%	0.386	S	S	.	.			trans	-103.1	-9	177.1	-62.5	-19.7	0	0	0	113.4	T620 R632	T620-N630 WeakPolarHBondContact CG2-OD1 3.39Å; N630-R632 PolarHBondContact O-N 3.2Å
631	D	86.1	Confident	87.2	Confident	112 Å²	112	85.2 Å²	85.2	60%	0.599	42%	0.424	S	S	*	.			trans	-75.9	110.1	-174.3	-67.1	-39.7	0	0	0	111.6	V629 H633 L634 I635	V629-D631 HydrophobicContact CG1-CB 4.44Å; D631-H633 PolarHBondContact O-N 3.11Å; D631-H633 VanDerWaalsContact O-N 3.12Å; D631-L634 HydrophobicContact CB-CB 3.99Å; D631-L634 WeakPolarHBondContact O-CA 3.48Å; D631-L634 PolarHBondContact O-N 2.77Å; D631-I635 WeakPolarHBondContact O-CG1 3.37Å; D631-I635 PolarHBondContact O-N 3.28Å
632	R	87.3	Confident	87.1	Confident	132 Å²	132	85.3 Å²	85.3	50%	0.498	44%	0.437	S	S	.	.	H	α-helix	trans	-50.6	-39.1	-177.6	-156.7	-171.6	-160.6	174	7.1	113.4	H618 N630 A636	H618-R632 PolarHBondContact CD2-NH2 2.95Å; H618-R632 PolarHBondContact NE2-NE 3.46Å; H618-R632 PolarHBondContact NE2-NH2 3.03Å; N630-R632 PolarHBondContact O-N 3.2Å; R632-A636 VanDerWaalsContact O-CB 3.27Å; R632-A636 WeakPolarHBondContact O-CB 3.3Å; R632-A636 PolarHBondContact O-N 3.48Å
633	H	89.8	Confident	86.9	Confident	173 Å²	173	86.4 Å²	86.4	80%	0.801	43%	0.433	S	S	*	.	H	α-helix	trans	-69.3	-33.7	176.5	-67.4	-75.4	0	0	0	113.3	D631 K637	D631-H633 PolarHBondContact O-N 3.11Å; D631-H633 VanDerWaalsContact O-N 3.12Å; H633-K637 VanDerWaalsContact O-CB 3.3Å; H633-K637 WeakPolarHBondContact O-CB 3.49Å; H633-K637 PolarHBondContact O-N 3Å
634	L	90	Very high	87	Confident	79 Å²	79	85.5 Å²	85.5	41%	0.414	43%	0.428	S	S	.	.	H	α-helix	trans	-78.4	-38.2	178.2	-155.2	71.6	0	0	0	110.9	V629 D631 K637 H638	V629-L634 HydrophobicContact CG1-CB 3.94Å; V629-L634 HydrophobicContact CG1-CD2 3.78Å; V629-L634 HydrophobicContact CG1-CG 4.26Å; V629-L634 HydrophobicContact CG2-CD2 4.31Å; D631-L634 HydrophobicContact CB-CB 3.99Å; D631-L634 WeakPolarHBondContact O-CA 3.48Å; D631-L634 PolarHBondContact O-N 2.77Å; L634-K637 PolarHBondContact O-N 2.96Å; L634-H638 VanDerWaalsContact O-CB 3.3Å; L634-H638 WeakPolarHBondContact O-CB 3.26Å; L634-H638 PolarHBondContact O-N 2.93Å
635	I	91	Very high	86.9	Confident	4 Å²	4	82.7 Å²	82.7	2%	0.021	42%	0.42	C	S	.	.	H	α-helix	trans	-55.2	-56.3	168.3	-67.6	164.6	0	0	0	110	V556 T619 Y621 V629 D631 K637 H638 Y639	V556-I635 HydrophobicContact CG1-CD1 4.32Å; T619-I635 WeakPolarHBondContact O-CG2 3.37Å; Y621-I635 HydrophobicContact CD1-CG1 4.1Å; Y621-I635 HydrophobicContact CE1-CG1 4.36Å; V629-I635 HydrophobicContact CG1-CG1 4.27Å; D631-I635 WeakPolarHBondContact O-CG1 3.37Å; D631-I635 PolarHBondContact O-N 3.28Å; I635-K637 VanDerWaalsContact C-N 3.35Å; I635-K637 PolarHBondContact O-N 3.33Å; I635-H638 WeakPolarHBondContact O-CB 3.35Å; I635-H638 PolarHBondContact O-N 3.27Å; I635-H638 VanDerWaalsContact O-N 3.1Å; I635-Y639 PolarHBondContact O-N 3.47Å
636	A	91.7	Very high	86.6	Confident	29 Å²	29	80 Å²	80	24%	0.24	41%	0.405	C	S	.	.	H	α-helix	trans	-58.1	-43.9	-180	0	0	0	0	0	112.5	F617 R632 H638 A640	F617-A636 HydrophobicContact CD1-CB 3.77Å; F617-A636 HydrophobicContact CE1-CB 4.1Å; R632-A636 VanDerWaalsContact O-CB 3.27Å; R632-A636 WeakPolarHBondContact O-CB 3.3Å; R632-A636 PolarHBondContact O-N 3.48Å; A636-H638 VanDerWaalsContact C-N 3.34Å; A636-H638 PolarHBondContact O-N 3.11Å; A636-A640 WeakPolarHBondContact O-CB 3.45Å; A636-A640 PolarHBondContact O-N 2.58Å
637	K	91.7	Very high	86.7	Confident	158 Å²	158	78.3 Å²	78.3	69%	0.687	39%	0.387	S	S	*	.	H	α-helix	trans	-66.2	-33.7	176.9	-175.2	171.6	-178.5	172.6	0	113	H633 L634 I635 K641	H633-K637 VanDerWaalsContact O-CB 3.3Å; H633-K637 WeakPolarHBondContact O-CB 3.49Å; H633-K637 PolarHBondContact O-N 3Å; L634-K637 PolarHBondContact O-N 2.96Å; I635-K637 VanDerWaalsContact C-N 3.35Å; I635-K637 PolarHBondContact O-N 3.33Å; K637-K641 WeakPolarHBondContact O-CB 3.45Å; K637-K641 PolarHBondContact O-N 2.87Å
638	H	90.1	Very high	86.6	Confident	105 Å²	105	77.4 Å²	77.4	49%	0.486	39%	0.386	S	S	.	.	H	α-helix	trans	-69.9	-50.4	176.5	-175.1	81.4	0	0	0	111.2	Y621 L634 I635 A636 K641 G642	Y621-H638 HydrophobicContact CD1-CB 4.09Å; Y621-H638 AromaticContact CD2-CD2 3.93Å; Y621-H638 AromaticContact CD2-NE2 3.89Å; Y621-H638 HydrophobicContact CE1-CB 3.6Å; Y621-H638 AromaticContact CE1-CG 3.83Å; Y621-H638 HydrophobicContact CE2-CB 4.48Å; Y621-H638 AromaticContact CE2-CE1 3.92Å; Y621-H638 AromaticContact CE2-CG 3.89Å; Y621-H638 AromaticContact CE2-ND1 3.71Å; Y621-H638 AromaticContact CG-CD2 3.85Å; Y621-H638 AromaticContact CZ-CG 3.75Å; Y621-H638 AromaticContact CZ-ND1 3.85Å; L634-H638 VanDerWaalsContact O-CB 3.3Å; L634-H638 WeakPolarHBondContact O-CB 3.26Å; L634-H638 PolarHBondContact O-N 2.93Å; I635-H638 WeakPolarHBondContact O-CB 3.35Å; I635-H638 PolarHBondContact O-N 3.27Å; I635-H638 VanDerWaalsContact O-N 3.1Å; A636-H638 VanDerWaalsContact C-N 3.34Å; A636-H638 PolarHBondContact O-N 3.11Å; H638-K641 PolarHBondContact O-N 2.99Å; H638-G642 PolarHBondContact O-N 3.45Å
639	Y	90.1	Very high	86.2	Confident	18 Å²	18	79.8 Å²	79.8	7%	0.071	40%	0.399	C	S	.	.	H	α-helix	trans	-63.1	-44.1	178.6	175.6	-127.8	0	0	0	112.4	N616 F617 I635 K641 G642 W643 L644 D647	N616-Y639 HydrophobicContact CB-CD1 4.36Å; N616-Y639 HydrophobicContact CB-CD2 4.3Å; N616-Y639 HydrophobicContact CB-CE1 3.82Å; N616-Y639 HydrophobicContact CB-CE2 3.77Å; F617-Y639 AromaticContact CD1-CD1 3.81Å; F617-Y639 HydrophobicContact CD1-CD1 3.81Å; F617-Y639 HydrophobicContact CD1-CE1 4.32Å; F617-Y639 HydrophobicContact CD2-CD1 4.14Å; F617-Y639 AromaticContact CD2-CE1 3.81Å; F617-Y639 HydrophobicContact CD2-CE1 3.81Å; F617-Y639 AromaticContact CE1-CD1 3.72Å; F617-Y639 HydrophobicContact CE1-CD1 3.72Å; F617-Y639 HydrophobicContact CE1-CE1 4.19Å; F617-Y639 HydrophobicContact CE2-CD1 4.06Å; F617-Y639 AromaticContact CE2-CE1 3.66Å; F617-Y639 HydrophobicContact CE2-CE1 3.66Å; F617-Y639 HydrophobicContact CG-CD1 4.02Å; F617-Y639 HydrophobicContact CG-CE1 4.15Å; F617-Y639 AromaticContact CZ-CD1 3.85Å; F617-Y639 HydrophobicContact CZ-CD1 3.85Å; F617-Y639 AromaticContact CZ-CE1 3.86Å; F617-Y639 HydrophobicContact CZ-CE1 3.86Å; I635-Y639 PolarHBondContact O-N 3.47Å; Y639-K641 VanDerWaalsContact C-N 3.3Å; Y639-K641 PolarHBondContact O-N 3.26Å; Y639-G642 CarbonylContact O-C 3.57Å; Y639-G642 PolarHBondContact O-N 2.89Å; Y639-G642 VanDerWaalsContact O-N 3.11Å; Y639-W643 HydrophobicContact CD2-CB 4.08Å; Y639-W643 HydrophobicContact CE2-CB 3.99Å; Y639-W643 PolarHBondContact O-N 2.71Å; Y639-L644 HydrophobicContact CD1-CB 4.4Å; Y639-L644 HydrophobicContact CD1-CD1 4.42Å; Y639-L644 HydrophobicContact CE1-CB 4.26Å; Y639-L644 HydrophobicContact CE1-CD1 3.72Å; Y639-L644 HydrophobicContact CE2-CB 4.47Å; Y639-L644 PolarHBondContact O-N 3.08Å; Y639-L644 VanDerWaalsContact O-N 3.17Å; Y639-D647 PolarHBondContact OH-OD2 2.88Å
640	A	90.8	Very high	85.6	Confident	44 Å²	44	79.1 Å²	79.1	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-63.7	-29.4	177.9	0	0	0	0	0	114.1	A636 G642 L644	A636-A640 WeakPolarHBondContact O-CB 3.45Å; A636-A640 PolarHBondContact O-N 2.58Å; A640-G642 VanDerWaalsContact C-N 3.33Å; A640-L644 HydrophobicContact CB-CD2 3.86Å
641	K	89.8	Confident	85.3	Confident	192 Å²	192	77.2 Å²	77.2	84%	0.835	39%	0.387	S	S	*	.	H	α-helix	trans	-77.2	-17.9	175.8	-178.7	166.9	179.7	176.7	0	113.3	K637 H638 Y639	K637-K641 WeakPolarHBondContact O-CB 3.45Å; K637-K641 PolarHBondContact O-N 2.87Å; H638-K641 PolarHBondContact O-N 2.99Å; Y639-K641 VanDerWaalsContact C-N 3.3Å; Y639-K641 PolarHBondContact O-N 3.26Å
642	G	83.9	Confident	84.7	Confident	39 Å²	39	75.1 Å²	75.1	40%	0.402	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-98.4	-176.5	0	0	0	0	0	112.4	H638 Y639 A640 L644	H638-G642 PolarHBondContact O-N 3.45Å; Y639-G642 CarbonylContact O-C 3.57Å; Y639-G642 PolarHBondContact O-N 2.89Å; Y639-G642 VanDerWaalsContact O-N 3.11Å; A640-G642 VanDerWaalsContact C-N 3.33Å; G642-L644 VanDerWaalsContact C-N 3.34Å; G642-L644 PolarHBondContact O-N 3.46Å
643	W	83.6	Confident	84.1	Confident	96 Å²	96	70.9 Å²	70.9	36%	0.364	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-16	-163.6	-67.4	103.1	0	0	0	115.7	Y639 I645 L646 D647 A727 R728	Y639-W643 HydrophobicContact CD2-CB 4.08Å; Y639-W643 HydrophobicContact CE2-CB 3.99Å; Y639-W643 PolarHBondContact O-N 2.71Å; W643-I645 VanDerWaalsContact C-N 3.29Å; W643-I645 PolarHBondContact O-N 3.23Å; W643-L646 HydrophobicContact CE3-CD1 3.79Å; W643-L646 HydrophobicContact CZ3-CD1 3.83Å; W643-L646 PolarHBondContact O-N 3.06Å; W643-D647 PolarHBondContact O-N 2.86Å; W643-D647 VanDerWaalsContact O-N 3.14Å; W643-A727 HydrophobicContact CH2-CB 4.12Å; W643-A727 HydrophobicContact CZ3-CB 4.1Å; W643-R728 HydrophobicContact CD2-CG 4.1Å; W643-R728 HydrophobicContact CE3-CG 3.57Å; W643-R728 HydrophobicContact CH2-CG 4.3Å; W643-R728 HydrophobicContact CZ3-CG 3.68Å; W643-R728 PolarHBondContact O-NH2 2.94Å
644	L	86.6	Confident	83.1	Confident	40 Å²	40	63.7 Å²	63.7	21%	0.209	33%	0.333	C	S	.	.	H	α-helix	trans	-56.1	-40.5	-177.6	178.2	62.9	0	0	0	113.2	V613 F617 Y639 A640 G642 L646 D647 L648	V613-L644 HydrophobicContact CG1-CD1 4.12Å; F617-L644 HydrophobicContact CE2-CD1 3.91Å; F617-L644 HydrophobicContact CZ-CD1 3.78Å; F617-L644 HydrophobicContact CZ-CD2 3.89Å; F617-L644 HydrophobicContact CZ-CG 4.46Å; Y639-L644 HydrophobicContact CD1-CB 4.4Å; Y639-L644 HydrophobicContact CD1-CD1 4.42Å; Y639-L644 HydrophobicContact CE1-CB 4.26Å; Y639-L644 HydrophobicContact CE1-CD1 3.72Å; Y639-L644 HydrophobicContact CE2-CB 4.47Å; Y639-L644 PolarHBondContact O-N 3.08Å; Y639-L644 VanDerWaalsContact O-N 3.17Å; A640-L644 HydrophobicContact CB-CD2 3.86Å; G642-L644 VanDerWaalsContact C-N 3.34Å; G642-L644 PolarHBondContact O-N 3.46Å; L644-L646 PolarHBondContact O-N 2.63Å; L644-D647 PolarHBondContact O-N 2.81Å; L644-D647 VanDerWaalsContact O-N 3.16Å; L644-L648 WeakPolarHBondContact O-CB 3.28Å; L644-L648 PolarHBondContact O-N 2.93Å
645	I	82.8	Confident	82.1	Confident	110 Å²	110	61.3 Å²	61.3	56%	0.564	32%	0.321	S	S	*	.	H	α-helix	trans	-62.6	-47.4	-177.1	-59.2	173.4	0	0	0	110.8	W643 D647 L648 L649	W643-I645 VanDerWaalsContact C-N 3.29Å; W643-I645 PolarHBondContact O-N 3.23Å; I645-D647 PolarHBondContact O-N 2.88Å; I645-L648 PolarHBondContact O-N 2.77Å; I645-L649 HydrophobicContact CG2-CD1 4.31Å; I645-L649 WeakPolarHBondContact O-CG 3.48Å; I645-L649 PolarHBondContact O-N 2.85Å; I645-L649 VanDerWaalsContact O-N 3.17Å
646	L	78.4	Confident	81	Confident	65 Å²	65	65.9 Å²	65.9	34%	0.34	34%	0.341	S	S	.	.	H	α-helix	trans	-66.3	-26.9	177.7	-66.6	174.3	0	0	0	112.4	W643 L644 A650 L724	W643-L646 HydrophobicContact CE3-CD1 3.79Å; W643-L646 HydrophobicContact CZ3-CD1 3.83Å; W643-L646 PolarHBondContact O-N 3.06Å; L644-L646 PolarHBondContact O-N 2.63Å; L646-A650 VanDerWaalsContact O-CB 3.23Å; L646-A650 WeakPolarHBondContact O-CB 3.34Å; L646-A650 PolarHBondContact O-N 3.46Å; L646-L724 HydrophobicContact CD2-CD1 4.4Å
647	D	80.4	Confident	80	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-79.1	-41	177.8	-118.7	-17.3	0	0	0	112.2	V613 Y639 W643 L644 I645 A650 A651 R725 R728	V613-D647 HydrophobicContact CG2-CB 3.78Å; Y639-D647 PolarHBondContact OH-OD2 2.88Å; W643-D647 PolarHBondContact O-N 2.86Å; W643-D647 VanDerWaalsContact O-N 3.14Å; L644-D647 PolarHBondContact O-N 2.81Å; L644-D647 VanDerWaalsContact O-N 3.16Å; I645-D647 PolarHBondContact O-N 2.88Å; D647-A650 CarbonylContact O-C 3.59Å; D647-A650 PolarHBondContact O-N 2.79Å; D647-A651 VanDerWaalsContact O-CB 3.22Å; D647-A651 WeakPolarHBondContact O-CB 3.49Å; D647-A651 PolarHBondContact O-N 2.94Å; D647-R725 PolarHBondContact O-NH2 2.84Å; D647-R725 IonicContact OD1-CZ 2.86Å; D647-R725 IonicContact OD1-NE 2.7Å; D647-R725 PolarHBondContact OD1-NE 2.98Å; D647-R725 IonicContact OD1-NH2 3.24Å; D647-R725 PolarHBondContact OD1-NH2 3.42Å; D647-R728 VanDerWaalsContact CG-NH1 3.28Å; D647-R728 IonicContact OD1-CZ 2.63Å; D647-R728 IonicContact OD1-NE 2.65Å; D647-R728 IonicContact OD1-NH1 3.52Å; D647-R728 IonicContact OD1-NH2 2.71Å; D647-R728 PolarHBondContact OD1-NH2 3.12Å; D647-R728 IonicContact OD2-CZ 3.6Å; D647-R728 IonicContact OD2-NE 2.77Å; D647-R728 IonicContact OD2-NH1 2.8Å; D647-R728 PolarHBondContact OD2-NH1 3.46Å; D647-R728 IonicContact OD2-NH2 3.18Å; D647-R728 PolarHBondContact OD2-NH2 2.79Å
648	L	80.3	Confident	78.7	Confident	109 Å²	109	62.5 Å²	62.5	57%	0.571	33%	0.325	S	S	*	.	H	α-helix	trans	-64	-46.2	178.9	-172.6	64.3	0	0	0	110.7	L644 I645 A650 A651 L652	L644-L648 WeakPolarHBondContact O-CB 3.28Å; L644-L648 PolarHBondContact O-N 2.93Å; I645-L648 PolarHBondContact O-N 2.77Å; L648-A650 VanDerWaalsContact C-N 3.32Å; L648-A650 PolarHBondContact O-N 2.9Å; L648-A651 CarbonylContact O-C 3.59Å; L648-A651 PolarHBondContact O-N 2.93Å; L648-A651 VanDerWaalsContact O-N 3.08Å; L648-L652 PolarHBondContact O-N 2.82Å
649	L	76	Confident	77.5	Confident	100 Å²	100	60.8 Å²	60.8	52%	0.524	32%	0.319	S	S	.	.	H	α-helix	trans	-57.1	-44.8	173.2	-71.3	170.4	0	0	0	111.9	I645 A651 L652	I645-L649 HydrophobicContact CG2-CD1 4.31Å; I645-L649 WeakPolarHBondContact O-CG 3.48Å; I645-L649 PolarHBondContact O-N 2.85Å; I645-L649 VanDerWaalsContact O-N 3.17Å; L649-A651 VanDerWaalsContact C-N 3.26Å; L649-A651 PolarHBondContact O-N 3.4Å; L649-L652 HydrophobicContact CD2-CD1 4.28Å; L649-L652 WeakPolarHBondContact O-CB 3.41Å; L649-L652 WeakPolarHBondContact O-CG 3.42Å; L649-L652 PolarHBondContact O-N 3.36Å
650	A	74.5	Confident	76.5	Confident	2 Å²	2	64.6 Å²	64.6	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-76.7	-9.3	178.8	0	0	0	0	0	113.6	L646 D647 L648 R725	L646-A650 VanDerWaalsContact O-CB 3.23Å; L646-A650 WeakPolarHBondContact O-CB 3.34Å; L646-A650 PolarHBondContact O-N 3.46Å; D647-A650 CarbonylContact O-C 3.59Å; D647-A650 PolarHBondContact O-N 2.79Å; L648-A650 VanDerWaalsContact C-N 3.32Å; L648-A650 PolarHBondContact O-N 2.9Å; A650-R725 VanDerWaalsContact C-NH1 3.32Å; A650-R725 HydrophobicContact CB-CG 4.18Å; A650-R725 VanDerWaalsContact CB-CZ 3.43Å; A650-R725 VanDerWaalsContact CB-NH1 3.28Å; A650-R725 PolarHBondContact O-NH1 3.46Å; A650-R725 PolarHBondContact O-NH2 3.01Å
651	A	76.4	Confident	75.2	Confident	15 Å²	15	66 Å²	66	12%	0.124	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	2.2	173.8	0	0	0	0	0	112.8	I610 V613 D647 L648 L649 P653	I610-A651 HydrophobicContact CG1-CB 4.4Å; V613-A651 HydrophobicContact CG2-CB 4.46Å; D647-A651 VanDerWaalsContact O-CB 3.22Å; D647-A651 WeakPolarHBondContact O-CB 3.49Å; D647-A651 PolarHBondContact O-N 2.94Å; L648-A651 CarbonylContact O-C 3.59Å; L648-A651 PolarHBondContact O-N 2.93Å; L648-A651 VanDerWaalsContact O-N 3.08Å; L649-A651 VanDerWaalsContact C-N 3.26Å; L649-A651 PolarHBondContact O-N 3.4Å; A651-P653 WeakPolarHBondContact O-CD 3.49Å
652	L	73.1	Confident	73.8	Confident	67 Å²	67	61.2 Å²	61.2	35%	0.351	33%	0.326	S	S	.	.			trans	-63.9	123.9	176.4	-69.5	176.9	0	0	0	110.5	L648 L649 V654 R722	L648-L652 PolarHBondContact O-N 2.82Å; L649-L652 HydrophobicContact CD2-CD1 4.28Å; L649-L652 WeakPolarHBondContact O-CB 3.41Å; L649-L652 WeakPolarHBondContact O-CG 3.42Å; L649-L652 PolarHBondContact O-N 3.36Å; L652-V654 VanDerWaalsContact C-N 3.29Å; L652-V654 HydrophobicContact CB-CG2 4.36Å; L652-V654 PolarHBondContact O-N 3.07Å; L652-R722 PolarHBondContact O-NH2 3.22Å
653	P	75.2	Confident	72.7	Confident	43 Å²	43	64.4 Å²	64.4	28%	0.279	33%	0.332	S	S	.	.			trans	-83.7	74.9	178.7	35.2	-35	0	0	0	109.4	E606 A651 D655 F656 I657	E606-P653 WeakPolarHBondContact OE2-CA 3.46Å; E606-P653 VanDerWaalsContact OE2-CB 3.22Å; E606-P653 WeakPolarHBondContact OE2-CB 3.28Å; A651-P653 WeakPolarHBondContact O-CD 3.49Å; P653-D655 PolarHBondContact O-N 3.31Å; P653-F656 HydrophobicContact CB-CB 4.09Å; P653-F656 HydrophobicContact CB-CD2 3.85Å; P653-F656 HydrophobicContact CB-CG 4.34Å; P653-F656 HydrophobicContact CG-CB 4.34Å; P653-F656 WeakPolarHBondContact O-CB 3.36Å; P653-F656 PolarHBondContact O-N 3.07Å; P653-I657 PolarHBondContact O-N 3.16Å
654	V	69.7	Low	71.6	Confident	23 Å²	23	62.5 Å²	62.5	14%	0.139	33%	0.331	C	S	.	.	H	α-helix	trans	-58.8	-33.7	-172.4	-177.4	0	0	0	0	111.9	L652 I657 L658 L715	L652-V654 VanDerWaalsContact C-N 3.29Å; L652-V654 HydrophobicContact CB-CG2 4.36Å; L652-V654 PolarHBondContact O-N 3.07Å; V654-I657 PolarHBondContact O-N 3.23Å; V654-L658 WeakPolarHBondContact O-CB 3.38Å; V654-L658 PolarHBondContact O-N 3.28Å; V654-L715 HydrophobicContact CG1-CB 4.18Å
655	D	67.2	Low	70.1	Confident	28 Å²	28	64.3 Å²	64.3	15%	0.15	35%	0.347	C	S	.	.	H	α-helix	trans	-67.2	-38	175.9	-60.6	-55.6	0	0	0	112.2	P653 L658 I659 K719	P653-D655 PolarHBondContact O-N 3.31Å; D655-L658 PolarHBondContact O-N 2.79Å; D655-I659 WeakPolarHBondContact O-CB 3.31Å; D655-I659 WeakPolarHBondContact O-CD1 3.31Å; D655-I659 WeakPolarHBondContact O-CG1 3.34Å; D655-I659 PolarHBondContact O-N 2.74Å; D655-K719 WeakPolarHBondContact OD1-CE 3.3Å; D655-K719 IonicContact OD1-NZ 2.72Å; D655-K719 PolarHBondContact OD1-NZ 3.33Å; D655-K719 WeakPolarHBondContact OD2-CE 3.49Å; D655-K719 IonicContact OD2-NZ 2.94Å; D655-K719 PolarHBondContact OD2-NZ 3.42Å
656	F	69.7	Low	68.6	Low	100 Å²	100	66.5 Å²	66.5	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-67	-38.3	172.5	-78	-96	0	0	0	111.6	L603 P653 L658 I659 I660	L603-F656 HydrophobicContact CD1-CE2 3.66Å; L603-F656 HydrophobicContact CD1-CZ 3.71Å; P653-F656 HydrophobicContact CB-CB 4.09Å; P653-F656 HydrophobicContact CB-CD2 3.85Å; P653-F656 HydrophobicContact CB-CG 4.34Å; P653-F656 HydrophobicContact CG-CB 4.34Å; P653-F656 WeakPolarHBondContact O-CB 3.36Å; P653-F656 PolarHBondContact O-N 3.07Å; F656-L658 VanDerWaalsContact C-N 3.35Å; F656-I659 PolarHBondContact O-N 2.98Å; F656-I660 WeakPolarHBondContact O-CB 3.21Å; F656-I660 WeakPolarHBondContact O-CD1 3.47Å; F656-I660 WeakPolarHBondContact O-CG1 3.48Å; F656-I660 PolarHBondContact O-N 3.21Å
657	I	69.4	Low	67.4	Low	84 Å²	84	68.6 Å²	68.6	43%	0.431	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-44.8	175.3	-63.5	169.1	0	0	0	109.9	P653 V654 I660 C661	P653-I657 PolarHBondContact O-N 3.16Å; V654-I657 PolarHBondContact O-N 3.23Å; I657-I660 PolarHBondContact O-N 2.79Å; I657-C661 WeakPolarHBondContact O-CB 3.43Å; I657-C661 PolarHBondContact O-N 3.4Å; I657-C661 PolarHBondContact O-SG 2.84Å
658	L	63.9	Low	65.6	Low	33 Å²	33	74.3 Å²	74.3	17%	0.173	40%	0.398	C	S	.	.	H	α-helix	trans	-61.7	-48.9	176.2	-179.2	68.3	0	0	0	112.2	V654 D655 F656 C661 Q662 I712	V654-L658 WeakPolarHBondContact O-CB 3.38Å; V654-L658 PolarHBondContact O-N 3.28Å; D655-L658 PolarHBondContact O-N 2.79Å; F656-L658 VanDerWaalsContact C-N 3.35Å; L658-C661 PolarHBondContact O-N 3Å; L658-Q662 WeakPolarHBondContact O-CG 3.39Å; L658-Q662 PolarHBondContact O-N 3.34Å; L658-I712 HydrophobicContact CD1-CB 4.47Å; L658-I712 HydrophobicContact CD1-CD1 4.35Å; L658-I712 HydrophobicContact CD1-CG1 3.97Å; L658-I712 HydrophobicContact CD1-CG2 4.07Å; L658-I712 HydrophobicContact CD2-CG2 3.76Å
659	I	65.7	Low	63.8	Low	68 Å²	68	74.1 Å²	74.1	35%	0.349	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-42.5	177.9	-69.2	163.9	0	0	0	110.5	D655 F656 Q662 M663	D655-I659 WeakPolarHBondContact O-CB 3.31Å; D655-I659 WeakPolarHBondContact O-CD1 3.31Å; D655-I659 WeakPolarHBondContact O-CG1 3.34Å; D655-I659 PolarHBondContact O-N 2.74Å; F656-I659 PolarHBondContact O-N 2.98Å; I659-Q662 PolarHBondContact O-N 2.83Å; I659-M663 HydrophobicContact CG2-CE 4.45Å; I659-M663 HydrophobicContact CG2-CG 4.15Å; I659-M663 WeakPolarHBondContact O-CB 3.49Å; I659-M663 WeakPolarHBondContact O-CG 3.35Å; I659-M663 PolarHBondContact O-N 2.63Å
660	I	68.6	Low	62.6	Low	99 Å²	99	76.7 Å²	76.7	51%	0.508	41%	0.406	S	S	.	.	H	α-helix	trans	-64.9	-42	177	-71.5	165.8	0	0	0	110.5	F656 I657 Q662 M663 T664	F656-I660 WeakPolarHBondContact O-CB 3.21Å; F656-I660 WeakPolarHBondContact O-CD1 3.47Å; F656-I660 WeakPolarHBondContact O-CG1 3.48Å; F656-I660 PolarHBondContact O-N 3.21Å; I657-I660 PolarHBondContact O-N 2.79Å; I660-Q662 PolarHBondContact O-N 2.56Å; I660-M663 PolarHBondContact O-N 3.5Å; I660-T664 VanDerWaalsContact O-CB 3.27Å; I660-T664 WeakPolarHBondContact O-CB 3.19Å; I660-T664 PolarHBondContact O-N 2.83Å; I660-T664 PolarHBondContact O-OG1 3.17Å
661	C	63.5	Low	61.2	Low	73 Å²	73	84.2 Å²	84.2	49%	0.493	45%	0.446	S	S	.	.	H	α-helix	trans	-59.2	-45.6	173.6	-73.2	0	0	0	0	111.8	I657 L658 T664 S665	I657-C661 WeakPolarHBondContact O-CB 3.43Å; I657-C661 PolarHBondContact O-N 3.4Å; I657-C661 PolarHBondContact O-SG 2.84Å; L658-C661 PolarHBondContact O-N 3Å; C661-T664 PolarHBondContact O-N 3.45Å; C661-S665 PolarHBondContact O-N 3.22Å
662	Q	61	Low	59.8	Low	92 Å²	92	87.3 Å²	87.3	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-61.6	-47.2	175.8	-72	173.3	-19.3	0	0	111.9	L658 I659 I660 T664 S665 M666	L658-Q662 WeakPolarHBondContact O-CG 3.39Å; L658-Q662 PolarHBondContact O-N 3.34Å; I659-Q662 PolarHBondContact O-N 2.83Å; I660-Q662 PolarHBondContact O-N 2.56Å; Q662-T664 VanDerWaalsContact C-N 3.33Å; Q662-T664 PolarHBondContact O-N 2.65Å; Q662-S665 PolarHBondContact O-N 2.9Å; Q662-S665 PolarHBondContact O-OG 3.48Å; Q662-M666 WeakPolarHBondContact O-CG 3.47Å; Q662-M666 PolarHBondContact O-N 3.32Å
663	M	60.9	Low	58.1	Low	106 Å²	106	91.9 Å²	91.9	52%	0.522	49%	0.488	S	S	.	.	H	α-helix	trans	-67.1	-32.5	177.7	-65	-64.2	160.3	0	0	112.4	I659 I660 S665 M666 I667	I659-M663 HydrophobicContact CG2-CE 4.45Å; I659-M663 HydrophobicContact CG2-CG 4.15Å; I659-M663 WeakPolarHBondContact O-CB 3.49Å; I659-M663 WeakPolarHBondContact O-CG 3.35Å; I659-M663 PolarHBondContact O-N 2.63Å; I660-M663 PolarHBondContact O-N 3.5Å; M663-S665 VanDerWaalsContact C-N 3.33Å; M663-M666 WeakPolarHBondContact O-CB 3.42Å; M663-M666 PolarHBondContact O-N 3.29Å; M663-M666 VanDerWaalsContact O-N 3.12Å; M663-I667 VanDerWaalsContact O-CG1 3.31Å; M663-I667 WeakPolarHBondContact O-CG1 3.24Å; M663-I667 PolarHBondContact O-N 2.95Å
664	T	60.2	Low	56.7	Low	55 Å²	55	96 Å²	96	34%	0.337	51%	0.506	S	S	.	.	H	α-helix	trans	-71.8	-28.9	175.5	-49.8	0	0	0	0	111.4	I660 C661 Q662 M666 L669	I660-T664 VanDerWaalsContact O-CB 3.27Å; I660-T664 WeakPolarHBondContact O-CB 3.19Å; I660-T664 PolarHBondContact O-N 2.83Å; I660-T664 PolarHBondContact O-OG1 3.17Å; C661-T664 PolarHBondContact O-N 3.45Å; Q662-T664 VanDerWaalsContact C-N 3.33Å; Q662-T664 PolarHBondContact O-N 2.65Å; T664-M666 VanDerWaalsContact C-N 3.29Å; T664-L669 HydrophobicContact CG2-CD1 4.18Å
665	S	55.1	Low	55.4	Low	79 Å²	79	102.9 Å²	102.9	55%	0.552	54%	0.537	S	S	*	.	H	α-helix	trans	-72.6	-19.6	168.5	68.1	0	0	0	0	114	C661 Q662 M663	C661-S665 PolarHBondContact O-N 3.22Å; Q662-S665 PolarHBondContact O-N 2.9Å; Q662-S665 PolarHBondContact O-OG 3.48Å; M663-S665 VanDerWaalsContact C-N 3.33Å
666	M	50.6	Low	54.3	Low	156 Å²	156	104.8 Å²	104.8	77%	0.768	55%	0.549	S	S	*	.	H	α-helix	trans	-88.3	-28.7	174.2	-66.7	-83.2	-73	0	0	112.7	Q662 M663 T664 N668	Q662-M666 WeakPolarHBondContact O-CG 3.47Å; Q662-M666 PolarHBondContact O-N 3.32Å; M663-M666 WeakPolarHBondContact O-CB 3.42Å; M663-M666 PolarHBondContact O-N 3.29Å; M663-M666 VanDerWaalsContact O-N 3.12Å; T664-M666 VanDerWaalsContact C-N 3.29Å; M666-N668 PolarHBondContact O-N 3.07Å
667	I	55.1	Low	53.1	Low	109 Å²	109	105.7 Å²	105.7	56%	0.559	56%	0.559	S	S	*	*	S	Bend	trans	-85	103.2	178.2	-64.8	164.4	0	0	0	108.7	M663 L669	M663-I667 VanDerWaalsContact O-CG1 3.31Å; M663-I667 WeakPolarHBondContact O-CG1 3.24Å; M663-I667 PolarHBondContact O-N 2.95Å; I667-L669 VanDerWaalsContact C-N 3.34Å; I667-L669 HydrophobicContact CG2-CG 4.4Å; I667-L669 PolarHBondContact O-N 3.24Å
668	N	40.9	Very low	52	Low	120 Å²	120	108.7 Å²	108.7	64%	0.642	57%	0.569	S	S	*	*			trans	-64.4	82.3	-176	-175.7	17.2	0	0	0	113.2	M666 Q670	M666-N668 PolarHBondContact O-N 3.07Å; N668-Q670 PolarHBondContact ND2-OE1 2.85Å; N668-Q670 PolarHBondContact O-N 2.96Å; N668-Q670 VanDerWaalsContact OD1-CG 3.29Å; N668-Q670 WeakPolarHBondContact OD1-CG 3.42Å; N668-Q670 PolarHBondContact OD1-OE1 3.47Å
669	L	43.6	Very low	51.1	Low	104 Å²	104	111.6 Å²	111.6	55%	0.545	58%	0.584	S	S	.	*			trans	-77.7	48.3	179.5	-86	168.6	0	0	0	113.5	T664 I667 N671 V672	T664-L669 HydrophobicContact CG2-CD1 4.18Å; I667-L669 VanDerWaalsContact C-N 3.34Å; I667-L669 HydrophobicContact CG2-CG 4.4Å; I667-L669 PolarHBondContact O-N 3.24Å; L669-N671 PolarHBondContact O-N 3.04Å; L669-V672 HydrophobicContact CD2-CB 4.23Å; L669-V672 HydrophobicContact CD2-CG2 3.73Å
670	Q	50.6	Low	50	Low	154 Å²	154	114 Å²	114	72%	0.72	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-3.4	177.6	-101	173.6	-32.7	0	0	115.5	N668	N668-Q670 PolarHBondContact ND2-OE1 2.85Å; N668-Q670 PolarHBondContact O-N 2.96Å; N668-Q670 VanDerWaalsContact OD1-CG 3.29Å; N668-Q670 WeakPolarHBondContact OD1-CG 3.42Å; N668-Q670 PolarHBondContact OD1-OE1 3.47Å
671	N	44.8	Very low	48.7	Very low	161 Å²	161	117 Å²	117	86%	0.861	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.9	15.2	-170.8	-79.6	-41.7	0	0	0	115.6	L669	L669-N671 PolarHBondContact O-N 3.04Å
672	V	46.8	Very low	47.6	Very low	80 Å²	80	116.5 Å²	116.5	49%	0.485	60%	0.595	S	S	.	*			trans	-121	97.1	176.2	-178	0	0	0	0	111.3	L669 I674	L669-V672 HydrophobicContact CD2-CB 4.23Å; L669-V672 HydrophobicContact CD2-CG2 3.73Å; V672-I674 HydrophobicContact CG1-CB 4.3Å; V672-I674 HydrophobicContact CG1-CD1 4.2Å; V672-I674 HydrophobicContact CG1-CG1 4.14Å; V672-I674 PolarHBondContact O-N 3.04Å
673	N	38.3	Very low	46.6	Very low	162 Å²	162	115.7 Å²	115.7	87%	0.866	59%	0.593	S	S	*	*			trans	-84.5	54.3	-169.5	-146.5	-0.7	0	0	0	112.6
674	I	46.2	Very low	45.3	Very low	130 Å²	130	119.3 Å²	119.3	67%	0.667	60%	0.603	S	S	*	*	S	Bend	trans	-132.6	106	-172.6	-54	-179.8	0	0	0	110.9	V672	V672-I674 HydrophobicContact CG1-CB 4.3Å; V672-I674 HydrophobicContact CG1-CD1 4.2Å; V672-I674 HydrophobicContact CG1-CG1 4.14Å; V672-I674 PolarHBondContact O-N 3.04Å
675	H	41.5	Very low	44.3	Very low	168 Å²	168	120.6 Å²	120.6	78%	0.778	61%	0.61	S	S	*	*			trans	63.9	36.9	166.3	-101.5	-78	0	0	0	118.5	N677	H675-N677 VanDerWaalsContact C-N 3.3Å; H675-N677 PolarHBondContact O-N 3.45Å
676	T	44.4	Very low	43.3	Very low	67 Å²	67	121.4 Å²	121.4	41%	0.411	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-52.9	-35.2	177.3	47.7	0	0	0	0	115.7	F678 I679 E680	T676-F678 PolarHBondContact O-N 2.86Å; T676-I679 PolarHBondContact O-N 3.5Å; T676-E680 PolarHBondContact O-N 2.9Å
677	N	43.8	Very low	42.5	Very low	119 Å²	119	118.5 Å²	118.5	64%	0.636	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-54.1	-17	-170.7	-63.8	8.2	0	0	0	116.8	H675	H675-N677 VanDerWaalsContact C-N 3.3Å; H675-N677 PolarHBondContact O-N 3.45Å
678	F	45.7	Very low	41.4	Very low	148 Å²	148	117.2 Å²	117.2	65%	0.649	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-91	-33.4	176.3	-167.3	-102.8	0	0	0	112.8	T676 L682	T676-F678 PolarHBondContact O-N 2.86Å; F678-L682 HydrophobicContact CD1-CD1 3.95Å; F678-L682 HydrophobicContact CE1-CD1 3.69Å; F678-L682 HydrophobicContact CZ-CD1 4.45Å; F678-L682 PolarHBondContact O-N 3.29Å
679	I	45.5	Very low	41	Very low	94 Å²	94	116.7 Å²	116.7	48%	0.482	60%	0.595	S	S	.	*	H	α-helix	trans	-79.7	-38.7	-177.2	-62.2	178.3	0	0	0	110.5	T676 K681 L682 N683	T676-I679 PolarHBondContact O-N 3.5Å; I679-K681 VanDerWaalsContact C-N 3.29Å; I679-K681 PolarHBondContact O-N 3.18Å; I679-L682 PolarHBondContact O-N 2.94Å; I679-L682 VanDerWaalsContact O-N 3.1Å; I679-N683 PolarHBondContact O-N 3.36Å
680	E	42.8	Very low	40.4	Very low	118 Å²	118	118.5 Å²	118.5	55%	0.551	61%	0.605	S	S	*	*	H	α-helix	trans	-59.2	-40.4	173.5	-68.8	-178.6	125.5	0	0	112	T676 L682 N683 Y684	T676-E680 PolarHBondContact O-N 2.9Å; E680-L682 VanDerWaalsContact C-N 3.29Å; E680-L682 PolarHBondContact O-N 3.22Å; E680-N683 PolarHBondContact O-N 3.37Å; E680-Y684 PolarHBondContact O-N 3.28Å
681	K	42.4	Very low	39.4	Very low	162 Å²	162	117.8 Å²	117.8	70%	0.704	61%	0.606	S	S	*	*	H	α-helix	trans	-65.6	-27.8	175.8	-80.2	-169.8	172.5	-173	0	114	I679	I679-K681 VanDerWaalsContact C-N 3.29Å; I679-K681 PolarHBondContact O-N 3.18Å
682	L	40.5	Very low	38.8	Very low	62 Å²	62	116.3 Å²	116.3	33%	0.325	60%	0.603	S	S	.	*	H	α-helix	trans	-79.6	-35.6	174.1	-72.9	168.2	0	0	0	111.8	F678 I679 E680 L711	F678-L682 HydrophobicContact CD1-CD1 3.95Å; F678-L682 HydrophobicContact CE1-CD1 3.69Å; F678-L682 HydrophobicContact CZ-CD1 4.45Å; F678-L682 PolarHBondContact O-N 3.29Å; I679-L682 PolarHBondContact O-N 2.94Å; I679-L682 VanDerWaalsContact O-N 3.1Å; E680-L682 VanDerWaalsContact C-N 3.29Å; E680-L682 PolarHBondContact O-N 3.22Å; L682-L711 HydrophobicContact CD2-CD2 3.55Å
683	N	38.2	Very low	38.1	Very low	75 Å²	75	120.4 Å²	120.4	40%	0.401	62%	0.617	S	S	.	*	H	α-helix	trans	-73	-35.7	177.2	-75.6	-9.6	0	0	0	112.8	I679 E680 V685 N686 V687	I679-N683 PolarHBondContact O-N 3.36Å; E680-N683 PolarHBondContact O-N 3.37Å; N683-V685 PolarHBondContact O-N 2.65Å; N683-N686 PolarHBondContact O-N 2.99Å; N683-V687 PolarHBondContact O-N 2.88Å
684	Y	34.8	Very low	37.8	Very low	182 Å²	182	120.8 Å²	120.8	71%	0.714	62%	0.618	S	S	*	*	H	α-helix	trans	-57.1	-36.4	178.8	-128.1	-84	0	0	0	112.9	E680 N686 V687 S688	E680-Y684 PolarHBondContact O-N 3.28Å; Y684-N686 VanDerWaalsContact C-N 3.3Å; Y684-N686 PolarHBondContact O-N 3.12Å; Y684-V687 PolarHBondContact O-N 3.17Å; Y684-S688 PolarHBondContact O-N 3.14Å
685	V	38	Very low	37	Very low	83 Å²	83	124.9 Å²	124.9	50%	0.503	63%	0.627	S	S	.	*	H	α-helix	trans	-67.3	-27.4	178.9	176.5	0	0	0	0	112.6	N683	N683-V685 PolarHBondContact O-N 2.65Å
686	N	34.5	Very low	36.6	Very low	96 Å²	96	125 Å²	125	51%	0.513	63%	0.633	S	S	.	*	H	α-helix	trans	-85.5	-9.4	177.4	-69.5	-29.9	0	0	0	113.4	N683 Y684	N683-N686 PolarHBondContact O-N 2.99Å; Y684-N686 VanDerWaalsContact C-N 3.3Å; Y684-N686 PolarHBondContact O-N 3.12Å
687	V	34.1	Very low	36.1	Very low	94 Å²	94	124.1 Å²	124.1	57%	0.57	64%	0.638	S	S	*	*	H	α-helix	trans	-104	-34.5	-177	177.3	0	0	0	0	111.8	N683 Y684 M689	N683-V687 PolarHBondContact O-N 2.88Å; Y684-V687 PolarHBondContact O-N 3.17Å; V687-M689 PolarHBondContact O-N 3.27Å
688	S	31.7	Very low	35.5	Very low	83 Å²	83	126.5 Å²	126.5	58%	0.58	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	36.2	-174	71.2	0	0	0	0	115.5	Y684	Y684-S688 PolarHBondContact O-N 3.14Å
689	M	33.2	Very low	34.9	Very low	109 Å²	109	125.1 Å²	125.1	54%	0.537	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.3	-0.4	179.1	-89.9	-174.4	169.6	0	0	115.2	V687 N708	V687-M689 PolarHBondContact O-N 3.27Å; M689-N708 HydrophobicContact CE-CB 3.89Å; M689-N708 VanDerWaalsContact CE-CG 3.42Å; M689-N708 HydrophobicContact SD-CB 3.93Å; M689-N708 PolarHBondContact SD-ND2 3.09Å
690	N	31.5	Very low	34.2	Very low	141 Å²	141	130.7 Å²	130.7	75%	0.754	67%	0.671	S	S	*	*	S	Bend	trans	-96.7	-15.6	174.4	-73.7	-14.4	0	0	0	113.9
691	D	29.3	Very low	33.9	Very low	140 Å²	140	132.5 Å²	132.5	75%	0.749	67%	0.674	S	S	*	*			trans	-106.1	64.5	-169.3	-66.8	-43.9	0	0	0	113.6
692	T	32.4	Very low	33.4	Very low	129 Å²	129	130.1 Å²	130.1	79%	0.791	67%	0.665	S	S	*	*			trans	-130.2	61	160.9	57.5	0	0	0	0	111.2	L694	T692-L694 VanDerWaalsContact C-N 3.34Å; T692-L694 PolarHBondContact O-N 3.49Å
693	Q	31.6	Very low	33.2	Very low	166 Å²	166	133.6 Å²	133.6	78%	0.776	68%	0.683	S	S	*	*			trans	-75.5	87.7	166.1	-67.3	-156.8	13.6	0	0	110.2	Y695	Q693-Y695 PolarHBondContact O-N 3.26Å
694	L	31.6	Very low	33.2	Very low	170 Å²	170	137.5 Å²	137.5	89%	0.89	69%	0.691	S	S	*	*			trans	-72.2	112	162.5	-97.7	162.6	0	0	0	108.7	T692 D696	T692-L694 VanDerWaalsContact C-N 3.34Å; T692-L694 PolarHBondContact O-N 3.49Å; L694-D696 PolarHBondContact O-N 3.27Å
695	Y	29.5	Very low	33.4	Very low	216 Å²	216	134 Å²	134	85%	0.847	69%	0.692	S	S	*	*			trans	-69.1	111.4	172.3	-91.8	-109.8	0	0	0	110	Q693	Q693-Y695 PolarHBondContact O-N 3.26Å
696	D	33.7	Very low	33.6	Very low	170 Å²	170	134.2 Å²	134.2	91%	0.909	69%	0.689	S	S	*	*			trans	-146.3	164	154	-145.9	-22.9	0	0	0	110.8	L694	L694-D696 PolarHBondContact O-N 3.27Å
697	G	33.3	Very low	34.2	Very low	50 Å²	50	134.1 Å²	134.1	52%	0.515	69%	0.691	S	S	.	*	S	Bend	trans	-76.2	144.3	-156.1	0	0	0	0	0	117.8	N699	G697-N699 PolarHBondContact O-N 2.88Å; G697-N699 VanDerWaalsContact O-N 3.15Å
698	N	31.9	Very low	34.6	Very low	168 Å²	168	132.8 Å²	132.8	90%	0.898	68%	0.681	S	S	*	*	S	Bend	trans	64.3	15.5	146.3	-67.3	-11.1	0	0	0	120.6
699	N	33.1	Very low	35.6	Very low	119 Å²	119	133.6 Å²	133.6	64%	0.636	67%	0.674	S	S	*	*			trans	-133.3	121.3	164	-80.7	-61	0	0	0	113.3	G697 Y701	G697-N699 PolarHBondContact O-N 2.88Å; G697-N699 VanDerWaalsContact O-N 3.15Å; N699-Y701 HydrophobicContact CB-CD2 3.85Å; N699-Y701 HydrophobicContact CB-CE2 3.5Å; N699-Y701 PolarHBondContact O-N 3.46Å
700	K	29.5	Very low	36.6	Very low	212 Å²	212	131.6 Å²	131.6	92%	0.922	67%	0.666	S	S	*	*			trans	-82.4	93.7	170.4	-81.6	-172.2	174.1	-177	0	110.5
701	Y	36.5	Very low	38	Very low	156 Å²	156	127.9 Å²	127.9	61%	0.612	65%	0.646	S	S	*	*			trans	-102.7	118.2	162.9	-65	-67.3	0	0	0	109.6	N699 I703	N699-Y701 HydrophobicContact CB-CD2 3.85Å; N699-Y701 HydrophobicContact CB-CE2 3.5Å; N699-Y701 PolarHBondContact O-N 3.46Å; Y701-I703 VanDerWaalsContact C-N 3.29Å; Y701-I703 PolarHBondContact O-N 3.45Å
702	E	32.9	Very low	39.6	Very low	112 Å²	112	122.9 Å²	122.9	52%	0.523	62%	0.618	S	S	.	*			trans	-70.8	87.6	168	-82.9	-163.3	-175.3	0	0	109.1	R704	E702-R704 PolarHBondContact O-N 3.2Å; E702-R704 IonicContact OE2-CZ 3.4Å; E702-R704 IonicContact OE2-NE 2.63Å; E702-R704 PolarHBondContact OE2-NE 3.15Å; E702-R704 IonicContact OE2-NH2 3.74Å; E702-R704 PolarHBondContact OE2-NH2 3.34Å
703	I	36.7	Very low	41.1	Very low	135 Å²	135	117.4 Å²	117.4	69%	0.692	59%	0.585	S	S	*	*			trans	-71.1	80.9	168	-53.3	177.7	0	0	0	107.8	Y701	Y701-I703 VanDerWaalsContact C-N 3.29Å; Y701-I703 PolarHBondContact O-N 3.45Å
704	R	38.5	Very low	42.8	Very low	156 Å²	156	114.4 Å²	114.4	59%	0.589	57%	0.574	S	S	*	*			trans	-62.4	136.1	165.4	-70.7	-179.5	178.1	-104.9	-11.5	107.7	E702 I706	E702-R704 PolarHBondContact O-N 3.2Å; E702-R704 IonicContact OE2-CZ 3.4Å; E702-R704 IonicContact OE2-NE 2.63Å; E702-R704 PolarHBondContact OE2-NE 3.15Å; E702-R704 IonicContact OE2-NH2 3.74Å; E702-R704 PolarHBondContact OE2-NH2 3.34Å; R704-I706 PolarHBondContact O-N 3.3Å
705	P	38.7	Very low	44.5	Very low	110 Å²	110	109.2 Å²	109.2	71%	0.714	55%	0.547	S	S	*	.			trans	-61.4	137.9	-164.3	23.4	-34.1	0	0	0	111.4
706	I	41.4	Very low	46.2	Very low	86 Å²	86	99.9 Å²	99.9	44%	0.441	51%	0.511	S	S	.	.			trans	-40.7	148.7	157.2	-65.2	160.8	0	0	0	108.8	R704 N708 D771	R704-I706 PolarHBondContact O-N 3.3Å; I706-N708 PolarHBondContact O-N 3.26Å; I706-D771 WeakPolarHBondContact CG1-OD2 3.45Å
707	V	48.2	Very low	48.1	Very low	94 Å²	94	94.8 Å²	94.8	57%	0.57	48%	0.483	S	S	*	.			trans	-68.5	73.6	175.5	-171.3	0	0	0	0	110.3	F709	V707-F709 PolarHBondContact O-N 3.19Å; V707-F709 VanDerWaalsContact O-N 3.11Å
708	N	40.9	Very low	49.8	Very low	67 Å²	67	97.7 Å²	97.7	36%	0.358	48%	0.484	S	S	.	.			trans	-57.5	114.2	162.9	-74.1	-46.7	0	0	0	106.3	M689 I706 N710	M689-N708 HydrophobicContact CE-CB 3.89Å; M689-N708 VanDerWaalsContact CE-CG 3.42Å; M689-N708 HydrophobicContact SD-CB 3.93Å; M689-N708 PolarHBondContact SD-ND2 3.09Å; I706-N708 PolarHBondContact O-N 3.26Å; N708-N710 PolarHBondContact O-N 2.92Å
709	F	53.2	Low	51.7	Low	99 Å²	99	90.1 Å²	90.1	43%	0.434	44%	0.443	S	S	.	.			trans	-64.2	86.4	173.6	-97.4	-99.2	0	0	0	108.3	V586 V707 M717 V764	V586-F709 HydrophobicContact CG1-CE1 4.4Å; V707-F709 PolarHBondContact O-N 3.19Å; V707-F709 VanDerWaalsContact O-N 3.11Å; F709-M717 HydrophobicContact CE1-SD 4.49Å; F709-V764 HydrophobicContact CE2-CG1 4.04Å; F709-V764 HydrophobicContact CZ-CG1 4.37Å; F709-V764 HydrophobicContact CZ-CG2 4.43Å
710	N	55.4	Low	53.6	Low	67 Å²	67	86.4 Å²	86.4	36%	0.358	42%	0.423	S	S	.	.			trans	-53.9	153.2	178.3	-76.5	-36.1	0	0	0	109.3	N708 I712 S713 L714	N708-N710 PolarHBondContact O-N 2.92Å; N710-I712 HydrophobicContact CB-CB 4.32Å; N710-I712 CarbonylContact O-C 3.4Å; N710-I712 PolarHBondContact O-N 2.84Å; N710-S713 WeakPolarHBondContact O-CB 3.15Å; N710-S713 PolarHBondContact O-N 2.81Å; N710-L714 PolarHBondContact O-N 3.07Å; N710-L714 VanDerWaalsContact O-N 3.15Å
711	L	60.2	Low	55.5	Low	64 Å²	64	78.1 Å²	78.1	34%	0.335	40%	0.395	S	S	.	.	H	α-helix	trans	-51.6	-31	174.3	-176.1	61.1	0	0	0	111.4	L682 L714 L715	L682-L711 HydrophobicContact CD2-CD2 3.55Å; L711-L714 PolarHBondContact O-N 3.05Å; L711-L715 HydrophobicContact CG-CD1 4.03Å; L711-L715 HydrophobicContact CG-CG 4.4Å; L711-L715 VanDerWaalsContact O-CB 3.32Å; L711-L715 WeakPolarHBondContact O-CB 3.3Å; L711-L715 WeakPolarHBondContact O-CD1 3.35Å; L711-L715 WeakPolarHBondContact O-CG 3.43Å; L711-L715 PolarHBondContact O-N 3.47Å
712	I	63.1	Low	57.2	Low	34 Å²	34	71 Å²	71	17%	0.174	37%	0.367	C	S	.	.	H	α-helix	trans	-56.5	-52.5	171	-53.7	-177.8	0	0	0	112.3	L658 N710 L714 L715 Q716	L658-I712 HydrophobicContact CD1-CB 4.47Å; L658-I712 HydrophobicContact CD1-CD1 4.35Å; L658-I712 HydrophobicContact CD1-CG1 3.97Å; L658-I712 HydrophobicContact CD1-CG2 4.07Å; L658-I712 HydrophobicContact CD2-CG2 3.76Å; N710-I712 HydrophobicContact CB-CB 4.32Å; N710-I712 CarbonylContact O-C 3.4Å; N710-I712 PolarHBondContact O-N 2.84Å; I712-L714 VanDerWaalsContact C-N 3.34Å; I712-L714 PolarHBondContact O-N 3.44Å; I712-L715 PolarHBondContact O-N 2.97Å; I712-Q716 WeakPolarHBondContact O-CG 3.44Å; I712-Q716 PolarHBondContact O-N 2.89Å
713	S	64.2	Low	59.2	Low	14 Å²	14	67.4 Å²	67.4	10%	0.098	35%	0.35	C	S	.	.	H	α-helix	trans	-64.5	-38.8	-179.5	-44.3	0	0	0	0	111.3	N710 Q716 M717	N710-S713 WeakPolarHBondContact O-CB 3.15Å; N710-S713 PolarHBondContact O-N 2.81Å; S713-Q716 PolarHBondContact O-N 3.15Å; S713-M717 WeakPolarHBondContact O-CG 3.14Å; S713-M717 PolarHBondContact O-N 3.34Å
714	L	67.1	Low	60.8	Low	104 Å²	104	65.4 Å²	65.4	55%	0.545	34%	0.341	S	S	.	.	H	α-helix	trans	-66.6	-42.4	174.3	-174.7	64.5	0	0	0	112.1	N710 L711 I712 Q716 M717 M718	N710-L714 PolarHBondContact O-N 3.07Å; N710-L714 VanDerWaalsContact O-N 3.15Å; L711-L714 PolarHBondContact O-N 3.05Å; I712-L714 VanDerWaalsContact C-N 3.34Å; I712-L714 PolarHBondContact O-N 3.44Å; L714-Q716 VanDerWaalsContact C-N 3.3Å; L714-Q716 PolarHBondContact O-N 3.28Å; L714-M717 WeakPolarHBondContact O-CB 3.25Å; L714-M717 PolarHBondContact O-N 2.84Å; L714-M718 PolarHBondContact O-N 3.34Å
715	L	65.8	Low	62.1	Low	60 Å²	60	58.4 Å²	58.4	31%	0.314	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-35.8	173	-73.8	167.4	0	0	0	111.7	V654 L711 I712 M718	V654-L715 HydrophobicContact CG1-CB 4.18Å; L711-L715 HydrophobicContact CG-CD1 4.03Å; L711-L715 HydrophobicContact CG-CG 4.4Å; L711-L715 VanDerWaalsContact O-CB 3.32Å; L711-L715 WeakPolarHBondContact O-CB 3.3Å; L711-L715 WeakPolarHBondContact O-CD1 3.35Å; L711-L715 WeakPolarHBondContact O-CG 3.43Å; L711-L715 PolarHBondContact O-N 3.47Å; I712-L715 PolarHBondContact O-N 2.97Å; L715-M718 HydrophobicContact CD2-SD 3.93Å; L715-M718 WeakPolarHBondContact O-CB 3.45Å; L715-M718 PolarHBondContact O-N 3.48Å
716	Q	67.2	Low	63.6	Low	21 Å²	21	56.3 Å²	56.3	10%	0.098	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-36.6	172.1	-73.2	-178.3	-17.9	0	0	112.2	V586 H591 I712 S713 L714 M718 K719	V586-Q716 HydrophobicContact CG2-CB 3.75Å; H591-Q716 PolarHBondContact CE1-OE1 3.01Å; I712-Q716 WeakPolarHBondContact O-CG 3.44Å; I712-Q716 PolarHBondContact O-N 2.89Å; S713-Q716 PolarHBondContact O-N 3.15Å; L714-Q716 VanDerWaalsContact C-N 3.3Å; L714-Q716 PolarHBondContact O-N 3.28Å; Q716-M718 PolarHBondContact O-N 3.13Å; Q716-K719 WeakPolarHBondContact O-CB 3.36Å; Q716-K719 VanDerWaalsContact O-CG 3.3Å; Q716-K719 WeakPolarHBondContact O-CG 3.16Å; Q716-K719 PolarHBondContact O-N 3.41Å
717	M	72.8	Confident	64.8	Low	62 Å²	62	54 Å²	54	31%	0.305	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-30.2	170.3	-63.2	-120.8	74.7	0	0	112.2	V586 F709 S713 L714 K719 L720	V586-M717 HydrophobicContact CG1-CE 4.28Å; V586-M717 HydrophobicContact CG1-CG 3.99Å; V586-M717 HydrophobicContact CG1-SD 4.22Å; F709-M717 HydrophobicContact CE1-SD 4.49Å; S713-M717 WeakPolarHBondContact O-CG 3.14Å; S713-M717 PolarHBondContact O-N 3.34Å; L714-M717 WeakPolarHBondContact O-CB 3.25Å; L714-M717 PolarHBondContact O-N 2.84Å; M717-K719 PolarHBondContact O-N 2.87Å; M717-K719 VanDerWaalsContact O-N 3.14Å; M717-L720 HydrophobicContact CE-CD1 3.69Å; M717-L720 VanDerWaalsContact O-CB 3.31Å; M717-L720 WeakPolarHBondContact O-CB 3.37Å; M717-L720 PolarHBondContact O-N 3.45Å
718	M	69	Low	65.7	Low	112 Å²	112	51.1 Å²	51.1	55%	0.552	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-61.9	-17.2	171.8	-63.4	-179.1	62.8	0	0	113.4	L714 L715 Q716 L720 A721	L714-M718 PolarHBondContact O-N 3.34Å; L715-M718 HydrophobicContact CD2-SD 3.93Å; L715-M718 WeakPolarHBondContact O-CB 3.45Å; L715-M718 PolarHBondContact O-N 3.48Å; Q716-M718 PolarHBondContact O-N 3.13Å; M718-L720 PolarHBondContact O-N 2.95Å; M718-A721 WeakPolarHBondContact O-CB 3.27Å; M718-A721 PolarHBondContact O-N 2.86Å
719	K	70.5	Confident	66.9	Low	8 Å²	8	48.8 Å²	48.8	4%	0.035	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-59.8	-25.2	168.6	-62.1	-178.4	-172.4	-171.5	0	112	V582 D655 Q716 M717 A721 R722	V582-K719 HydrophobicContact CG1-CB 3.91Å; V582-K719 HydrophobicContact CG2-CB 3.84Å; V582-K719 HydrophobicContact CG2-CD 4.1Å; D655-K719 WeakPolarHBondContact OD1-CE 3.3Å; D655-K719 IonicContact OD1-NZ 2.72Å; D655-K719 PolarHBondContact OD1-NZ 3.33Å; D655-K719 WeakPolarHBondContact OD2-CE 3.49Å; D655-K719 IonicContact OD2-NZ 2.94Å; D655-K719 PolarHBondContact OD2-NZ 3.42Å; Q716-K719 WeakPolarHBondContact O-CB 3.36Å; Q716-K719 VanDerWaalsContact O-CG 3.3Å; Q716-K719 WeakPolarHBondContact O-CG 3.16Å; Q716-K719 PolarHBondContact O-N 3.41Å; M717-K719 PolarHBondContact O-N 2.87Å; M717-K719 VanDerWaalsContact O-N 3.14Å; K719-A721 PolarHBondContact O-N 3.43Å; K719-R722 WeakPolarHBondContact O-CB 3.19Å; K719-R722 WeakPolarHBondContact O-CD 3.13Å; K719-R722 WeakPolarHBondContact O-CG 3.29Å; K719-R722 PolarHBondContact O-N 3.12Å
720	L	74.6	Confident	67.6	Low	41 Å²	41	48.2 Å²	48.2	22%	0.215	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-65.7	-17.9	173.3	-62.2	-179.1	0	0	0	113.2	V582 P583 M717 M718 R722 L723	V582-L720 HydrophobicContact CB-CD2 3.82Å; V582-L720 HydrophobicContact CG1-CD2 3.59Å; V582-L720 HydrophobicContact CG1-CG 3.84Å; P583-L720 HydrophobicContact CG-CD2 4.14Å; M717-L720 HydrophobicContact CE-CD1 3.69Å; M717-L720 VanDerWaalsContact O-CB 3.31Å; M717-L720 WeakPolarHBondContact O-CB 3.37Å; M717-L720 PolarHBondContact O-N 3.45Å; M718-L720 PolarHBondContact O-N 2.95Å; L720-R722 PolarHBondContact O-N 3.24Å; L720-R722 VanDerWaalsContact O-N 3.1Å; L720-L723 HydrophobicContact CB-CD1 4.4Å; L720-L723 HydrophobicContact CD2-CD1 4.02Å; L720-L723 VanDerWaalsContact O-CB 3.25Å; L720-L723 WeakPolarHBondContact O-CB 3.12Å; L720-L723 VanDerWaalsContact O-CG 3.32Å; L720-L723 WeakPolarHBondContact O-CG 3.39Å; L720-L723 PolarHBondContact O-N 2.96Å
721	A	69.6	Low	68	Low	39 Å²	39	51.7 Å²	51.7	32%	0.322	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.3	-19.1	169	0	0	0	0	0	112.5	M718 K719 L723 L724	M718-A721 WeakPolarHBondContact O-CB 3.27Å; M718-A721 PolarHBondContact O-N 2.86Å; K719-A721 PolarHBondContact O-N 3.43Å; A721-L723 PolarHBondContact O-N 2.7Å; A721-L724 HydrophobicContact CB-CD1 4.42Å; A721-L724 VanDerWaalsContact O-CB 3.28Å; A721-L724 WeakPolarHBondContact O-CB 3.5Å; A721-L724 WeakPolarHBondContact O-CG 3.3Å; A721-L724 PolarHBondContact O-N 2.95Å; A721-L724 VanDerWaalsContact O-N 3.09Å
722	R	72	Confident	68.3	Low	7 Å²	7	52.5 Å²	52.5	3%	0.026	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-59.9	-26.3	171	-63.3	174.3	-179.9	-176.8	-0.4	112.4	I578 E606 L652 K719 L720 L724 R725	I578-R722 HydrophobicContact CD1-CB 4.17Å; I578-R722 HydrophobicContact CG2-CB 4.16Å; E606-R722 IonicContact OE1-CZ 3.36Å; E606-R722 VanDerWaalsContact OE1-CZ 3.32Å; E606-R722 IonicContact OE1-NH1 3.16Å; E606-R722 PolarHBondContact OE1-NH1 2.86Å; E606-R722 VanDerWaalsContact OE1-NH1 3.08Å; E606-R722 IonicContact OE1-NH2 3.21Å; E606-R722 PolarHBondContact OE1-NH2 3.27Å; L652-R722 PolarHBondContact O-NH2 3.22Å; K719-R722 WeakPolarHBondContact O-CB 3.19Å; K719-R722 WeakPolarHBondContact O-CD 3.13Å; K719-R722 WeakPolarHBondContact O-CG 3.29Å; K719-R722 PolarHBondContact O-N 3.12Å; L720-R722 PolarHBondContact O-N 3.24Å; L720-R722 VanDerWaalsContact O-N 3.1Å; R722-L724 PolarHBondContact O-N 2.96Å; R722-R725 WeakPolarHBondContact O-CB 3.45Å; R722-R725 PolarHBondContact O-N 3.06Å; R722-R725 VanDerWaalsContact O-N 3.14Å
723	L	74	Confident	68.6	Low	35 Å²	35	52.7 Å²	52.7	18%	0.183	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-69.2	-17.3	176.7	-56	178.2	0	0	0	113.3	A579 L720 A721 R725 L726 W757	A579-L723 HydrophobicContact CB-CD1 4.34Å; A579-L723 HydrophobicContact CB-CD2 3.62Å; L720-L723 HydrophobicContact CB-CD1 4.4Å; L720-L723 HydrophobicContact CD2-CD1 4.02Å; L720-L723 VanDerWaalsContact O-CB 3.25Å; L720-L723 WeakPolarHBondContact O-CB 3.12Å; L720-L723 VanDerWaalsContact O-CG 3.32Å; L720-L723 WeakPolarHBondContact O-CG 3.39Å; L720-L723 PolarHBondContact O-N 2.96Å; A721-L723 PolarHBondContact O-N 2.7Å; L723-R725 PolarHBondContact O-N 3.4Å; L723-R725 VanDerWaalsContact O-N 3.09Å; L723-L726 WeakPolarHBondContact O-CB 3.34Å; L723-L726 PolarHBondContact O-N 2.97Å; L723-W757 HydrophobicContact CD1-CH2 3.73Å; L723-W757 HydrophobicContact CD1-CZ2 3.51Å
724	L	69.9	Low	68.7	Low	93 Å²	93	57.2 Å²	57.2	49%	0.487	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-61.4	-15.9	170.3	-60.2	174.7	0	0	0	112.3	L646 A721 R722 L726 A727	L646-L724 HydrophobicContact CD2-CD1 4.4Å; A721-L724 HydrophobicContact CB-CD1 4.42Å; A721-L724 VanDerWaalsContact O-CB 3.28Å; A721-L724 WeakPolarHBondContact O-CB 3.5Å; A721-L724 WeakPolarHBondContact O-CG 3.3Å; A721-L724 PolarHBondContact O-N 2.95Å; A721-L724 VanDerWaalsContact O-N 3.09Å; R722-L724 PolarHBondContact O-N 2.96Å; L724-L726 VanDerWaalsContact C-N 3.25Å; L724-L726 PolarHBondContact O-N 3.28Å; L724-A727 VanDerWaalsContact O-CB 3.3Å; L724-A727 WeakPolarHBondContact O-CB 3.45Å; L724-A727 PolarHBondContact O-N 2.96Å
725	R	66.9	Low	68.7	Low	9 Å²	9	60.6 Å²	60.6	3%	0.034	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-63.3	-28.4	168.1	-71.5	-162.8	170.5	95	4.5	113.5	T575 D647 A650 R722 L723 A727 R728	T575-R725 HydrophobicContact CG2-CB 4.2Å; D647-R725 PolarHBondContact O-NH2 2.84Å; D647-R725 IonicContact OD1-CZ 2.86Å; D647-R725 IonicContact OD1-NE 2.7Å; D647-R725 PolarHBondContact OD1-NE 2.98Å; D647-R725 IonicContact OD1-NH2 3.24Å; D647-R725 PolarHBondContact OD1-NH2 3.42Å; A650-R725 VanDerWaalsContact C-NH1 3.32Å; A650-R725 HydrophobicContact CB-CG 4.18Å; A650-R725 VanDerWaalsContact CB-CZ 3.43Å; A650-R725 VanDerWaalsContact CB-NH1 3.28Å; A650-R725 PolarHBondContact O-NH1 3.46Å; A650-R725 PolarHBondContact O-NH2 3.01Å; R722-R725 WeakPolarHBondContact O-CB 3.45Å; R722-R725 PolarHBondContact O-N 3.06Å; R722-R725 VanDerWaalsContact O-N 3.14Å; L723-R725 PolarHBondContact O-N 3.4Å; L723-R725 VanDerWaalsContact O-N 3.09Å; R725-A727 PolarHBondContact O-N 2.86Å; R725-A727 VanDerWaalsContact O-N 3.14Å; R725-R728 VanDerWaalsContact O-CB 3.3Å; R725-R728 WeakPolarHBondContact O-CB 3.36Å; R725-R728 WeakPolarHBondContact O-CD 3.41Å; R725-R728 PolarHBondContact O-N 3.17Å
726	L	69.3	Low	68.7	Low	66 Å²	66	59.3 Å²	59.3	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-29.2	176	-162.4	73	0	0	0	111.3	L572 F576 L723 L724 R728 L729 I730 I733	L572-L726 HydrophobicContact CD1-CD1 3.92Å; F576-L726 HydrophobicContact CE1-CD1 4.32Å; L723-L726 WeakPolarHBondContact O-CB 3.34Å; L723-L726 PolarHBondContact O-N 2.97Å; L724-L726 VanDerWaalsContact C-N 3.25Å; L724-L726 PolarHBondContact O-N 3.28Å; L726-R728 PolarHBondContact O-N 3.43Å; L726-L729 HydrophobicContact CD1-CD1 4.47Å; L726-L729 CarbonylContact O-C 3.49Å; L726-L729 WeakPolarHBondContact O-CA 3.29Å; L726-L729 WeakPolarHBondContact O-CB 3.22Å; L726-L729 PolarHBondContact O-N 2.94Å; L726-I730 PolarHBondContact O-N 3Å; L726-I733 HydrophobicContact CD1-CD1 4.18Å
727	A	68	Low	68.7	Low	37 Å²	37	60.7 Å²	60.7	31%	0.306	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-26.7	175.4	0	0	0	0	0	114	W643 L724 R725 I730	W643-A727 HydrophobicContact CH2-CB 4.12Å; W643-A727 HydrophobicContact CZ3-CB 4.1Å; L724-A727 VanDerWaalsContact O-CB 3.3Å; L724-A727 WeakPolarHBondContact O-CB 3.45Å; L724-A727 PolarHBondContact O-N 2.96Å; R725-A727 PolarHBondContact O-N 2.86Å; R725-A727 VanDerWaalsContact O-N 3.14Å; A727-I730 HydrophobicContact CB-CD1 4.39Å
728	R	66	Low	68.5	Low	35 Å²	35	63.8 Å²	63.8	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-72.2	-40.8	171.3	-56.1	152.4	-176.8	-85.2	-12.3	110.6	W643 D647 R725 L726 I730	W643-R728 HydrophobicContact CD2-CG 4.1Å; W643-R728 HydrophobicContact CE3-CG 3.57Å; W643-R728 HydrophobicContact CH2-CG 4.3Å; W643-R728 HydrophobicContact CZ3-CG 3.68Å; W643-R728 PolarHBondContact O-NH2 2.94Å; D647-R728 VanDerWaalsContact CG-NH1 3.28Å; D647-R728 IonicContact OD1-CZ 2.63Å; D647-R728 IonicContact OD1-NE 2.65Å; D647-R728 IonicContact OD1-NH1 3.52Å; D647-R728 IonicContact OD1-NH2 2.71Å; D647-R728 PolarHBondContact OD1-NH2 3.12Å; D647-R728 IonicContact OD2-CZ 3.6Å; D647-R728 IonicContact OD2-NE 2.77Å; D647-R728 IonicContact OD2-NH1 2.8Å; D647-R728 PolarHBondContact OD2-NH1 3.46Å; D647-R728 IonicContact OD2-NH2 3.18Å; D647-R728 PolarHBondContact OD2-NH2 2.79Å; R725-R728 VanDerWaalsContact O-CB 3.3Å; R725-R728 WeakPolarHBondContact O-CB 3.36Å; R725-R728 WeakPolarHBondContact O-CD 3.41Å; R725-R728 PolarHBondContact O-N 3.17Å; L726-R728 PolarHBondContact O-N 3.43Å; R728-I730 VanDerWaalsContact C-N 3.27Å; R728-I730 PolarHBondContact O-N 2.9Å
729	L	65.5	Low	68.6	Low	17 Å²	17	63.5 Å²	63.5	9%	0.089	31%	0.313	C	S	.	.	H	α-helix	trans	-72.2	-21	-179.8	-57.6	-177.1	0	0	0	111.4	L572 L726 Q731 K732 I733	L572-L729 HydrophobicContact CB-CD1 3.97Å; L572-L729 HydrophobicContact CD1-CD1 3.64Å; L572-L729 HydrophobicContact CG-CD1 4.4Å; L726-L729 HydrophobicContact CD1-CD1 4.47Å; L726-L729 CarbonylContact O-C 3.49Å; L726-L729 WeakPolarHBondContact O-CA 3.29Å; L726-L729 WeakPolarHBondContact O-CB 3.22Å; L726-L729 PolarHBondContact O-N 2.94Å; L729-Q731 VanDerWaalsContact C-N 3.25Å; L729-Q731 PolarHBondContact O-N 3.42Å; L729-Q731 VanDerWaalsContact O-N 3.16Å; L729-K732 HydrophobicContact CD2-CD 4.08Å; L729-K732 CarbonylContact O-C 3.59Å; L729-K732 WeakPolarHBondContact O-CA 3.29Å; L729-K732 WeakPolarHBondContact O-CB 3.33Å; L729-K732 PolarHBondContact O-N 3.19Å; L729-I733 HydrophobicContact CB-CD1 4Å; L729-I733 HydrophobicContact CB-CG1 4.43Å; L729-I733 WeakPolarHBondContact O-CB 3.45Å; L729-I733 VanDerWaalsContact O-CG1 3.3Å; L729-I733 WeakPolarHBondContact O-CG1 3.47Å; L729-I733 PolarHBondContact O-N 3.06Å
730	I	69.2	Low	68.7	Low	87 Å²	87	64.2 Å²	64.2	45%	0.446	32%	0.319	S	S	.	.	H	α-helix	trans	-47.4	-45	172.8	-70.5	176.2	0	0	0	112.1	L726 A727 R728 K732 I733 I734	L726-I730 PolarHBondContact O-N 3Å; A727-I730 HydrophobicContact CB-CD1 4.39Å; R728-I730 VanDerWaalsContact C-N 3.27Å; R728-I730 PolarHBondContact O-N 2.9Å; I730-K732 VanDerWaalsContact C-N 3.26Å; I730-K732 PolarHBondContact O-N 2.77Å; I730-I733 PolarHBondContact O-N 2.91Å; I730-I734 HydrophobicContact CG2-CD1 3.63Å; I730-I734 HydrophobicContact CG2-CG1 4.28Å; I730-I734 WeakPolarHBondContact O-CB 3.44Å; I730-I734 VanDerWaalsContact O-CG1 3.25Å; I730-I734 WeakPolarHBondContact O-CG1 3.45Å; I730-I734 PolarHBondContact O-N 3.04Å
731	Q	63.3	Low	68.8	Low	141 Å²	141	67.2 Å²	67.2	66%	0.659	34%	0.339	S	S	*	.	H	α-helix	trans	-66.8	-26.6	179	-65.9	-172	-3.1	0	0	113.5	L729	L729-Q731 VanDerWaalsContact C-N 3.25Å; L729-Q731 PolarHBondContact O-N 3.42Å; L729-Q731 VanDerWaalsContact O-N 3.16Å
732	K	66.5	Low	69.2	Low	81 Å²	81	67.8 Å²	67.8	35%	0.352	34%	0.336	S	S	.	.	H	α-helix	trans	-84.5	-39.1	175.9	-58.2	179.1	-169.7	-177.6	0	110.4	D568 L729 I730 I734 R735 L736	D568-K732 HydrophobicContact CB-CD 4.41Å; D568-K732 IonicContact OD1-NZ 3.55Å; D568-K732 PolarHBondContact OD1-NZ 2.8Å; D568-K732 IonicContact OD2-NZ 2.65Å; D568-K732 PolarHBondContact OD2-NZ 3.4Å; L729-K732 HydrophobicContact CD2-CD 4.08Å; L729-K732 CarbonylContact O-C 3.59Å; L729-K732 WeakPolarHBondContact O-CA 3.29Å; L729-K732 WeakPolarHBondContact O-CB 3.33Å; L729-K732 PolarHBondContact O-N 3.19Å; I730-K732 VanDerWaalsContact C-N 3.26Å; I730-K732 PolarHBondContact O-N 2.77Å; K732-I734 PolarHBondContact O-N 2.93Å; K732-R735 WeakPolarHBondContact O-CB 3.38Å; K732-R735 PolarHBondContact O-N 2.93Å; K732-R735 VanDerWaalsContact O-N 3.14Å; K732-L736 WeakPolarHBondContact O-CB 3.35Å; K732-L736 PolarHBondContact O-N 3.05Å
733	I	69	Low	69.4	Low	38 Å²	38	68.9 Å²	68.9	20%	0.195	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-39	173.5	-69.1	166.5	0	0	0	110.8	L726 L729 I730 R735 L736 S737 L746	L726-I733 HydrophobicContact CD1-CD1 4.18Å; L729-I733 HydrophobicContact CB-CD1 4Å; L729-I733 HydrophobicContact CB-CG1 4.43Å; L729-I733 WeakPolarHBondContact O-CB 3.45Å; L729-I733 VanDerWaalsContact O-CG1 3.3Å; L729-I733 WeakPolarHBondContact O-CG1 3.47Å; L729-I733 PolarHBondContact O-N 3.06Å; I730-I733 PolarHBondContact O-N 2.91Å; I733-R735 VanDerWaalsContact C-N 3.31Å; I733-R735 PolarHBondContact O-N 2.99Å; I733-L736 CarbonylContact O-C 3.52Å; I733-L736 WeakPolarHBondContact O-CB 3.43Å; I733-L736 PolarHBondContact O-N 2.79Å; I733-L736 VanDerWaalsContact O-N 3.13Å; I733-S737 WeakPolarHBondContact O-CB 3.21Å; I733-S737 PolarHBondContact O-N 3.2Å; I733-S737 PolarHBondContact O-OG 2.88Å; I733-L746 HydrophobicContact CG2-CD1 3.9Å
734	I	67.3	Low	69.8	Low	109 Å²	109	69.7 Å²	69.7	56%	0.559	35%	0.348	S	S	*	.	H	α-helix	trans	-66.1	-31.8	174.4	-71.2	165.2	0	0	0	112.1	I730 K732 S737	I730-I734 HydrophobicContact CG2-CD1 3.63Å; I730-I734 HydrophobicContact CG2-CG1 4.28Å; I730-I734 WeakPolarHBondContact O-CB 3.44Å; I730-I734 VanDerWaalsContact O-CG1 3.25Å; I730-I734 WeakPolarHBondContact O-CG1 3.45Å; I730-I734 PolarHBondContact O-N 3.04Å; K732-I734 PolarHBondContact O-N 2.93Å; I734-S737 WeakPolarHBondContact CA-OG 3.49Å; I734-S737 PolarHBondContact O-OG 3.08Å
735	R	66.6	Low	70.4	Confident	175 Å²	175	67.1 Å²	67.1	66%	0.66	34%	0.344	S	S	*	.	H	α-helix	trans	-72.9	-39.4	170.1	-170.3	-177.3	-61.6	168.9	1.9	110.8	K732 I733 Q738	K732-R735 WeakPolarHBondContact O-CB 3.38Å; K732-R735 PolarHBondContact O-N 2.93Å; K732-R735 VanDerWaalsContact O-N 3.14Å; I733-R735 VanDerWaalsContact C-N 3.31Å; I733-R735 PolarHBondContact O-N 2.99Å; R735-Q738 WeakPolarHBondContact O-CB 3.47Å; R735-Q738 VanDerWaalsContact O-CG 3.32Å; R735-Q738 WeakPolarHBondContact O-CG 3.19Å; R735-Q738 PolarHBondContact O-N 3.14Å
736	L	65.8	Low	71	Confident	32 Å²	32	68.7 Å²	68.7	17%	0.168	35%	0.353	C	S	.	.	H	α-helix	trans	-71.2	-29.2	-178.9	-160.3	65.1	0	0	0	112.6	W569 K732 I733 Q738 Y739 I742	W569-L736 HydrophobicContact CH2-CD1 4.36Å; W569-L736 HydrophobicContact CH2-CD2 3.71Å; W569-L736 HydrophobicContact CZ2-CD1 3.88Å; W569-L736 HydrophobicContact CZ2-CD2 3.9Å; K732-L736 WeakPolarHBondContact O-CB 3.35Å; K732-L736 PolarHBondContact O-N 3.05Å; I733-L736 CarbonylContact O-C 3.52Å; I733-L736 WeakPolarHBondContact O-CB 3.43Å; I733-L736 PolarHBondContact O-N 2.79Å; I733-L736 VanDerWaalsContact O-N 3.13Å; L736-Q738 PolarHBondContact O-N 2.74Å; L736-Y739 WeakPolarHBondContact O-CB 3.45Å; L736-Y739 WeakPolarHBondContact O-CD2 3.4Å; L736-Y739 PolarHBondContact O-N 2.93Å; L736-I742 HydrophobicContact CD1-CD1 3.56Å; L736-I742 HydrophobicContact CD2-CG2 3.66Å; L736-I742 HydrophobicContact CG-CB 4.25Å; L736-I742 HydrophobicContact CG-CD1 3.82Å; L736-I742 HydrophobicContact CG-CG2 3.74Å
737	S	67.3	Low	71.7	Confident	51 Å²	51	67.1 Å²	67.1	36%	0.357	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5	177.3	62.2	0	0	0	0	113.6	I733 I734 Y739 V743	I733-S737 WeakPolarHBondContact O-CB 3.21Å; I733-S737 PolarHBondContact O-N 3.2Å; I733-S737 PolarHBondContact O-OG 2.88Å; I734-S737 WeakPolarHBondContact CA-OG 3.49Å; I734-S737 PolarHBondContact O-OG 3.08Å; S737-Y739 PolarHBondContact O-N 2.9Å; S737-V743 VanDerWaalsContact CA-CG2 3.46Å; S737-V743 WeakPolarHBondContact O-CG2 3.49Å
738	Q	68.1	Low	72.5	Confident	127 Å²	127	71.2 Å²	71.2	59%	0.593	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.2	162.1	-65.6	-176.9	-11.7	0	0	111.4	R735 L736 R857	R735-Q738 WeakPolarHBondContact O-CB 3.47Å; R735-Q738 VanDerWaalsContact O-CG 3.32Å; R735-Q738 WeakPolarHBondContact O-CG 3.19Å; R735-Q738 PolarHBondContact O-N 3.14Å; L736-Q738 PolarHBondContact O-N 2.74Å; Q738-R857 PolarHBondContact O-NH1 2.85Å; Q738-R857 PolarHBondContact O-NH2 2.91Å
739	Y	72	Confident	73.3	Confident	106 Å²	106	72.7 Å²	72.7	42%	0.416	37%	0.366	S	S	.	.	S	Bend	trans	-91.4	102.3	175.3	-59	-86.2	0	0	0	110.7	L736 S737 V741 I742 V743	L736-Y739 WeakPolarHBondContact O-CB 3.45Å; L736-Y739 WeakPolarHBondContact O-CD2 3.4Å; L736-Y739 PolarHBondContact O-N 2.93Å; S737-Y739 PolarHBondContact O-N 2.9Å; Y739-V741 VanDerWaalsContact C-N 3.27Å; Y739-V741 PolarHBondContact O-N 3.34Å; Y739-V741 VanDerWaalsContact O-N 3.15Å; Y739-I742 HydrophobicContact CD2-CD1 4.38Å; Y739-I742 HydrophobicContact CG-CD1 4.25Å; Y739-I742 PolarHBondContact O-N 3Å; Y739-V743 PolarHBondContact O-N 3.05Å
740	S	72.8	Confident	74.2	Confident	22 Å²	22	74 Å²	74	15%	0.154	38%	0.377	C	S	.	.	H	α-helix	trans	-49.1	-40.7	-177.5	-72.9	0	0	0	0	114.9	I742 V743 L744 I854 R857	S740-I742 VanDerWaalsContact C-N 3.27Å; S740-I742 PolarHBondContact O-N 3.4Å; S740-V743 WeakPolarHBondContact O-CB 3.4Å; S740-V743 PolarHBondContact O-N 3.15Å; S740-L744 PolarHBondContact O-N 3.03Å; S740-L744 VanDerWaalsContact O-N 3.12Å; S740-I854 WeakPolarHBondContact O-CD1 3.44Å; S740-R857 PolarHBondContact OG-NH1 2.8Å
741	V	75.2	Confident	75.1	Confident	105 Å²	105	71.8 Å²	71.8	64%	0.636	36%	0.364	S	S	*	.	H	α-helix	trans	-61.7	-35.8	179.3	-179.4	0	0	0	0	111.7	Y739 L744 G745	Y739-V741 VanDerWaalsContact C-N 3.27Å; Y739-V741 PolarHBondContact O-N 3.34Å; Y739-V741 VanDerWaalsContact O-N 3.15Å; V741-L744 PolarHBondContact O-N 3.42Å; V741-G745 PolarHBondContact O-N 3.39Å
742	I	78.4	Confident	76.4	Confident	51 Å²	51	67.4 Å²	67.4	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-78.6	-30.5	-178.1	-46.1	179.8	0	0	0	110.9	L736 Y739 S740 G745 L746	L736-I742 HydrophobicContact CD1-CD1 3.56Å; L736-I742 HydrophobicContact CD2-CG2 3.66Å; L736-I742 HydrophobicContact CG-CB 4.25Å; L736-I742 HydrophobicContact CG-CD1 3.82Å; L736-I742 HydrophobicContact CG-CG2 3.74Å; Y739-I742 HydrophobicContact CD2-CD1 4.38Å; Y739-I742 HydrophobicContact CG-CD1 4.25Å; Y739-I742 PolarHBondContact O-N 3Å; S740-I742 VanDerWaalsContact C-N 3.27Å; S740-I742 PolarHBondContact O-N 3.4Å; I742-G745 PolarHBondContact O-N 2.93Å; I742-L746 HydrophobicContact CG2-CD1 4.26Å; I742-L746 HydrophobicContact CG2-CG 4.43Å; I742-L746 WeakPolarHBondContact O-CB 3.42Å; I742-L746 VanDerWaalsContact O-CG 3.26Å; I742-L746 WeakPolarHBondContact O-CG 3.49Å; I742-L746 PolarHBondContact O-N 3.45Å
743	V	77.5	Confident	77.5	Confident	30 Å²	30	64.9 Å²	64.9	18%	0.182	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-47.7	167.8	-176.2	0	0	0	0	110.4	S737 Y739 S740 L746 L747	S737-V743 VanDerWaalsContact CA-CG2 3.46Å; S737-V743 WeakPolarHBondContact O-CG2 3.49Å; Y739-V743 PolarHBondContact O-N 3.05Å; S740-V743 WeakPolarHBondContact O-CB 3.4Å; S740-V743 PolarHBondContact O-N 3.15Å; V743-L746 PolarHBondContact O-N 2.9Å; V743-L747 HydrophobicContact CG1-CD1 3.95Å; V743-L747 HydrophobicContact CG1-CG 4.46Å; V743-L747 WeakPolarHBondContact O-CB 3.36Å; V743-L747 WeakPolarHBondContact O-CG 3.12Å; V743-L747 PolarHBondContact O-N 3.06Å
744	L	80.8	Confident	78.6	Confident	51 Å²	51	64.6 Å²	64.6	27%	0.267	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-45.3	177.9	-177.5	58.5	0	0	0	112	S740 V741 L746 L747 M748 V851 I854	S740-L744 PolarHBondContact O-N 3.03Å; S740-L744 VanDerWaalsContact O-N 3.12Å; V741-L744 PolarHBondContact O-N 3.42Å; L744-L746 PolarHBondContact O-N 3.46Å; L744-L747 PolarHBondContact O-N 2.88Å; L744-M748 HydrophobicContact CD1-CG 4.24Å; L744-M748 HydrophobicContact CD1-SD 4.36Å; L744-M748 HydrophobicContact CG-SD 4.23Å; L744-M748 WeakPolarHBondContact O-CG 3.4Å; L744-M748 PolarHBondContact O-N 3.38Å; L744-V851 HydrophobicContact CD1-CG2 3.69Å; L744-I854 HydrophobicContact CB-CD1 4.05Å
745	G	83.1	Confident	79.9	Confident	40 Å²	40	59.5 Å²	59.5	41%	0.412	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-41.6	176.3	0	0	0	0	0	113.4	V741 I742 F749	V741-G745 PolarHBondContact O-N 3.39Å; I742-G745 PolarHBondContact O-N 2.93Å; G745-F749 WeakPolarHBondContact O-CB 3.33Å; G745-F749 PolarHBondContact O-N 2.94Å
746	L	79.3	Confident	81.2	Confident	41 Å²	41	51.1 Å²	51.1	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-38	175.1	-72.5	168.7	0	0	0	112.3	F576 I733 I742 V743 L744 S750	F576-L746 HydrophobicContact CZ-CD2 3.98Å; I733-L746 HydrophobicContact CG2-CD1 3.9Å; I742-L746 HydrophobicContact CG2-CD1 4.26Å; I742-L746 HydrophobicContact CG2-CG 4.43Å; I742-L746 WeakPolarHBondContact O-CB 3.42Å; I742-L746 VanDerWaalsContact O-CG 3.26Å; I742-L746 WeakPolarHBondContact O-CG 3.49Å; I742-L746 PolarHBondContact O-N 3.45Å; V743-L746 PolarHBondContact O-N 2.9Å; L744-L746 PolarHBondContact O-N 3.46Å; L746-S750 WeakPolarHBondContact O-CB 3.39Å; L746-S750 PolarHBondContact O-N 3.24Å
747	L	83.3	Confident	82.5	Confident	34 Å²	34	53.8 Å²	53.8	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-47.7	174.9	-74.9	168.1	0	0	0	111.5	V743 L744 F749 S750 F751 N850	V743-L747 HydrophobicContact CG1-CD1 3.95Å; V743-L747 HydrophobicContact CG1-CG 4.46Å; V743-L747 WeakPolarHBondContact O-CB 3.36Å; V743-L747 WeakPolarHBondContact O-CG 3.12Å; V743-L747 PolarHBondContact O-N 3.06Å; L744-L747 PolarHBondContact O-N 2.88Å; L747-F749 VanDerWaalsContact C-N 3.33Å; L747-F749 PolarHBondContact O-N 3.48Å; L747-S750 PolarHBondContact O-N 3.35Å; L747-S750 VanDerWaalsContact O-N 3.14Å; L747-S750 PolarHBondContact O-OG 3.42Å; L747-F751 PolarHBondContact O-N 3Å; L747-N850 HydrophobicContact CD1-CB 3.5Å
748	M	84.9	Confident	83.8	Confident	122 Å²	122	51.9 Å²	51.9	60%	0.601	28%	0.279	S	S	*	.	H	α-helix	trans	-61.4	-40.1	176.3	-69.5	-177.9	74.1	0	0	112	L744 F751 A752	L744-M748 HydrophobicContact CD1-CG 4.24Å; L744-M748 HydrophobicContact CD1-SD 4.36Å; L744-M748 HydrophobicContact CG-SD 4.23Å; L744-M748 WeakPolarHBondContact O-CG 3.4Å; L744-M748 PolarHBondContact O-N 3.38Å; M748-F751 PolarHBondContact O-N 3.47Å; M748-A752 PolarHBondContact O-N 3.46Å
749	F	84.6	Confident	85	Confident	66 Å²	66	45.8 Å²	45.8	29%	0.289	25%	0.25	S	S	.	.	H	α-helix	trans	-64	-42.6	172.8	-176.2	-88.2	0	0	0	111.9	F576 G745 L747 F751 A752 L753	F576-F749 HydrophobicContact CB-CE1 4.1Å; F576-F749 HydrophobicContact CB-CE2 4.1Å; F576-F749 HydrophobicContact CB-CZ 3.55Å; F576-F749 AromaticContact CD1-CD1 3.83Å; F576-F749 HydrophobicContact CD1-CD1 3.83Å; F576-F749 AromaticContact CD1-CE1 3.17Å; F576-F749 HydrophobicContact CD1-CE1 3.17Å; F576-F749 AromaticContact CD1-CZ 3.61Å; F576-F749 HydrophobicContact CD1-CZ 3.61Å; F576-F749 HydrophobicContact CD2-CE1 4.31Å; F576-F749 HydrophobicContact CD2-CE2 4.5Å; F576-F749 HydrophobicContact CD2-CZ 4.29Å; F576-F749 AromaticContact CE1-CD1 3.68Å; F576-F749 HydrophobicContact CE1-CD1 3.68Å; F576-F749 AromaticContact CE1-CE1 3.5Å; F576-F749 HydrophobicContact CE1-CE1 3.5Å; F576-F749 VanDerWaalsContact CE1-CE1 3.5Å; F576-F749 HydrophobicContact CE1-CZ 4.32Å; F576-F749 HydrophobicContact CE2-CD1 4.43Å; F576-F749 HydrophobicContact CG-CD1 4.28Å; F576-F749 AromaticContact CG-CE1 3.63Å; F576-F749 HydrophobicContact CG-CE1 3.63Å; F576-F749 HydrophobicContact CG-CE2 4.17Å; F576-F749 AromaticContact CG-CZ 3.58Å; F576-F749 HydrophobicContact CG-CZ 3.58Å; F576-F749 AromaticContact CZ-CD1 3.99Å; F576-F749 HydrophobicContact CZ-CD1 3.99Å; F576-F749 HydrophobicContact CZ-CE1 4.19Å; G745-F749 WeakPolarHBondContact O-CB 3.33Å; G745-F749 PolarHBondContact O-N 2.94Å; L747-F749 VanDerWaalsContact C-N 3.33Å; L747-F749 PolarHBondContact O-N 3.48Å; F749-F751 VanDerWaalsContact C-N 3.29Å; F749-F751 PolarHBondContact O-N 3.5Å; F749-A752 PolarHBondContact O-N 3.47Å; F749-L753 HydrophobicContact CE1-CB 4.15Å; F749-L753 HydrophobicContact CE1-CD1 3.74Å; F749-L753 HydrophobicContact CZ-CD1 4.44Å; F749-L753 WeakPolarHBondContact O-CB 3.32Å; F749-L753 PolarHBondContact O-N 3.1Å
750	S	83.2	Confident	86	Confident	45 Å²	45	41 Å²	41	32%	0.315	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-35.3	176.8	76.3	0	0	0	0	112.6	L746 L747 L753 V754	L746-S750 WeakPolarHBondContact O-CB 3.39Å; L746-S750 PolarHBondContact O-N 3.24Å; L747-S750 PolarHBondContact O-N 3.35Å; L747-S750 VanDerWaalsContact O-N 3.14Å; L747-S750 PolarHBondContact O-OG 3.42Å; S750-L753 PolarHBondContact O-N 2.69Å; S750-V754 WeakPolarHBondContact O-CB 3.33Å; S750-V754 WeakPolarHBondContact O-CG2 3.29Å; S750-V754 PolarHBondContact O-N 3.07Å
751	F	88.4	Confident	86.8	Confident	41 Å²	41	44 Å²	44	18%	0.18	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-48.2	172.8	-175.2	-86	0	0	0	111.6	L747 M748 F749 L753 V754 A755 L814 T815 M843	L747-F751 PolarHBondContact O-N 3Å; M748-F751 PolarHBondContact O-N 3.47Å; F749-F751 VanDerWaalsContact C-N 3.29Å; F749-F751 PolarHBondContact O-N 3.5Å; F751-L753 VanDerWaalsContact C-N 3.34Å; F751-L753 PolarHBondContact O-N 2.62Å; F751-V754 PolarHBondContact O-N 3.16Å; F751-A755 VanDerWaalsContact O-CB 3.31Å; F751-A755 WeakPolarHBondContact O-CB 3.3Å; F751-A755 PolarHBondContact O-N 3.1Å; F751-L814 HydrophobicContact CE2-CB 3.81Å; F751-L814 HydrophobicContact CZ-CB 3.63Å; F751-T815 HydrophobicContact CE1-CG2 4.19Å; F751-T815 HydrophobicContact CZ-CG2 3.65Å; F751-M843 HydrophobicContact CB-CE 4.31Å; F751-M843 HydrophobicContact CD2-CE 4.21Å
752	A	90.6	Very high	87.7	Confident	48 Å²	48	39 Å²	39	40%	0.397	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-38.9	177.1	0	0	0	0	0	112.8	M748 F749 H756	M748-A752 PolarHBondContact O-N 3.46Å; F749-A752 PolarHBondContact O-N 3.47Å; A752-H756 VanDerWaalsContact O-CB 3.29Å; A752-H756 WeakPolarHBondContact O-CB 3.2Å; A752-H756 PolarHBondContact O-N 3.03Å
753	L	90.4	Very high	88.3	Confident	29 Å²	29	37.1 Å²	37.1	15%	0.152	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-46.2	176	176.5	158.1	0	0	0	111.9	A579 F749 S750 F751 H756 W757	A579-L753 HydrophobicContact CB-CD1 3.66Å; F749-L753 HydrophobicContact CE1-CB 4.15Å; F749-L753 HydrophobicContact CE1-CD1 3.74Å; F749-L753 HydrophobicContact CZ-CD1 4.44Å; F749-L753 WeakPolarHBondContact O-CB 3.32Å; F749-L753 PolarHBondContact O-N 3.1Å; S750-L753 PolarHBondContact O-N 2.69Å; F751-L753 VanDerWaalsContact C-N 3.34Å; F751-L753 PolarHBondContact O-N 2.62Å; L753-H756 PolarHBondContact O-N 2.75Å; L753-W757 HydrophobicContact CD1-CZ2 4.38Å; L753-W757 HydrophobicContact CD2-CD2 3.73Å; L753-W757 HydrophobicContact CD2-CE3 4.05Å; L753-W757 HydrophobicContact CD2-CG 4.3Å; L753-W757 HydrophobicContact CD2-CH2 4.04Å; L753-W757 HydrophobicContact CD2-CZ2 3.7Å; L753-W757 HydrophobicContact CD2-CZ3 4.2Å; L753-W757 HydrophobicContact CG-CZ2 4.22Å; L753-W757 PolarHBondContact O-N 3.36Å
754	V	91.8	Very high	88.8	Confident	32 Å²	32	37.8 Å²	37.8	19%	0.194	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-42.3	177.2	171.7	0	0	0	0	110.9	S750 F751 H756 W757 C758 L814 L839 M843	S750-V754 WeakPolarHBondContact O-CB 3.33Å; S750-V754 WeakPolarHBondContact O-CG2 3.29Å; S750-V754 PolarHBondContact O-N 3.07Å; F751-V754 PolarHBondContact O-N 3.16Å; V754-H756 VanDerWaalsContact C-N 3.3Å; V754-H756 PolarHBondContact O-N 2.81Å; V754-W757 PolarHBondContact O-N 3.02Å; V754-C758 WeakPolarHBondContact O-CB 3.39Å; V754-C758 PolarHBondContact O-N 3.22Å; V754-C758 PolarHBondContact O-SG 3.34Å; V754-C758 VanDerWaalsContact O-SG 3.37Å; V754-L814 HydrophobicContact CG1-CD1 4.4Å; V754-L839 HydrophobicContact CG1-CD2 3.76Å; V754-L839 HydrophobicContact CG1-CG 4.46Å; V754-M843 HydrophobicContact CB-CE 3.92Å; V754-M843 HydrophobicContact CB-SD 4Å; V754-M843 HydrophobicContact CG1-CE 4.3Å; V754-M843 HydrophobicContact CG1-SD 3.68Å; V754-M843 HydrophobicContact CG2-CE 3.89Å; V754-M843 HydrophobicContact CG2-SD 4.19Å
755	A	93.8	Very high	89.2	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-42.4	174	0	0	0	0	0	112.1	F751 A759 L807 T810 L814	F751-A755 VanDerWaalsContact O-CB 3.31Å; F751-A755 WeakPolarHBondContact O-CB 3.3Å; F751-A755 PolarHBondContact O-N 3.1Å; A755-A759 WeakPolarHBondContact O-CB 3.23Å; A755-A759 PolarHBondContact O-N 2.7Å; A755-L807 HydrophobicContact CB-CD1 4.36Å; A755-T810 PolarHBondContact O-OG1 3.21Å; A755-L814 HydrophobicContact CB-CD1 3.7Å
756	H	94.5	Very high	89.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-43.2	175.2	174.5	70.2	0	0	0	112.8	F580 A752 L753 V754 A759 C760 Y803	F580-H756 HydrophobicContact CD2-CB 4.13Å; F580-H756 AromaticContact CD2-CD2 3.86Å; F580-H756 AromaticContact CD2-CG 3.74Å; F580-H756 HydrophobicContact CE2-CB 3.87Å; F580-H756 AromaticContact CE2-CG 3.62Å; F580-H756 AromaticContact CE2-ND1 3.73Å; F580-H756 AromaticContact CZ-ND1 3.73Å; F580-H756 PolarHBondContact O-NE2 3.34Å; A752-H756 VanDerWaalsContact O-CB 3.29Å; A752-H756 WeakPolarHBondContact O-CB 3.2Å; A752-H756 PolarHBondContact O-N 3.03Å; L753-H756 PolarHBondContact O-N 2.75Å; V754-H756 VanDerWaalsContact C-N 3.3Å; V754-H756 PolarHBondContact O-N 2.81Å; H756-A759 WeakPolarHBondContact O-CB 3.24Å; H756-A759 PolarHBondContact O-N 2.9Å; H756-C760 PolarHBondContact O-N 2.84Å; H756-C760 PolarHBondContact O-SG 2.93Å; H756-Y803 AromaticContact CE1-CE2 3.81Å; H756-Y803 AromaticContact ND1-CE2 3.55Å; H756-Y803 AromaticContact ND1-CZ 3.69Å; H756-Y803 PolarHBondContact ND1-OH 2.97Å
757	W	92.5	Very high	89.6	Confident	88 Å²	88	35.2 Å²	35.2	33%	0.333	19%	0.186	S	C	.	.	H	α-helix	trans	-65.1	-43.4	176.1	-70.3	6.4	0	0	0	111.9	A579 L723 L753 V754 A759 C760 I761	A579-W757 PolarHBondContact O-NE1 3.45Å; L723-W757 HydrophobicContact CD1-CH2 3.73Å; L723-W757 HydrophobicContact CD1-CZ2 3.51Å; L753-W757 HydrophobicContact CD1-CZ2 4.38Å; L753-W757 HydrophobicContact CD2-CD2 3.73Å; L753-W757 HydrophobicContact CD2-CE3 4.05Å; L753-W757 HydrophobicContact CD2-CG 4.3Å; L753-W757 HydrophobicContact CD2-CH2 4.04Å; L753-W757 HydrophobicContact CD2-CZ2 3.7Å; L753-W757 HydrophobicContact CD2-CZ3 4.2Å; L753-W757 HydrophobicContact CG-CZ2 4.22Å; L753-W757 PolarHBondContact O-N 3.36Å; V754-W757 PolarHBondContact O-N 3.02Å; W757-A759 VanDerWaalsContact C-N 3.32Å; W757-A759 PolarHBondContact O-N 2.89Å; W757-C760 PolarHBondContact O-N 2.84Å; W757-I761 WeakPolarHBondContact O-CG1 3.32Å; W757-I761 PolarHBondContact O-N 3.31Å
758	C	94.1	Very high	89.5	Confident	10 Å²	10	41.5 Å²	41.5	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-41.7	172.2	-75.3	0	0	0	0	111.7	V754 C760 I761 W762 T810 F832 I836	V754-C758 WeakPolarHBondContact O-CB 3.39Å; V754-C758 PolarHBondContact O-N 3.22Å; V754-C758 PolarHBondContact O-SG 3.34Å; V754-C758 VanDerWaalsContact O-SG 3.37Å; C758-C760 PolarHBondContact O-N 3.45Å; C758-I761 PolarHBondContact O-N 3.02Å; C758-W762 WeakPolarHBondContact O-CB 3.4Å; C758-W762 PolarHBondContact O-N 3.12Å; C758-T810 HydrophobicContact CB-CG2 3.88Å; C758-F832 WeakPolarHBondContact O-CZ 3.41Å; C758-I836 HydrophobicContact CB-CD1 3.72Å; C758-I836 HydrophobicContact CB-CG1 4.49Å
759	A	94.5	Very high	89.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-40.3	177.3	0	0	0	0	0	112.4	A755 H756 W757 W762 Y763 A806 L807	A755-A759 WeakPolarHBondContact O-CB 3.23Å; A755-A759 PolarHBondContact O-N 2.7Å; H756-A759 WeakPolarHBondContact O-CB 3.24Å; H756-A759 PolarHBondContact O-N 2.9Å; W757-A759 VanDerWaalsContact C-N 3.32Å; W757-A759 PolarHBondContact O-N 2.89Å; A759-W762 PolarHBondContact O-N 2.86Å; A759-Y763 PolarHBondContact O-N 2.86Å; A759-A806 HydrophobicContact CB-CB 4.2Å; A759-L807 HydrophobicContact CB-CB 4.14Å; A759-L807 HydrophobicContact CB-CD1 4.11Å
760	C	91.7	Very high	89.1	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.034	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-43	174.5	-63	0	0	0	0	111.5	P583 T587 H756 W757 C758 Y763 V764	P583-C760 HydrophobicContact CB-CB 4.34Å; T587-C760 HydrophobicContact CG2-CB 4.02Å; H756-C760 PolarHBondContact O-N 2.84Å; H756-C760 PolarHBondContact O-SG 2.93Å; W757-C760 PolarHBondContact O-N 2.84Å; C758-C760 PolarHBondContact O-N 3.45Å; C760-Y763 PolarHBondContact O-N 2.86Å; C760-V764 WeakPolarHBondContact O-CG2 3.24Å; C760-V764 PolarHBondContact O-N 3.29Å; C760-V764 VanDerWaalsContact O-N 3.08Å
761	I	91.4	Very high	88.4	Confident	85 Å²	85	36.5 Å²	36.5	44%	0.436	18%	0.183	S	C	.	.	H	α-helix	trans	-68.2	-40.3	177.4	-60.5	161.2	0	0	0	111.2	W757 C758 Y763 V764 I765 F832	W757-I761 WeakPolarHBondContact O-CG1 3.32Å; W757-I761 PolarHBondContact O-N 3.31Å; C758-I761 PolarHBondContact O-N 3.02Å; I761-Y763 VanDerWaalsContact C-N 3.27Å; I761-Y763 PolarHBondContact O-N 2.89Å; I761-V764 PolarHBondContact O-N 3.26Å; I761-V764 VanDerWaalsContact O-N 3.15Å; I761-I765 HydrophobicContact CG2-CD1 4.07Å; I761-I765 HydrophobicContact CG2-CG1 4.48Å; I761-I765 WeakPolarHBondContact O-CG1 3.19Å; I761-I765 PolarHBondContact O-N 2.9Å; I761-F832 HydrophobicContact CB-CE2 3.88Å; I761-F832 HydrophobicContact CB-CZ 3.88Å; I761-F832 HydrophobicContact CG2-CD2 4.09Å; I761-F832 HydrophobicContact CG2-CE2 3.36Å; I761-F832 HydrophobicContact CG2-CZ 3.8Å
762	W	94	Very high	87.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-37.6	174.8	-175.5	-113.1	0	0	0	112.4	C758 A759 G766 W777 F809 T810 V822 A824 E829 F832	C758-W762 WeakPolarHBondContact O-CB 3.4Å; C758-W762 PolarHBondContact O-N 3.12Å; A759-W762 PolarHBondContact O-N 2.86Å; W762-G766 PolarHBondContact O-N 3.06Å; W762-W777 AromaticContact CD1-CE2 3.44Å; W762-W777 VanDerWaalsContact CD1-CE2 3.44Å; W762-W777 AromaticContact CD1-CH2 3.92Å; W762-W777 AromaticContact CD1-CZ2 3.4Å; W762-W777 AromaticContact CD1-NE1 3.74Å; W762-W777 AromaticContact CD2-NE1 3.87Å; W762-W777 AromaticContact CE2-CD1 3.49Å; W762-W777 VanDerWaalsContact CE2-CD1 3.49Å; W762-W777 AromaticContact CE2-CD2 3.8Å; W762-W777 AromaticContact CE2-CE2 3.75Å; W762-W777 AromaticContact CE2-CG 3.67Å; W762-W777 AromaticContact CE2-NE1 3.52Å; W762-W777 HydrophobicContact CG-CZ2 4.28Å; W762-W777 HydrophobicContact CH2-CG 4.42Å; W762-W777 HydrophobicContact CZ2-CB 3.78Å; W762-W777 AromaticContact CZ2-CD1 3.48Å; W762-W777 VanDerWaalsContact CZ2-CD1 3.48Å; W762-W777 HydrophobicContact CZ2-CD2 4.11Å; W762-W777 AromaticContact CZ2-CG 3.51Å; W762-W777 HydrophobicContact CZ2-CG 3.51Å; W762-W777 AromaticContact NE1-CD1 3.72Å; W762-W777 AromaticContact NE1-CD2 3.24Å; W762-W777 AromaticContact NE1-CE2 3.14Å; W762-W777 AromaticContact NE1-CE3 3.71Å; W762-W777 AromaticContact NE1-CG 3.65Å; W762-W777 AromaticContact NE1-CH2 3.99Å; W762-W777 AromaticContact NE1-CZ2 3.54Å; W762-W777 AromaticContact NE1-NE1 3.41Å; W762-W777 PolarHBondContact O-NE1 3.46Å; W762-W777 VanDerWaalsContact O-NE1 3.15Å; W762-F809 AromaticContact CD1-CD1 3.93Å; W762-F809 AromaticContact CD2-CD1 3.57Å; W762-F809 HydrophobicContact CD2-CD1 3.57Å; W762-F809 AromaticContact CD2-CE1 3.57Å; W762-F809 HydrophobicContact CD2-CE1 3.57Å; W762-F809 AromaticContact CE2-CD1 3.31Å; W762-F809 AromaticContact CE2-CE1 3.48Å; W762-F809 VanDerWaalsContact CE2-CE1 3.48Å; W762-F809 AromaticContact CE2-CG 3.96Å; W762-F809 HydrophobicContact CE3-CD1 4.15Å; W762-F809 AromaticContact CE3-CE1 3.66Å; W762-F809 HydrophobicContact CE3-CE1 3.66Å; W762-F809 AromaticContact CG-CD1 3.92Å; W762-F809 HydrophobicContact CG-CD1 3.92Å; W762-F809 HydrophobicContact CG-CE1 4.33Å; W762-F809 HydrophobicContact CH2-CD1 4.2Å; W762-F809 AromaticContact CH2-CE1 3.51Å; W762-F809 HydrophobicContact CH2-CE1 3.51Å; W762-F809 HydrophobicContact CH2-CE2 4.39Å; W762-F809 AromaticContact CH2-CZ 3.62Å; W762-F809 HydrophobicContact CH2-CZ 3.62Å; W762-F809 AromaticContact CZ2-CD1 3.67Å; W762-F809 HydrophobicContact CZ2-CD1 3.67Å; W762-F809 HydrophobicContact CZ2-CD2 4.39Å; W762-F809 AromaticContact CZ2-CE1 3.47Å; W762-F809 HydrophobicContact CZ2-CE1 3.47Å; W762-F809 VanDerWaalsContact CZ2-CE1 3.47Å; W762-F809 HydrophobicContact CZ2-CE2 4.21Å; W762-F809 HydrophobicContact CZ2-CG 4.13Å; W762-F809 AromaticContact CZ2-CZ 3.76Å; W762-F809 HydrophobicContact CZ2-CZ 3.76Å; W762-F809 HydrophobicContact CZ3-CD1 4.42Å; W762-F809 AromaticContact CZ3-CE1 3.61Å; W762-F809 HydrophobicContact CZ3-CE1 3.61Å; W762-F809 HydrophobicContact CZ3-CZ 4.03Å; W762-F809 AromaticContact NE1-CD1 3.56Å; W762-F809 AromaticContact NE1-CG 3.96Å; W762-T810 HydrophobicContact CB-CG2 4.16Å; W762-T810 HydrophobicContact CG-CG2 4.49Å; W762-V822 HydrophobicContact CZ2-CG1 4.18Å; W762-A824 HydrophobicContact CH2-CB 4.19Å; W762-E829 HydrophobicContact CH2-CB 3.75Å; W762-E829 HydrophobicContact CH2-CG 3.71Å; W762-E829 HydrophobicContact CZ3-CB 3.77Å; W762-E829 HydrophobicContact CZ3-CG 3.81Å; W762-F832 HydrophobicContact CB-CE1 3.87Å; W762-F832 HydrophobicContact CB-CZ 4.42Å; W762-F832 HydrophobicContact CD2-CD1 4.43Å; W762-F832 HydrophobicContact CD2-CE1 4.3Å; W762-F832 AromaticContact CE3-CD1 3.38Å; W762-F832 HydrophobicContact CE3-CD1 3.38Å; W762-F832 AromaticContact CE3-CE1 3.64Å; W762-F832 HydrophobicContact CE3-CE1 3.64Å; W762-F832 HydrophobicContact CE3-CG 4.45Å; W762-F832 HydrophobicContact CG-CE1 4.45Å; W762-F832 AromaticContact CZ3-CD1 3.86Å; W762-F832 HydrophobicContact CZ3-CD1 3.86Å
763	Y	91.2	Very high	86.1	Confident	12 Å²	12	37.3 Å²	37.3	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-69.1	-39.8	173.7	-174.3	-121.8	0	0	0	113	T587 F588 A759 C760 I761 I765 G766 L767 W777 L778 K802	T587-Y763 VanDerWaalsContact O-CE1 3.28Å; T587-Y763 WeakPolarHBondContact O-CE1 3.49Å; F588-Y763 AromaticContact CD1-CD1 3.59Å; F588-Y763 HydrophobicContact CD1-CD1 3.59Å; F588-Y763 AromaticContact CD1-CE1 3.57Å; F588-Y763 HydrophobicContact CD1-CE1 3.57Å; F588-Y763 HydrophobicContact CD1-CG 4.22Å; F588-Y763 HydrophobicContact CD2-CD1 4.39Å; F588-Y763 AromaticContact CE1-CD1 3.27Å; F588-Y763 HydrophobicContact CE1-CD1 3.27Å; F588-Y763 AromaticContact CE1-CD2 3.97Å; F588-Y763 HydrophobicContact CE1-CD2 3.97Å; F588-Y763 AromaticContact CE1-CE1 3.67Å; F588-Y763 HydrophobicContact CE1-CE1 3.67Å; F588-Y763 HydrophobicContact CE1-CE2 4.33Å; F588-Y763 AromaticContact CE1-CG 3.44Å; F588-Y763 HydrophobicContact CE1-CG 3.44Å; F588-Y763 VanDerWaalsContact CE1-CG 3.44Å; F588-Y763 HydrophobicContact CE2-CD1 4.12Å; F588-Y763 HydrophobicContact CG-CD1 4.15Å; F588-Y763 HydrophobicContact CG-CE1 4.22Å; F588-Y763 AromaticContact CZ-CD1 3.55Å; F588-Y763 HydrophobicContact CZ-CD1 3.55Å; F588-Y763 HydrophobicContact CZ-CD2 4.46Å; F588-Y763 HydrophobicContact CZ-CE1 4.37Å; F588-Y763 AromaticContact CZ-CG 3.61Å; F588-Y763 HydrophobicContact CZ-CG 3.61Å; A759-Y763 PolarHBondContact O-N 2.86Å; C760-Y763 PolarHBondContact O-N 2.86Å; I761-Y763 VanDerWaalsContact C-N 3.27Å; I761-Y763 PolarHBondContact O-N 2.89Å; Y763-I765 PolarHBondContact O-N 2.92Å; Y763-G766 PolarHBondContact O-N 3.3Å; Y763-L767 HydrophobicContact CD1-CD1 4.01Å; Y763-L767 HydrophobicContact CD1-CG 4.5Å; Y763-L767 HydrophobicContact CE1-CD1 3.59Å; Y763-L767 HydrophobicContact CE1-CG 4.11Å; Y763-L767 HydrophobicContact CE2-CD1 4.47Å; Y763-L767 HydrophobicContact CE2-CD2 4.28Å; Y763-L767 HydrophobicContact CE2-CG 4.08Å; Y763-L767 WeakPolarHBondContact O-CG 3.49Å; Y763-L767 PolarHBondContact O-N 2.93Å; Y763-W777 HydrophobicContact CD2-CZ2 4.28Å; Y763-L778 HydrophobicContact CD2-CD1 4.32Å; Y763-L778 HydrophobicContact CE2-CD1 4.14Å; Y763-L778 HydrophobicContact CE2-CD2 4.34Å; Y763-K802 HydrophobicContact CD2-CB 4.38Å; Y763-K802 HydrophobicContact CE2-CB 3.98Å; Y763-K802 HydrophobicContact CE2-CD 4Å; Y763-K802 HydrophobicContact CE2-CG 4.14Å
764	V	87.7	Confident	85.3	Confident	44 Å²	44	42.1 Å²	42.1	27%	0.267	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-38.7	173.5	173.2	0	0	0	0	112.1	T587 F709 C760 I761 L767 Y768	T587-V764 HydrophobicContact CG2-CG2 3.57Å; F709-V764 HydrophobicContact CE2-CG1 4.04Å; F709-V764 HydrophobicContact CZ-CG1 4.37Å; F709-V764 HydrophobicContact CZ-CG2 4.43Å; C760-V764 WeakPolarHBondContact O-CG2 3.24Å; C760-V764 PolarHBondContact O-N 3.29Å; C760-V764 VanDerWaalsContact O-N 3.08Å; I761-V764 PolarHBondContact O-N 3.26Å; I761-V764 VanDerWaalsContact O-N 3.15Å; V764-L767 PolarHBondContact O-N 3.32Å; V764-Y768 PolarHBondContact O-N 3.29Å; V764-Y768 VanDerWaalsContact O-N 3.1Å
765	I	89	Confident	84.9	Confident	29 Å²	29	45.4 Å²	45.4	15%	0.149	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-47.1	172.9	-66.5	165.5	0	0	0	110.2	I761 Y763 L767 Y768 E769 N828 E829 F832	I761-I765 HydrophobicContact CG2-CD1 4.07Å; I761-I765 HydrophobicContact CG2-CG1 4.48Å; I761-I765 WeakPolarHBondContact O-CG1 3.19Å; I761-I765 PolarHBondContact O-N 2.9Å; Y763-I765 PolarHBondContact O-N 2.92Å; I765-L767 VanDerWaalsContact C-N 3.33Å; I765-L767 PolarHBondContact O-N 2.95Å; I765-Y768 PolarHBondContact O-N 3.43Å; I765-Y768 VanDerWaalsContact O-N 3.1Å; I765-E769 PolarHBondContact O-N 2.67Å; I765-N828 HydrophobicContact CG2-CB 4.44Å; I765-E829 HydrophobicContact CG2-CG 4.11Å; I765-F832 HydrophobicContact CD1-CB 3.66Å; I765-F832 HydrophobicContact CD1-CD1 3.9Å; I765-F832 HydrophobicContact CD1-CD2 3.57Å; I765-F832 HydrophobicContact CD1-CE1 4.36Å; I765-F832 HydrophobicContact CD1-CE2 4.11Å; I765-F832 HydrophobicContact CD1-CG 3.43Å; I765-F832 VanDerWaalsContact CD1-CG 3.43Å; I765-F832 HydrophobicContact CD1-CZ 4.45Å
766	G	88.2	Confident	84.6	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-44.1	176.1	0	0	0	0	0	112.8	W762 Y763 Y768 E769 I770	W762-G766 PolarHBondContact O-N 3.06Å; Y763-G766 PolarHBondContact O-N 3.3Å; G766-Y768 VanDerWaalsContact C-N 3.31Å; G766-Y768 PolarHBondContact O-N 3.03Å; G766-E769 PolarHBondContact O-N 2.92Å; G766-I770 WeakPolarHBondContact O-CG1 3.44Å; G766-I770 PolarHBondContact O-N 2.74Å
767	L	82.5	Confident	84.5	Confident	45 Å²	45	46 Å²	46	24%	0.236	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-32.7	175.7	-77.2	174.6	0	0	0	113.6	Y763 V764 I765 I770	Y763-L767 HydrophobicContact CD1-CD1 4.01Å; Y763-L767 HydrophobicContact CD1-CG 4.5Å; Y763-L767 HydrophobicContact CE1-CD1 3.59Å; Y763-L767 HydrophobicContact CE1-CG 4.11Å; Y763-L767 HydrophobicContact CE2-CD1 4.47Å; Y763-L767 HydrophobicContact CE2-CD2 4.28Å; Y763-L767 HydrophobicContact CE2-CG 4.08Å; Y763-L767 WeakPolarHBondContact O-CG 3.49Å; Y763-L767 PolarHBondContact O-N 2.93Å; V764-L767 PolarHBondContact O-N 3.32Å; I765-L767 VanDerWaalsContact C-N 3.33Å; I765-L767 PolarHBondContact O-N 2.95Å; L767-I770 HydrophobicContact CD2-CD1 4.02Å
768	Y	81.8	Confident	84.3	Confident	166 Å²	166	41.9 Å²	41.9	65%	0.651	23%	0.232	S	C	*	.	H	α-helix	trans	-73.9	-30.4	-180	-176.5	-97.2	0	0	0	112.7	V764 I765 G766	V764-Y768 PolarHBondContact O-N 3.29Å; V764-Y768 VanDerWaalsContact O-N 3.1Å; I765-Y768 PolarHBondContact O-N 3.43Å; I765-Y768 VanDerWaalsContact O-N 3.1Å; G766-Y768 VanDerWaalsContact C-N 3.31Å; G766-Y768 PolarHBondContact O-N 3.03Å
769	E	83.2	Confident	83.9	Confident	16 Å²	16	43.7 Å²	43.7	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-96.3	-9.7	-172.3	-63.7	-170.2	129.2	0	0	115	I765 G766 D771 G772 S773 T826 N828	I765-E769 PolarHBondContact O-N 2.67Å; G766-E769 PolarHBondContact O-N 2.92Å; E769-D771 PolarHBondContact O-N 3.44Å; E769-G772 PolarHBondContact O-N 3.21Å; E769-G772 VanDerWaalsContact O-N 3.1Å; E769-S773 PolarHBondContact O-N 2.75Å; E769-S773 VanDerWaalsContact O-N 3.13Å; E769-T826 WeakPolarHBondContact OE1-CB 3.41Å; E769-T826 PolarHBondContact OE1-OG1 2.99Å; E769-T826 VanDerWaalsContact OE1-OG1 3.07Å; E769-T826 VanDerWaalsContact OE2-CB 3.3Å; E769-T826 WeakPolarHBondContact OE2-CB 3.38Å; E769-T826 VanDerWaalsContact OE2-CG2 3.31Å; E769-T826 WeakPolarHBondContact OE2-CG2 3.46Å; E769-T826 PolarHBondContact OE2-OG1 3.43Å; E769-N828 WeakPolarHBondContact OE1-CB 3.35Å; E769-N828 PolarHBondContact OE1-ND2 3.33Å
770	I	77.7	Confident	83.5	Confident	50 Å²	50	45 Å²	45	26%	0.256	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-38	166	-65.5	163.5	0	0	0	110.9	G766 L767 G772 L778	G766-I770 WeakPolarHBondContact O-CG1 3.44Å; G766-I770 PolarHBondContact O-N 2.74Å; L767-I770 HydrophobicContact CD2-CD1 4.02Å; I770-G772 VanDerWaalsContact C-N 3.27Å; I770-G772 PolarHBondContact O-N 3.21Å; I770-L778 HydrophobicContact CD1-CD2 3.69Å; I770-L778 HydrophobicContact CG1-CD2 4.16Å
771	D	66.8	Low	83.5	Confident	62 Å²	62	45.5 Å²	45.5	33%	0.332	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.8	-175.3	-83.1	59.1	0	0	0	114.1	I706 E769 R793	I706-D771 WeakPolarHBondContact CG1-OD2 3.45Å; E769-D771 PolarHBondContact O-N 3.44Å; D771-R793 IonicContact OD1-CZ 3.81Å; D771-R793 VanDerWaalsContact OD1-CZ 3.24Å; D771-R793 IonicContact OD1-NH1 2.81Å; D771-R793 PolarHBondContact OD1-NH1 3.01Å; D771-R793 IonicContact OD1-NH2 2.69Å; D771-R793 PolarHBondContact OD1-NH2 3.28Å; D771-R793 IonicContact OD2-CZ 3.4Å; D771-R793 IonicContact OD2-NH1 3.23Å; D771-R793 PolarHBondContact OD2-NH1 3.47Å; D771-R793 IonicContact OD2-NH2 3.44Å; D771-R793 PolarHBondContact OD2-NH2 2.93Å
772	G	65.6	Low	83.3	Confident	70 Å²	70	41.5 Å²	41.5	72%	0.722	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-19.4	-170.6	0	0	0	0	0	116.7	E769 I770	E769-G772 PolarHBondContact O-N 3.21Å; E769-G772 VanDerWaalsContact O-N 3.1Å; I770-G772 VanDerWaalsContact C-N 3.27Å; I770-G772 PolarHBondContact O-N 3.21Å
773	S	66.4	Low	82.9	Confident	36 Å²	36	47.3 Å²	47.3	25%	0.252	25%	0.25	S	C	.	.			trans	-164.3	134.1	-179.1	59.6	0	0	0	0	115.7	E769 I775	E769-S773 PolarHBondContact O-N 2.75Å; E769-S773 VanDerWaalsContact O-N 3.13Å; S773-I775 PolarHBondContact O-N 2.93Å
774	D	73.3	Confident	82.7	Confident	130 Å²	130	53 Å²	53	70%	0.695	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	14	174.6	-48.7	-22	0	0	0	114.7	R783	D774-R783 PolarHBondContact O-NH2 2.89Å
775	I	83.7	Confident	82.7	Confident	102 Å²	102	54.7 Å²	54.7	52%	0.523	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-19.6	-164.1	-56.8	174.6	0	0	0	111.3	S773 N825	S773-I775 PolarHBondContact O-N 2.93Å; I775-N825 HydrophobicContact CG2-CB 3.91Å; I775-N825 WeakPolarHBondContact O-CB 3.35Å; I775-N825 PolarHBondContact O-ND2 3.17Å
776	G	86.7	Confident	82.5	Confident	6 Å²	6	62.5 Å²	62.5	6%	0.062	31%	0.312	C	S	.	.	S	Bend	trans	-64.1	158.2	-177.5	0	0	0	0	0	114.5	L778 E779 D780 E829	G776-L778 PolarHBondContact O-N 3.27Å; G776-L778 VanDerWaalsContact O-N 3.16Å; G776-E779 PolarHBondContact O-N 3.24Å; G776-E779 VanDerWaalsContact O-N 3.14Å; G776-D780 PolarHBondContact O-N 2.74Å; G776-D780 VanDerWaalsContact O-N 3.12Å; G776-E829 VanDerWaalsContact CA-OE1 3.32Å; G776-E829 WeakPolarHBondContact CA-OE1 3.42Å
777	W	91.8	Very high	82.4	Confident	6 Å²	6	64 Å²	64	2%	0.023	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-31.1	-172.8	80.9	-96.1	0	0	0	113.4	W762 Y763 L781 T805 A806 V822 E829	W762-W777 AromaticContact CD1-CE2 3.44Å; W762-W777 VanDerWaalsContact CD1-CE2 3.44Å; W762-W777 AromaticContact CD1-CH2 3.92Å; W762-W777 AromaticContact CD1-CZ2 3.4Å; W762-W777 AromaticContact CD1-NE1 3.74Å; W762-W777 AromaticContact CD2-NE1 3.87Å; W762-W777 AromaticContact CE2-CD1 3.49Å; W762-W777 VanDerWaalsContact CE2-CD1 3.49Å; W762-W777 AromaticContact CE2-CD2 3.8Å; W762-W777 AromaticContact CE2-CE2 3.75Å; W762-W777 AromaticContact CE2-CG 3.67Å; W762-W777 AromaticContact CE2-NE1 3.52Å; W762-W777 HydrophobicContact CG-CZ2 4.28Å; W762-W777 HydrophobicContact CH2-CG 4.42Å; W762-W777 HydrophobicContact CZ2-CB 3.78Å; W762-W777 AromaticContact CZ2-CD1 3.48Å; W762-W777 VanDerWaalsContact CZ2-CD1 3.48Å; W762-W777 HydrophobicContact CZ2-CD2 4.11Å; W762-W777 AromaticContact CZ2-CG 3.51Å; W762-W777 HydrophobicContact CZ2-CG 3.51Å; W762-W777 AromaticContact NE1-CD1 3.72Å; W762-W777 AromaticContact NE1-CD2 3.24Å; W762-W777 AromaticContact NE1-CE2 3.14Å; W762-W777 AromaticContact NE1-CE3 3.71Å; W762-W777 AromaticContact NE1-CG 3.65Å; W762-W777 AromaticContact NE1-CH2 3.99Å; W762-W777 AromaticContact NE1-CZ2 3.54Å; W762-W777 AromaticContact NE1-NE1 3.41Å; W762-W777 PolarHBondContact O-NE1 3.46Å; W762-W777 VanDerWaalsContact O-NE1 3.15Å; Y763-W777 HydrophobicContact CD2-CZ2 4.28Å; W777-L781 HydrophobicContact CZ3-CD2 3.9Å; W777-L781 WeakPolarHBondContact O-CB 3.38Å; W777-L781 PolarHBondContact O-N 2.89Å; W777-T805 HydrophobicContact CE3-CG2 4.38Å; W777-T805 HydrophobicContact CZ3-CG2 3.81Å; W777-A806 HydrophobicContact CH2-CB 3.94Å; W777-A806 HydrophobicContact CZ2-CB 4.35Å; W777-V822 HydrophobicContact CB-CG1 4.26Å; W777-V822 HydrophobicContact CE3-CG1 4.13Å; W777-E829 VanDerWaalsContact CD1-OE1 3.23Å; W777-E829 PolarHBondContact N-OE1 3.37Å
778	L	89	Confident	82.2	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-76.1	-34.5	-178.7	-161.6	77.1	0	0	0	112.3	Y763 I770 G776 L781 A782 F789 K802	Y763-L778 HydrophobicContact CD2-CD1 4.32Å; Y763-L778 HydrophobicContact CE2-CD1 4.14Å; Y763-L778 HydrophobicContact CE2-CD2 4.34Å; I770-L778 HydrophobicContact CD1-CD2 3.69Å; I770-L778 HydrophobicContact CG1-CD2 4.16Å; G776-L778 PolarHBondContact O-N 3.27Å; G776-L778 VanDerWaalsContact O-N 3.16Å; L778-L781 HydrophobicContact CD1-CD2 4.4Å; L778-L781 PolarHBondContact O-N 3.2Å; L778-A782 WeakPolarHBondContact O-CB 3.38Å; L778-A782 PolarHBondContact O-N 3.33Å; L778-F789 HydrophobicContact CD2-CE2 4.34Å; L778-F789 HydrophobicContact CD2-CZ 3.79Å; L778-F789 HydrophobicContact CG-CE2 4.37Å; L778-F789 HydrophobicContact CG-CZ 4.12Å; L778-K802 HydrophobicContact CD1-CG 4.28Å
779	E	85.6	Confident	82	Confident	47 Å²	47	59.6 Å²	59.6	22%	0.22	31%	0.312	C	S	.	.	H	α-helix	trans	-70.3	-42	173.6	-178	52.5	-137.2	0	0	110.2	G776 L781 A782 R783 F789	G776-E779 PolarHBondContact O-N 3.24Å; G776-E779 VanDerWaalsContact O-N 3.14Å; E779-L781 VanDerWaalsContact C-N 3.3Å; E779-L781 PolarHBondContact O-N 3.27Å; E779-A782 PolarHBondContact O-N 2.96Å; E779-R783 VanDerWaalsContact O-CB 3.26Å; E779-R783 WeakPolarHBondContact O-CB 3.41Å; E779-R783 PolarHBondContact O-N 2.89Å; E779-F789 VanDerWaalsContact OE2-CD2 3.31Å; E779-F789 WeakPolarHBondContact OE2-CD2 3.26Å
780	D	87.2	Confident	81.4	Confident	29 Å²	29	64.9 Å²	64.9	16%	0.155	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-32.7	174.1	-161.8	56.1	0	0	0	112.6	G776 R783 R784	G776-D780 PolarHBondContact O-N 2.74Å; G776-D780 VanDerWaalsContact O-N 3.12Å; D780-R783 IonicContact OD1-CZ 3.32Å; D780-R783 IonicContact OD1-NH1 2.97Å; D780-R783 PolarHBondContact OD1-NH1 3.41Å; D780-R784 WeakPolarHBondContact O-CB 3.4Å; D780-R784 WeakPolarHBondContact O-CG 3.45Å; D780-R784 PolarHBondContact O-N 2.97Å; D780-R784 IonicContact OD2-CZ 3.17Å; D780-R784 IonicContact OD2-NE 2.81Å; D780-R784 PolarHBondContact OD2-NE 3.23Å; D780-R784 IonicContact OD2-NH2 2.72Å; D780-R784 PolarHBondContact OD2-NH2 2.8Å
781	L	90.4	Very high	80.8	Confident	15 Å²	15	70 Å²	70	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-63.4	-48.9	169.4	177.6	62.7	0	0	0	111.9	W777 L778 E779 R783 R784 L785 P797 T805	W777-L781 HydrophobicContact CZ3-CD2 3.9Å; W777-L781 WeakPolarHBondContact O-CB 3.38Å; W777-L781 PolarHBondContact O-N 2.89Å; L778-L781 HydrophobicContact CD1-CD2 4.4Å; L778-L781 PolarHBondContact O-N 3.2Å; E779-L781 VanDerWaalsContact C-N 3.3Å; E779-L781 PolarHBondContact O-N 3.27Å; L781-R783 VanDerWaalsContact C-N 3.29Å; L781-R783 PolarHBondContact O-N 3.42Å; L781-R784 PolarHBondContact O-N 3.35Å; L781-L785 HydrophobicContact CD1-CD1 3.5Å; L781-L785 HydrophobicContact CD1-CG 3.92Å; L781-L785 HydrophobicContact CD2-CD1 4.46Å; L781-L785 HydrophobicContact CG-CD1 3.84Å; L781-L785 WeakPolarHBondContact O-CB 3.43Å; L781-L785 PolarHBondContact O-N 3.23Å; L781-P797 HydrophobicContact CD2-CG 4.16Å; L781-P797 HydrophobicContact CG-CG 4.36Å; L781-T805 HydrophobicContact CD1-CG2 3.91Å; L781-T805 HydrophobicContact CD2-CG2 3.94Å; L781-T805 HydrophobicContact CG-CG2 4.45Å
782	A	87	Confident	80.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-42.8	179.4	0	0	0	0	0	111.4	L778 E779 K786 S787 F789 P797	L778-A782 WeakPolarHBondContact O-CB 3.38Å; L778-A782 PolarHBondContact O-N 3.33Å; E779-A782 PolarHBondContact O-N 2.96Å; A782-K786 PolarHBondContact O-N 2.78Å; A782-K786 VanDerWaalsContact O-N 3.16Å; A782-S787 WeakPolarHBondContact CB-O 3.36Å; A782-S787 CarbonylContact O-C 3.6Å; A782-S787 PolarHBondContact O-N 3.46Å; A782-F789 HydrophobicContact CB-CD2 3.9Å; A782-F789 HydrophobicContact CB-CE2 3.65Å; A782-P797 HydrophobicContact CB-CG 4.49Å
783	R	85.5	Confident	80.4	Confident	122 Å²	122	72.6 Å²	72.6	46%	0.46	35%	0.353	S	S	.	.	H	α-helix	trans	-59.5	-52.2	172.6	-172.7	-173.4	-59.8	143.2	-2.8	112.4	D774 E779 D780 L781 L785 K786	D774-R783 PolarHBondContact O-NH2 2.89Å; E779-R783 VanDerWaalsContact O-CB 3.26Å; E779-R783 WeakPolarHBondContact O-CB 3.41Å; E779-R783 PolarHBondContact O-N 2.89Å; D780-R783 IonicContact OD1-CZ 3.32Å; D780-R783 IonicContact OD1-NH1 2.97Å; D780-R783 PolarHBondContact OD1-NH1 3.41Å; L781-R783 VanDerWaalsContact C-N 3.29Å; L781-R783 PolarHBondContact O-N 3.42Å; R783-L785 VanDerWaalsContact C-N 3.35Å; R783-L785 PolarHBondContact O-N 2.85Å; R783-K786 PolarHBondContact O-N 3.47Å; R783-K786 VanDerWaalsContact O-N 3.15Å
784	R	87.6	Confident	80.2	Confident	131 Å²	131	73.3 Å²	73.3	49%	0.494	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-39.4	178.3	-73.8	174.3	-163.5	-131.2	9.9	112.7	D780 L781 K786 N821	D780-R784 WeakPolarHBondContact O-CB 3.4Å; D780-R784 WeakPolarHBondContact O-CG 3.45Å; D780-R784 PolarHBondContact O-N 2.97Å; D780-R784 IonicContact OD2-CZ 3.17Å; D780-R784 IonicContact OD2-NE 2.81Å; D780-R784 PolarHBondContact OD2-NE 3.23Å; D780-R784 IonicContact OD2-NH2 2.72Å; D780-R784 PolarHBondContact OD2-NH2 2.8Å; L781-R784 PolarHBondContact O-N 3.35Å; R784-K786 VanDerWaalsContact C-N 3.25Å; R784-K786 PolarHBondContact O-N 3.22Å; R784-N821 VanDerWaalsContact CZ-O 3.31Å; R784-N821 PolarHBondContact NH1-O 3.13Å; R784-N821 VanDerWaalsContact NH1-O 3.09Å
785	L	88.2	Confident	80	Confident	80 Å²	80	69.7 Å²	69.7	42%	0.419	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	6.1	178.1	-69.5	174.7	0	0	0	113.9	L781 R783 S787 P797 S801	L781-L785 HydrophobicContact CD1-CD1 3.5Å; L781-L785 HydrophobicContact CD1-CG 3.92Å; L781-L785 HydrophobicContact CD2-CD1 4.46Å; L781-L785 HydrophobicContact CG-CD1 3.84Å; L781-L785 WeakPolarHBondContact O-CB 3.43Å; L781-L785 PolarHBondContact O-N 3.23Å; R783-L785 VanDerWaalsContact C-N 3.35Å; R783-L785 PolarHBondContact O-N 2.85Å; L785-S787 WeakPolarHBondContact CB-OG 3.39Å; L785-S787 PolarHBondContact O-N 2.9Å; L785-S787 VanDerWaalsContact O-N 3.08Å; L785-S787 PolarHBondContact O-OG 3.2Å; L785-P797 HydrophobicContact CD1-CB 3.83Å; L785-S801 VanDerWaalsContact CD1-OG 3.26Å; L785-S801 WeakPolarHBondContact CD1-OG 2.99Å
786	K	84.1	Confident	79.8	Confident	194 Å²	194	65.8 Å²	65.8	84%	0.843	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	30.7	-178.1	-55.3	-179.4	-179.3	179.3	0	113.4	A782 R783 R784 P788	A782-K786 PolarHBondContact O-N 2.78Å; A782-K786 VanDerWaalsContact O-N 3.16Å; R783-K786 PolarHBondContact O-N 3.47Å; R783-K786 VanDerWaalsContact O-N 3.15Å; R784-K786 VanDerWaalsContact C-N 3.25Å; R784-K786 PolarHBondContact O-N 3.22Å; K786-P788 WeakPolarHBondContact O-CD 3.46Å
787	S	85.5	Confident	79.7	Confident	35 Å²	35	65.7 Å²	65.7	25%	0.245	34%	0.335	C	S	.	.			trans	-126.7	60.3	179.1	36	0	0	0	0	109.7	A782 L785 G796	A782-S787 WeakPolarHBondContact CB-O 3.36Å; A782-S787 CarbonylContact O-C 3.6Å; A782-S787 PolarHBondContact O-N 3.46Å; L785-S787 WeakPolarHBondContact CB-OG 3.39Å; L785-S787 PolarHBondContact O-N 2.9Å; L785-S787 VanDerWaalsContact O-N 3.08Å; L785-S787 PolarHBondContact O-OG 3.2Å; S787-G796 CarbonylContact O-C 3.41Å; S787-G796 WeakPolarHBondContact O-CA 3.37Å
788	P	79.4	Confident	79.4	Confident	75 Å²	75	70.2 Å²	70.2	49%	0.487	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-61.4	156	179.6	29.2	-36.6	0	0	0	111.5	K786	K786-P788 WeakPolarHBondContact O-CD 3.46Å
789	F	77.4	Confident	79.1	Confident	43 Å²	43	74 Å²	74	19%	0.189	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-71.3	139.4	168.9	-59.8	-87.8	0	0	0	109.6	L778 E779 A782	L778-F789 HydrophobicContact CD2-CE2 4.34Å; L778-F789 HydrophobicContact CD2-CZ 3.79Å; L778-F789 HydrophobicContact CG-CE2 4.37Å; L778-F789 HydrophobicContact CG-CZ 4.12Å; E779-F789 VanDerWaalsContact OE2-CD2 3.31Å; E779-F789 WeakPolarHBondContact OE2-CD2 3.26Å; A782-F789 HydrophobicContact CB-CD2 3.9Å; A782-F789 HydrophobicContact CB-CE2 3.65Å
790	Q	70.1	Confident	79.1	Confident	126 Å²	126	73.2 Å²	73.2	59%	0.589	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-78.9	164.6	173.4	-60.2	168.8	-17.6	0	0	110	N792 R793 S794	Q790-N792 PolarHBondContact O-N 2.92Å; Q790-R793 VanDerWaalsContact O-CA 3.31Å; Q790-R793 WeakPolarHBondContact O-CA 3.3Å; Q790-R793 PolarHBondContact O-N 3.35Å; Q790-S794 WeakPolarHBondContact CB-O 3.36Å; Q790-S794 VanDerWaalsContact CG-O 3.24Å; Q790-S794 WeakPolarHBondContact CG-O 3.21Å; Q790-S794 PolarHBondContact N-O 3.1Å; Q790-S794 PolarHBondContact OE1-O 2.82Å; Q790-S794 PolarHBondContact OE1-OG 3.22Å
791	L	66.2	Low	79.3	Confident	158 Å²	158	73.2 Å²	73.2	83%	0.827	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-30	178.5	-77.1	154.8	0	0	0	114.2	R793	L791-R793 VanDerWaalsContact C-N 3.26Å; L791-R793 PolarHBondContact O-N 2.89Å
792	N	61.2	Low	79.3	Confident	87 Å²	87	73.4 Å²	73.4	47%	0.465	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	13.7	176.6	-64	9.1	0	0	0	113.2	Q790 S794	Q790-N792 PolarHBondContact O-N 2.92Å; N792-S794 PolarHBondContact O-N 2.93Å
793	R	62.4	Low	79.6	Confident	99 Å²	99	74.3 Å²	74.3	37%	0.374	39%	0.392	S	S	.	.	S	Bend	trans	54.8	15.7	-170.3	-58.1	-178.7	-176.3	163.2	-3.5	115.1	D771 Q790 L791	D771-R793 IonicContact OD1-CZ 3.81Å; D771-R793 VanDerWaalsContact OD1-CZ 3.24Å; D771-R793 IonicContact OD1-NH1 2.81Å; D771-R793 PolarHBondContact OD1-NH1 3.01Å; D771-R793 IonicContact OD1-NH2 2.69Å; D771-R793 PolarHBondContact OD1-NH2 3.28Å; D771-R793 IonicContact OD2-CZ 3.4Å; D771-R793 IonicContact OD2-NH1 3.23Å; D771-R793 PolarHBondContact OD2-NH1 3.47Å; D771-R793 IonicContact OD2-NH2 3.44Å; D771-R793 PolarHBondContact OD2-NH2 2.93Å; Q790-R793 VanDerWaalsContact O-CA 3.31Å; Q790-R793 WeakPolarHBondContact O-CA 3.3Å; Q790-R793 PolarHBondContact O-N 3.35Å; L791-R793 VanDerWaalsContact C-N 3.26Å; L791-R793 PolarHBondContact O-N 2.89Å
794	S	62.8	Low	80	Confident	51 Å²	51	75.1 Å²	75.1	36%	0.357	40%	0.399	S	S	.	.			trans	-78	142.9	167.9	45	0	0	0	0	110.9	Q790 N792	Q790-S794 WeakPolarHBondContact CB-O 3.36Å; Q790-S794 VanDerWaalsContact CG-O 3.24Å; Q790-S794 WeakPolarHBondContact CG-O 3.21Å; Q790-S794 PolarHBondContact N-O 3.1Å; Q790-S794 PolarHBondContact OE1-O 2.82Å; Q790-S794 PolarHBondContact OE1-OG 3.22Å; N792-S794 PolarHBondContact O-N 2.93Å
795	G	67.7	Low	80.2	Confident	55 Å²	55	70 Å²	70	57%	0.567	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	93.3	-150.6	-173.8	0	0	0	0	0	112.9
796	G	79.8	Confident	80.5	Confident	19 Å²	19	66.1 Å²	66.1	20%	0.196	36%	0.362	C	S	.	.			trans	93.6	177.7	-167.2	0	0	0	0	0	114	S787	S787-G796 CarbonylContact O-C 3.41Å; S787-G796 WeakPolarHBondContact O-CA 3.37Å
797	P	85	Confident	81	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.032	33%	0.331	C	S	.	.	S	Bend	trans	-70.9	158.4	177.1	28.7	-34.8	0	0	0	112.7	L781 A782 L785 K802	L781-P797 HydrophobicContact CD2-CG 4.16Å; L781-P797 HydrophobicContact CG-CG 4.36Å; A782-P797 HydrophobicContact CB-CG 4.49Å; L785-P797 HydrophobicContact CD1-CB 3.83Å; P797-K802 HydrophobicContact CG-CG 4.02Å; P797-K802 WeakPolarHBondContact O-CE 3.47Å
798	T	85.9	Confident	81.5	Confident	101 Å²	101	60.8 Å²	60.8	62%	0.62	34%	0.335	S	S	*	.			trans	-66.4	151.3	-178.1	65.1	0	0	0	0	112.8	G800 S801 K802	T798-G800 PolarHBondContact O-N 3.34Å; T798-S801 CarbonylContact O-C 3.53Å; T798-S801 WeakPolarHBondContact O-CA 3.34Å; T798-S801 WeakPolarHBondContact O-CB 3.37Å; T798-S801 PolarHBondContact O-N 3.17Å; T798-S801 WeakPolarHBondContact OG1-CB 3.08Å; T798-S801 PolarHBondContact OG1-N 3.21Å; T798-K802 WeakPolarHBondContact O-CG 3.29Å; T798-K802 PolarHBondContact O-N 2.84Å
799	E	81.7	Confident	82.2	Confident	81 Å²	81	57.7 Å²	57.7	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-56.1	-37.6	179	-51.5	-38.7	119.7	0	0	113.2	K802 Y803	E799-K802 PolarHBondContact O-N 3.34Å; E799-K802 IonicContact OE1-NZ 3.06Å; E799-K802 PolarHBondContact OE1-NZ 3.49Å; E799-K802 WeakPolarHBondContact OE2-CD 3.32Å; E799-K802 IonicContact OE2-NZ 2.74Å; E799-K802 PolarHBondContact OE2-NZ 3.35Å; E799-Y803 WeakPolarHBondContact O-CB 3.04Å; E799-Y803 PolarHBondContact O-N 3.39Å
800	G	86.9	Confident	83	Confident	32 Å²	32	55.6 Å²	55.6	33%	0.33	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-44.7	172.1	0	0	0	0	0	112.2	T798 Y803 F804	T798-G800 PolarHBondContact O-N 3.34Å; G800-Y803 PolarHBondContact O-N 3.08Å; G800-F804 WeakPolarHBondContact O-CB 3.44Å; G800-F804 WeakPolarHBondContact O-CD2 3.39Å; G800-F804 WeakPolarHBondContact O-CG 3.47Å; G800-F804 PolarHBondContact O-N 2.85Å
801	S	90	Very high	84.1	Confident	29 Å²	29	51.6 Å²	51.6	20%	0.203	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-42.9	177.2	-164.1	0	0	0	0	112.2	L785 T798 Y803 F804 T805	L785-S801 VanDerWaalsContact CD1-OG 3.26Å; L785-S801 WeakPolarHBondContact CD1-OG 2.99Å; T798-S801 CarbonylContact O-C 3.53Å; T798-S801 WeakPolarHBondContact O-CA 3.34Å; T798-S801 WeakPolarHBondContact O-CB 3.37Å; T798-S801 PolarHBondContact O-N 3.17Å; T798-S801 WeakPolarHBondContact OG1-CB 3.08Å; T798-S801 PolarHBondContact OG1-N 3.21Å; S801-Y803 VanDerWaalsContact C-N 3.34Å; S801-Y803 PolarHBondContact O-N 2.89Å; S801-F804 PolarHBondContact O-N 3.07Å; S801-T805 VanDerWaalsContact O-CB 3.29Å; S801-T805 WeakPolarHBondContact O-CB 3.39Å; S801-T805 PolarHBondContact O-N 3.25Å; S801-T805 PolarHBondContact O-OG1 2.71Å
802	K	90.6	Very high	85.4	Confident	18 Å²	18	44.5 Å²	44.5	8%	0.078	25%	0.253	C	S	.	.	H	α-helix	trans	-55.5	-49.6	175.1	-68.9	159.8	161.7	173.6	0	110.8	F588 Y763 L778 P797 T798 E799 A806	F588-K802 HydrophobicContact CE1-CB 4.27Å; Y763-K802 HydrophobicContact CD2-CB 4.38Å; Y763-K802 HydrophobicContact CE2-CB 3.98Å; Y763-K802 HydrophobicContact CE2-CD 4Å; Y763-K802 HydrophobicContact CE2-CG 4.14Å; L778-K802 HydrophobicContact CD1-CG 4.28Å; P797-K802 HydrophobicContact CG-CG 4.02Å; P797-K802 WeakPolarHBondContact O-CE 3.47Å; T798-K802 WeakPolarHBondContact O-CG 3.29Å; T798-K802 PolarHBondContact O-N 2.84Å; E799-K802 PolarHBondContact O-N 3.34Å; E799-K802 IonicContact OE1-NZ 3.06Å; E799-K802 PolarHBondContact OE1-NZ 3.49Å; E799-K802 WeakPolarHBondContact OE2-CD 3.32Å; E799-K802 IonicContact OE2-NZ 2.74Å; E799-K802 PolarHBondContact OE2-NZ 3.35Å; K802-A806 WeakPolarHBondContact O-CB 3.43Å; K802-A806 PolarHBondContact O-N 3.11Å
803	Y	92.8	Very high	86.9	Confident	20 Å²	20	41.1 Å²	41.1	8%	0.078	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-51.1	177.9	176.1	-106.1	0	0	0	112.7	F580 Y584 F588 H756 E799 G800 S801 T805 A806 L807	F580-Y803 WeakPolarHBondContact CZ-OH 3.28Å; Y584-Y803 HydrophobicContact CD2-CD2 4Å; Y584-Y803 HydrophobicContact CD2-CE2 4.12Å; Y584-Y803 HydrophobicContact CE2-CD2 4Å; Y584-Y803 HydrophobicContact CE2-CE2 4.46Å; Y584-Y803 HydrophobicContact CE2-CG 4.06Å; F588-Y803 HydrophobicContact CD2-CD2 4.24Å; F588-Y803 HydrophobicContact CE1-CD2 4.33Å; F588-Y803 AromaticContact CE2-CD2 3.66Å; F588-Y803 HydrophobicContact CE2-CD2 3.66Å; F588-Y803 HydrophobicContact CE2-CE2 4.41Å; F588-Y803 AromaticContact CZ-CD2 3.71Å; F588-Y803 HydrophobicContact CZ-CD2 3.71Å; F588-Y803 HydrophobicContact CZ-CG 4.4Å; H756-Y803 AromaticContact CE1-CE2 3.81Å; H756-Y803 AromaticContact ND1-CE2 3.55Å; H756-Y803 AromaticContact ND1-CZ 3.69Å; H756-Y803 PolarHBondContact ND1-OH 2.97Å; E799-Y803 WeakPolarHBondContact O-CB 3.04Å; E799-Y803 PolarHBondContact O-N 3.39Å; G800-Y803 PolarHBondContact O-N 3.08Å; S801-Y803 VanDerWaalsContact C-N 3.34Å; S801-Y803 PolarHBondContact O-N 2.89Å; Y803-T805 PolarHBondContact O-N 2.79Å; Y803-A806 PolarHBondContact O-N 2.69Å; Y803-L807 HydrophobicContact CE1-CD2 4.08Å; Y803-L807 WeakPolarHBondContact O-CB 3.47Å; Y803-L807 PolarHBondContact O-N 3.42Å
804	F	93.8	Very high	88.3	Confident	138 Å²	138	36.4 Å²	36.4	61%	0.605	22%	0.219	S	C	*	.	H	α-helix	trans	-67.3	-34.8	-177.3	-72.5	-54.7	0	0	0	112.7	G800 S801 Y808	G800-F804 WeakPolarHBondContact O-CB 3.44Å; G800-F804 WeakPolarHBondContact O-CD2 3.39Å; G800-F804 WeakPolarHBondContact O-CG 3.47Å; G800-F804 PolarHBondContact O-N 2.85Å; S801-F804 PolarHBondContact O-N 3.07Å; F804-Y808 WeakPolarHBondContact O-CB 3.32Å; F804-Y808 PolarHBondContact O-N 2.84Å
805	T	93.4	Very high	89.7	Confident	23 Å²	23	36.5 Å²	36.5	14%	0.141	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-41.6	173.5	-60	0	0	0	0	111.8	W777 L781 S801 Y803 Y808 F809 V822	W777-T805 HydrophobicContact CE3-CG2 4.38Å; W777-T805 HydrophobicContact CZ3-CG2 3.81Å; L781-T805 HydrophobicContact CD1-CG2 3.91Å; L781-T805 HydrophobicContact CD2-CG2 3.94Å; L781-T805 HydrophobicContact CG-CG2 4.45Å; S801-T805 VanDerWaalsContact O-CB 3.29Å; S801-T805 WeakPolarHBondContact O-CB 3.39Å; S801-T805 PolarHBondContact O-N 3.25Å; S801-T805 PolarHBondContact O-OG1 2.71Å; Y803-T805 PolarHBondContact O-N 2.79Å; T805-Y808 PolarHBondContact O-N 3.3Å; T805-F809 PolarHBondContact O-N 3.21Å; T805-V822 HydrophobicContact CG2-CG2 3.49Å; T805-V822 VanDerWaalsContact CG2-CG2 3.49Å
806	A	94.3	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-46.6	174.7	0	0	0	0	0	111.7	A759 W777 K802 Y803 Y808 F809 T810	A759-A806 HydrophobicContact CB-CB 4.2Å; W777-A806 HydrophobicContact CH2-CB 3.94Å; W777-A806 HydrophobicContact CZ2-CB 4.35Å; K802-A806 WeakPolarHBondContact O-CB 3.43Å; K802-A806 PolarHBondContact O-N 3.11Å; Y803-A806 PolarHBondContact O-N 2.69Å; A806-Y808 PolarHBondContact O-N 3.14Å; A806-F809 PolarHBondContact O-N 3.49Å; A806-T810 WeakPolarHBondContact O-CG2 3.18Å; A806-T810 PolarHBondContact O-N 2.85Å; A806-T810 VanDerWaalsContact O-N 3.07Å; A806-T810 PolarHBondContact O-OG1 3.03Å
807	L	94.7	Very high	91.4	Very high	38 Å²	38	41.1 Å²	41.1	20%	0.199	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-40.1	176.3	-173.7	68.9	0	0	0	112.1	A755 A759 Y803 T810 C811	A755-L807 HydrophobicContact CB-CD1 4.36Å; A759-L807 HydrophobicContact CB-CB 4.14Å; A759-L807 HydrophobicContact CB-CD1 4.11Å; Y803-L807 HydrophobicContact CE1-CD2 4.08Å; Y803-L807 WeakPolarHBondContact O-CB 3.47Å; Y803-L807 PolarHBondContact O-N 3.42Å; L807-T810 PolarHBondContact O-OG1 2.83Å; L807-C811 WeakPolarHBondContact O-CB 3.45Å; L807-C811 PolarHBondContact O-N 3.31Å; L807-C811 PolarHBondContact O-SG 2.72Å
808	Y	94.7	Very high	91.5	Very high	79 Å²	79	43.3 Å²	43.3	31%	0.31	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-47.7	175.4	165.5	-99.9	0	0	0	111.9	F804 T805 A806 S812 F819 N821 V822	F804-Y808 WeakPolarHBondContact O-CB 3.32Å; F804-Y808 PolarHBondContact O-N 2.84Å; T805-Y808 PolarHBondContact O-N 3.3Å; A806-Y808 PolarHBondContact O-N 3.14Å; Y808-S812 WeakPolarHBondContact O-CB 3.26Å; Y808-S812 PolarHBondContact O-N 3.13Å; Y808-S812 PolarHBondContact O-OG 2.96Å; Y808-F819 AromaticContact CE2-CD2 3.66Å; Y808-F819 HydrophobicContact CE2-CD2 3.66Å; Y808-F819 AromaticContact CE2-CE2 3.9Å; Y808-F819 HydrophobicContact CE2-CE2 3.9Å; Y808-F819 AromaticContact CZ-CD2 3.64Å; Y808-F819 WeakPolarHBondContact OH-CB 3.5Å; Y808-F819 VanDerWaalsContact OH-CD2 3.24Å; Y808-F819 WeakPolarHBondContact OH-CD2 3.19Å; Y808-F819 VanDerWaalsContact OH-CG 3.31Å; Y808-F819 WeakPolarHBondContact OH-CG 3.48Å; Y808-N821 HydrophobicContact CE1-CB 3.99Å; Y808-N821 PolarHBondContact OH-ND2 2.82Å; Y808-V822 HydrophobicContact CD1-CG2 4.24Å; Y808-V822 HydrophobicContact CE1-CG2 4.37Å
809	F	94.2	Very high	91.7	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.039	25%	0.254	C	S	.	.	H	α-helix	trans	-56.7	-57.6	175.9	172.8	-107.9	0	0	0	110.6	W762 T805 A806 C811 S812 S813 V822 A833	W762-F809 AromaticContact CD1-CD1 3.93Å; W762-F809 AromaticContact CD2-CD1 3.57Å; W762-F809 HydrophobicContact CD2-CD1 3.57Å; W762-F809 AromaticContact CD2-CE1 3.57Å; W762-F809 HydrophobicContact CD2-CE1 3.57Å; W762-F809 AromaticContact CE2-CD1 3.31Å; W762-F809 AromaticContact CE2-CE1 3.48Å; W762-F809 VanDerWaalsContact CE2-CE1 3.48Å; W762-F809 AromaticContact CE2-CG 3.96Å; W762-F809 HydrophobicContact CE3-CD1 4.15Å; W762-F809 AromaticContact CE3-CE1 3.66Å; W762-F809 HydrophobicContact CE3-CE1 3.66Å; W762-F809 AromaticContact CG-CD1 3.92Å; W762-F809 HydrophobicContact CG-CD1 3.92Å; W762-F809 HydrophobicContact CG-CE1 4.33Å; W762-F809 HydrophobicContact CH2-CD1 4.2Å; W762-F809 AromaticContact CH2-CE1 3.51Å; W762-F809 HydrophobicContact CH2-CE1 3.51Å; W762-F809 HydrophobicContact CH2-CE2 4.39Å; W762-F809 AromaticContact CH2-CZ 3.62Å; W762-F809 HydrophobicContact CH2-CZ 3.62Å; W762-F809 AromaticContact CZ2-CD1 3.67Å; W762-F809 HydrophobicContact CZ2-CD1 3.67Å; W762-F809 HydrophobicContact CZ2-CD2 4.39Å; W762-F809 AromaticContact CZ2-CE1 3.47Å; W762-F809 HydrophobicContact CZ2-CE1 3.47Å; W762-F809 VanDerWaalsContact CZ2-CE1 3.47Å; W762-F809 HydrophobicContact CZ2-CE2 4.21Å; W762-F809 HydrophobicContact CZ2-CG 4.13Å; W762-F809 AromaticContact CZ2-CZ 3.76Å; W762-F809 HydrophobicContact CZ2-CZ 3.76Å; W762-F809 HydrophobicContact CZ3-CD1 4.42Å; W762-F809 AromaticContact CZ3-CE1 3.61Å; W762-F809 HydrophobicContact CZ3-CE1 3.61Å; W762-F809 HydrophobicContact CZ3-CZ 4.03Å; W762-F809 AromaticContact NE1-CD1 3.56Å; W762-F809 AromaticContact NE1-CG 3.96Å; T805-F809 PolarHBondContact O-N 3.21Å; A806-F809 PolarHBondContact O-N 3.49Å; F809-C811 PolarHBondContact O-N 3.44Å; F809-S812 PolarHBondContact O-N 3.18Å; F809-S812 PolarHBondContact O-OG 3.15Å; F809-S813 PolarHBondContact O-N 3.31Å; F809-S813 PolarHBondContact O-OG 3.03Å; F809-V822 HydrophobicContact CB-CB 4.08Å; F809-V822 HydrophobicContact CB-CG1 3.96Å; F809-V822 HydrophobicContact CD2-CB 3.9Å; F809-V822 HydrophobicContact CD2-CG1 3.82Å; F809-V822 WeakPolarHBondContact CD2-O 3.43Å; F809-V822 HydrophobicContact CG-CB 4.32Å; F809-V822 HydrophobicContact CG-CG1 3.99Å; F809-A833 HydrophobicContact CZ-CB 4.3Å
810	T	94.9	Very high	91.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-36.5	-174.9	58.4	0	0	0	0	112.8	A755 C758 W762 A806 L807 S813 L814 I836	A755-T810 PolarHBondContact O-OG1 3.21Å; C758-T810 HydrophobicContact CB-CG2 3.88Å; W762-T810 HydrophobicContact CB-CG2 4.16Å; W762-T810 HydrophobicContact CG-CG2 4.49Å; A806-T810 WeakPolarHBondContact O-CG2 3.18Å; A806-T810 PolarHBondContact O-N 2.85Å; A806-T810 VanDerWaalsContact O-N 3.07Å; A806-T810 PolarHBondContact O-OG1 3.03Å; L807-T810 PolarHBondContact O-OG1 2.83Å; T810-S813 PolarHBondContact O-N 3.27Å; T810-L814 VanDerWaalsContact O-CB 3.27Å; T810-L814 WeakPolarHBondContact O-CB 3.37Å; T810-L814 WeakPolarHBondContact O-CG 2.97Å; T810-L814 PolarHBondContact O-N 3.42Å; T810-I836 HydrophobicContact CG2-CD1 3.66Å
811	C	93.3	Very high	91.9	Very high	41 Å²	41	45.6 Å²	45.6	28%	0.277	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-48.3	169.3	-78.1	0	0	0	0	111.3	L807 F809 S813 L814 T815	L807-C811 WeakPolarHBondContact O-CB 3.45Å; L807-C811 PolarHBondContact O-N 3.31Å; L807-C811 PolarHBondContact O-SG 2.72Å; F809-C811 PolarHBondContact O-N 3.44Å; C811-S813 VanDerWaalsContact C-N 3.29Å; C811-S813 PolarHBondContact O-N 3.12Å; C811-L814 PolarHBondContact O-N 3.27Å; C811-T815 WeakPolarHBondContact O-CG2 3.36Å; C811-T815 PolarHBondContact O-N 2.87Å; C811-T815 PolarHBondContact O-OG1 3.27Å
812	S	93.5	Very high	91.9	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-30	-178	78.1	0	0	0	0	113.6	Y808 F809 T815 S816 V817 G818	Y808-S812 WeakPolarHBondContact O-CB 3.26Å; Y808-S812 PolarHBondContact O-N 3.13Å; Y808-S812 PolarHBondContact O-OG 2.96Å; F809-S812 PolarHBondContact O-N 3.18Å; F809-S812 PolarHBondContact O-OG 3.15Å; S812-T815 PolarHBondContact O-OG1 3.41Å; S812-S816 PolarHBondContact O-N 2.9Å; S812-V817 PolarHBondContact O-N 2.95Å; S812-G818 PolarHBondContact O-N 3.38Å
813	S	92.9	Very high	91.8	Very high	17 Å²	17	46.5 Å²	46.5	12%	0.119	28%	0.275	C	S	.	.	H	α-helix	trans	-79.2	-40	173.4	-57	0	0	0	0	112.2	F809 T810 C811 S816 I836	F809-S813 PolarHBondContact O-N 3.31Å; F809-S813 PolarHBondContact O-OG 3.03Å; T810-S813 PolarHBondContact O-N 3.27Å; C811-S813 VanDerWaalsContact C-N 3.29Å; C811-S813 PolarHBondContact O-N 3.12Å; S813-S816 PolarHBondContact O-N 3.31Å; S813-S816 VanDerWaalsContact O-N 3.13Å; S813-I836 VanDerWaalsContact CB-CG2 3.45Å
814	L	92.1	Very high	91.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.5	-29.2	177	-72.6	171	0	0	0	113.1	F751 V754 A755 T810 C811 S816 I836 L839	F751-L814 HydrophobicContact CE2-CB 3.81Å; F751-L814 HydrophobicContact CZ-CB 3.63Å; V754-L814 HydrophobicContact CG1-CD1 4.4Å; A755-L814 HydrophobicContact CB-CD1 3.7Å; T810-L814 VanDerWaalsContact O-CB 3.27Å; T810-L814 WeakPolarHBondContact O-CB 3.37Å; T810-L814 WeakPolarHBondContact O-CG 2.97Å; T810-L814 PolarHBondContact O-N 3.42Å; C811-L814 PolarHBondContact O-N 3.27Å; L814-S816 VanDerWaalsContact C-N 3.32Å; L814-I836 HydrophobicContact CD2-CG2 3.95Å; L814-I836 HydrophobicContact CG-CG2 3.93Å; L814-L839 HydrophobicContact CD2-CB 4.49Å; L814-L839 HydrophobicContact CD2-CD2 4.44Å; L814-L839 HydrophobicContact CD2-CG 4.23Å
815	T	91.4	Very high	91.6	Very high	52 Å²	52	42.3 Å²	42.3	32%	0.319	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.9	170.6	60.5	0	0	0	0	113.5	F751 C811 S812 V817	F751-T815 HydrophobicContact CE1-CG2 4.19Å; F751-T815 HydrophobicContact CZ-CG2 3.65Å; C811-T815 WeakPolarHBondContact O-CG2 3.36Å; C811-T815 PolarHBondContact O-N 2.87Å; C811-T815 PolarHBondContact O-OG1 3.27Å; S812-T815 PolarHBondContact O-OG1 3.41Å; T815-V817 PolarHBondContact O-N 3.26Å; T815-V817 WeakPolarHBondContact OG1-CG2 3.42Å
816	S	90.5	Very high	91.5	Very high	91 Å²	91	41.9 Å²	41.9	64%	0.636	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	20.3	-175.5	63.2	0	0	0	0	116	S812 S813 L814	S812-S816 PolarHBondContact O-N 2.9Å; S813-S816 PolarHBondContact O-N 3.31Å; S813-S816 VanDerWaalsContact O-N 3.13Å; L814-S816 VanDerWaalsContact C-N 3.32Å
817	V	92	Very high	91.4	Very high	81 Å²	81	46.8 Å²	46.8	49%	0.491	29%	0.291	S	S	.	.			trans	-80.8	-36.5	179.3	176.1	0	0	0	0	112.5	S812 T815 F819	S812-V817 PolarHBondContact O-N 2.95Å; T815-V817 PolarHBondContact O-N 3.26Å; T815-V817 WeakPolarHBondContact OG1-CG2 3.42Å; V817-F819 HydrophobicContact CG1-CD1 3.99Å; V817-F819 HydrophobicContact CG1-CD2 4.03Å; V817-F819 HydrophobicContact CG1-CE1 3.66Å; V817-F819 HydrophobicContact CG1-CE2 3.71Å; V817-F819 HydrophobicContact CG1-CG 4.16Å; V817-F819 HydrophobicContact CG1-CZ 3.51Å; V817-F819 PolarHBondContact O-N 3.39Å
818	G	87.7	Confident	91.1	Very high	51 Å²	51	48.7 Å²	48.7	53%	0.526	30%	0.301	S	S	.	.			trans	56.4	46.7	165.7	0	0	0	0	0	116.9	S812 G820	S812-G818 PolarHBondContact O-N 3.38Å; G818-G820 PolarHBondContact O-N 2.92Å
819	F	90.7	Very high	91.1	Very high	122 Å²	122	44.9 Å²	44.9	54%	0.535	29%	0.286	S	S	.	.			trans	-54	-15.1	-173.3	-67.7	-70.7	0	0	0	117.6	Y808 V817 N821	Y808-F819 AromaticContact CE2-CD2 3.66Å; Y808-F819 HydrophobicContact CE2-CD2 3.66Å; Y808-F819 AromaticContact CE2-CE2 3.9Å; Y808-F819 HydrophobicContact CE2-CE2 3.9Å; Y808-F819 AromaticContact CZ-CD2 3.64Å; Y808-F819 WeakPolarHBondContact OH-CB 3.5Å; Y808-F819 VanDerWaalsContact OH-CD2 3.24Å; Y808-F819 WeakPolarHBondContact OH-CD2 3.19Å; Y808-F819 VanDerWaalsContact OH-CG 3.31Å; Y808-F819 WeakPolarHBondContact OH-CG 3.48Å; V817-F819 HydrophobicContact CG1-CD1 3.99Å; V817-F819 HydrophobicContact CG1-CD2 4.03Å; V817-F819 HydrophobicContact CG1-CE1 3.66Å; V817-F819 HydrophobicContact CG1-CE2 3.71Å; V817-F819 HydrophobicContact CG1-CG 4.16Å; V817-F819 HydrophobicContact CG1-CZ 3.51Å; V817-F819 PolarHBondContact O-N 3.39Å; F819-N821 PolarHBondContact O-N 2.89Å
820	G	85.7	Confident	91.1	Very high	48 Å²	48	49.5 Å²	49.5	50%	0.495	31%	0.306	S	S	.	.	S	Bend	trans	72.9	-9.5	179	0	0	0	0	0	116.6	G818 V822	G818-G820 PolarHBondContact O-N 2.92Å; G820-V822 PolarHBondContact O-N 3.11Å
821	N	87	Confident	91.1	Very high	92 Å²	92	54 Å²	54	49%	0.492	33%	0.329	S	S	.	.	S	Bend	trans	-61.5	-26.7	175.8	-77	-34.9	0	0	0	113.9	R784 Y808 F819	R784-N821 VanDerWaalsContact CZ-O 3.31Å; R784-N821 PolarHBondContact NH1-O 3.13Å; R784-N821 VanDerWaalsContact NH1-O 3.09Å; Y808-N821 HydrophobicContact CE1-CB 3.99Å; Y808-N821 PolarHBondContact OH-ND2 2.82Å; F819-N821 PolarHBondContact O-N 2.89Å
822	V	89.9	Confident	91.2	Very high	22 Å²	22	53.4 Å²	53.4	13%	0.133	32%	0.322	C	S	.	.	S	Bend	trans	-128.1	131.7	167.4	-177	0	0	0	0	105.9	W762 W777 T805 Y808 F809 G820	W762-V822 HydrophobicContact CZ2-CG1 4.18Å; W777-V822 HydrophobicContact CB-CG1 4.26Å; W777-V822 HydrophobicContact CE3-CG1 4.13Å; T805-V822 HydrophobicContact CG2-CG2 3.49Å; T805-V822 VanDerWaalsContact CG2-CG2 3.49Å; Y808-V822 HydrophobicContact CD1-CG2 4.24Å; Y808-V822 HydrophobicContact CE1-CG2 4.37Å; F809-V822 HydrophobicContact CB-CB 4.08Å; F809-V822 HydrophobicContact CB-CG1 3.96Å; F809-V822 HydrophobicContact CD2-CB 3.9Å; F809-V822 HydrophobicContact CD2-CG1 3.82Å; F809-V822 WeakPolarHBondContact CD2-O 3.43Å; F809-V822 HydrophobicContact CG-CB 4.32Å; F809-V822 HydrophobicContact CG-CG1 3.99Å; G820-V822 PolarHBondContact O-N 3.11Å
823	S	88.6	Confident	91.2	Very high	44 Å²	44	53.6 Å²	53.6	31%	0.308	32%	0.324	S	S	.	.			trans	-137.7	151.8	-173.1	55.2	0	0	0	0	111	N825	S823-N825 PolarHBondContact O-N 2.8Å; S823-N825 PolarHBondContact O-OD1 3.46Å; S823-N825 PolarHBondContact OG-OD1 2.88Å
824	A	91.9	Very high	91.3	Very high	23 Å²	23	57.8 Å²	57.8	19%	0.19	34%	0.344	C	S	.	.			trans	-81.8	111.2	173.6	0	0	0	0	0	110.3	W762 E829 K830 A833	W762-A824 HydrophobicContact CH2-CB 4.19Å; A824-E829 HydrophobicContact CB-CB 3.74Å; A824-K830 HydrophobicContact CB-CB 4.5Å; A824-K830 HydrophobicContact CB-CG 3.89Å; A824-K830 WeakPolarHBondContact O-CE 3.47Å; A824-A833 HydrophobicContact CB-CB 3.85Å
825	N	90.6	Very high	91.4	Very high	47 Å²	47	61.3 Å²	61.3	25%	0.251	37%	0.368	S	S	.	.			trans	-102.9	-41	-175.2	-58	-18.7	0	0	0	111.1	I775 S823 E829 K830	I775-N825 HydrophobicContact CG2-CB 3.91Å; I775-N825 WeakPolarHBondContact O-CB 3.35Å; I775-N825 PolarHBondContact O-ND2 3.17Å; S823-N825 PolarHBondContact O-N 2.8Å; S823-N825 PolarHBondContact O-OD1 3.46Å; S823-N825 PolarHBondContact OG-OD1 2.88Å; N825-E829 WeakPolarHBondContact CA-OE2 3.47Å; N825-E829 PolarHBondContact N-OE2 2.75Å; N825-K830 VanDerWaalsContact O-CE 3.28Å; N825-K830 WeakPolarHBondContact O-CE 3.3Å; N825-K830 PolarHBondContact O-NZ 2.84Å
826	T	90.8	Very high	91.5	Very high	14 Å²	14	59 Å²	59	9%	0.086	35%	0.353	C	S	.	.	S	Bend	trans	-81.7	169.9	178.7	76.1	0	0	0	0	112.4	E769 E829 K830	E769-T826 WeakPolarHBondContact OE1-CB 3.41Å; E769-T826 PolarHBondContact OE1-OG1 2.99Å; E769-T826 VanDerWaalsContact OE1-OG1 3.07Å; E769-T826 VanDerWaalsContact OE2-CB 3.3Å; E769-T826 WeakPolarHBondContact OE2-CB 3.38Å; E769-T826 VanDerWaalsContact OE2-CG2 3.31Å; E769-T826 WeakPolarHBondContact OE2-CG2 3.46Å; E769-T826 PolarHBondContact OE2-OG1 3.43Å; T826-E829 HydrophobicContact CG2-CG 4.45Å; T826-E829 PolarHBondContact N-OE2 3.49Å; T826-E829 VanDerWaalsContact OG1-CB 3.24Å; T826-E829 WeakPolarHBondContact OG1-CB 3.47Å; T826-E829 WeakPolarHBondContact OG1-CG 3.34Å; T826-E829 PolarHBondContact OG1-N 3.45Å; T826-E829 VanDerWaalsContact OG1-N 3.08Å; T826-E829 PolarHBondContact OG1-OE2 3.27Å; T826-K830 VanDerWaalsContact O-CB 3.31Å; T826-K830 WeakPolarHBondContact O-CB 3.37Å; T826-K830 VanDerWaalsContact O-CD 3.27Å; T826-K830 WeakPolarHBondContact O-CD 3.46Å; T826-K830 WeakPolarHBondContact O-CG 3.41Å; T826-K830 PolarHBondContact O-N 3.46Å
827	T	91.3	Very high	91.6	Very high	103 Å²	103	59.9 Å²	59.9	63%	0.632	35%	0.348	S	S	*	.	H	α-helix	trans	-67.1	-40.6	176.4	-55.3	0	0	0	0	112.1	K830 I831	T827-K830 PolarHBondContact O-N 2.82Å; T827-I831 HydrophobicContact CG2-CD1 4.04Å; T827-I831 VanDerWaalsContact O-CG1 3.31Å; T827-I831 WeakPolarHBondContact O-CG1 3.3Å; T827-I831 PolarHBondContact O-N 3.27Å
828	N	90.3	Very high	91.7	Very high	77 Å²	77	61.5 Å²	61.5	41%	0.412	35%	0.354	S	S	.	.	H	α-helix	trans	-72.6	-41.8	-178.4	-58.4	-57.3	0	0	0	111.1	I765 E769 K830 I831 F832	I765-N828 HydrophobicContact CG2-CB 4.44Å; E769-N828 WeakPolarHBondContact OE1-CB 3.35Å; E769-N828 PolarHBondContact OE1-ND2 3.33Å; N828-K830 VanDerWaalsContact C-N 3.29Å; N828-K830 PolarHBondContact O-N 3.5Å; N828-I831 PolarHBondContact O-N 3.21Å; N828-F832 WeakPolarHBondContact O-CB 3.35Å; N828-F832 PolarHBondContact O-N 3.46Å
829	E	93.7	Very high	91.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-55.6	-44.2	170.2	-73.1	169	173	0	0	111.6	W762 I765 G776 W777 A824 N825 T826 F832 A833	W762-E829 HydrophobicContact CH2-CB 3.75Å; W762-E829 HydrophobicContact CH2-CG 3.71Å; W762-E829 HydrophobicContact CZ3-CB 3.77Å; W762-E829 HydrophobicContact CZ3-CG 3.81Å; I765-E829 HydrophobicContact CG2-CG 4.11Å; G776-E829 VanDerWaalsContact CA-OE1 3.32Å; G776-E829 WeakPolarHBondContact CA-OE1 3.42Å; W777-E829 VanDerWaalsContact CD1-OE1 3.23Å; W777-E829 PolarHBondContact N-OE1 3.37Å; A824-E829 HydrophobicContact CB-CB 3.74Å; N825-E829 WeakPolarHBondContact CA-OE2 3.47Å; N825-E829 PolarHBondContact N-OE2 2.75Å; T826-E829 HydrophobicContact CG2-CG 4.45Å; T826-E829 PolarHBondContact N-OE2 3.49Å; T826-E829 VanDerWaalsContact OG1-CB 3.24Å; T826-E829 WeakPolarHBondContact OG1-CB 3.47Å; T826-E829 WeakPolarHBondContact OG1-CG 3.34Å; T826-E829 PolarHBondContact OG1-N 3.45Å; T826-E829 VanDerWaalsContact OG1-N 3.08Å; T826-E829 PolarHBondContact OG1-OE2 3.27Å; E829-F832 PolarHBondContact O-N 2.82Å; E829-A833 VanDerWaalsContact O-CB 3.32Å; E829-A833 WeakPolarHBondContact O-CB 3.28Å; E829-A833 PolarHBondContact O-N 3.44Å
830	K	94.1	Very high	92	Very high	105 Å²	105	56.4 Å²	56.4	46%	0.457	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-43.5	-179.3	-78	165.4	-179.3	156.1	0	112.4	A824 N825 T826 T827 N828 F832 A833 I834	A824-K830 HydrophobicContact CB-CB 4.5Å; A824-K830 HydrophobicContact CB-CG 3.89Å; A824-K830 WeakPolarHBondContact O-CE 3.47Å; N825-K830 VanDerWaalsContact O-CE 3.28Å; N825-K830 WeakPolarHBondContact O-CE 3.3Å; N825-K830 PolarHBondContact O-NZ 2.84Å; T826-K830 VanDerWaalsContact O-CB 3.31Å; T826-K830 WeakPolarHBondContact O-CB 3.37Å; T826-K830 VanDerWaalsContact O-CD 3.27Å; T826-K830 WeakPolarHBondContact O-CD 3.46Å; T826-K830 WeakPolarHBondContact O-CG 3.41Å; T826-K830 PolarHBondContact O-N 3.46Å; T827-K830 PolarHBondContact O-N 2.82Å; N828-K830 VanDerWaalsContact C-N 3.29Å; N828-K830 PolarHBondContact O-N 3.5Å; K830-F832 VanDerWaalsContact C-N 3.33Å; K830-F832 PolarHBondContact O-N 3.16Å; K830-A833 PolarHBondContact O-N 3.48Å; K830-I834 VanDerWaalsContact O-CG1 3.31Å; K830-I834 WeakPolarHBondContact O-CG1 3.47Å; K830-I834 PolarHBondContact O-N 2.98Å
831	I	95.2	Very high	92.3	Very high	95 Å²	95	57 Å²	57	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-46.9	174.3	-69.8	164.9	0	0	0	110	T827 N828 I834 C835	T827-I831 HydrophobicContact CG2-CD1 4.04Å; T827-I831 VanDerWaalsContact O-CG1 3.31Å; T827-I831 WeakPolarHBondContact O-CG1 3.3Å; T827-I831 PolarHBondContact O-N 3.27Å; N828-I831 PolarHBondContact O-N 3.21Å; I831-I834 PolarHBondContact O-N 3.49Å; I831-C835 PolarHBondContact O-N 3.4Å; I831-C835 PolarHBondContact O-SG 3.01Å
832	F	94.8	Very high	92.5	Very high	29 Å²	29	58 Å²	58	13%	0.127	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-39	179	-177.9	-100.5	0	0	0	113.1	C758 I761 W762 I765 N828 E829 K830 I834 C835 I836	C758-F832 WeakPolarHBondContact O-CZ 3.41Å; I761-F832 HydrophobicContact CB-CE2 3.88Å; I761-F832 HydrophobicContact CB-CZ 3.88Å; I761-F832 HydrophobicContact CG2-CD2 4.09Å; I761-F832 HydrophobicContact CG2-CE2 3.36Å; I761-F832 HydrophobicContact CG2-CZ 3.8Å; W762-F832 HydrophobicContact CB-CE1 3.87Å; W762-F832 HydrophobicContact CB-CZ 4.42Å; W762-F832 HydrophobicContact CD2-CD1 4.43Å; W762-F832 HydrophobicContact CD2-CE1 4.3Å; W762-F832 AromaticContact CE3-CD1 3.38Å; W762-F832 HydrophobicContact CE3-CD1 3.38Å; W762-F832 AromaticContact CE3-CE1 3.64Å; W762-F832 HydrophobicContact CE3-CE1 3.64Å; W762-F832 HydrophobicContact CE3-CG 4.45Å; W762-F832 HydrophobicContact CG-CE1 4.45Å; W762-F832 AromaticContact CZ3-CD1 3.86Å; W762-F832 HydrophobicContact CZ3-CD1 3.86Å; I765-F832 HydrophobicContact CD1-CB 3.66Å; I765-F832 HydrophobicContact CD1-CD1 3.9Å; I765-F832 HydrophobicContact CD1-CD2 3.57Å; I765-F832 HydrophobicContact CD1-CE1 4.36Å; I765-F832 HydrophobicContact CD1-CE2 4.11Å; I765-F832 HydrophobicContact CD1-CG 3.43Å; I765-F832 VanDerWaalsContact CD1-CG 3.43Å; I765-F832 HydrophobicContact CD1-CZ 4.45Å; N828-F832 WeakPolarHBondContact O-CB 3.35Å; N828-F832 PolarHBondContact O-N 3.46Å; E829-F832 PolarHBondContact O-N 2.82Å; K830-F832 VanDerWaalsContact C-N 3.33Å; K830-F832 PolarHBondContact O-N 3.16Å; F832-I834 VanDerWaalsContact C-N 3.35Å; F832-I834 PolarHBondContact O-N 2.87Å; F832-C835 WeakPolarHBondContact O-CB 3.4Å; F832-C835 PolarHBondContact O-N 2.85Å; F832-I836 HydrophobicContact CD1-CD1 3.91Å; F832-I836 HydrophobicContact CD1-CG1 4.33Å; F832-I836 HydrophobicContact CE1-CD1 3.22Å; F832-I836 HydrophobicContact CE1-CG1 3.98Å; F832-I836 HydrophobicContact CE2-CD1 4.43Å; F832-I836 HydrophobicContact CZ-CD1 3.54Å; F832-I836 HydrophobicContact CZ-CG1 4.1Å; F832-I836 PolarHBondContact O-N 3.47Å
833	A	93.9	Very high	92.4	Very high	12 Å²	12	58.3 Å²	58.3	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-40.3	174.2	0	0	0	0	0	112	F809 A824 E829 K830 I836 M837	F809-A833 HydrophobicContact CZ-CB 4.3Å; A824-A833 HydrophobicContact CB-CB 3.85Å; E829-A833 VanDerWaalsContact O-CB 3.32Å; E829-A833 WeakPolarHBondContact O-CB 3.28Å; E829-A833 PolarHBondContact O-N 3.44Å; K830-A833 PolarHBondContact O-N 3.48Å; A833-I836 PolarHBondContact O-N 3.27Å; A833-M837 WeakPolarHBondContact O-CG 3.35Å; A833-M837 PolarHBondContact O-N 2.93Å
834	I	94.4	Very high	92.3	Very high	106 Å²	106	59.7 Å²	59.7	54%	0.544	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-44.6	172.8	-68.3	163.1	0	0	0	110.6	K830 I831 F832 I836 M837 L838	K830-I834 VanDerWaalsContact O-CG1 3.31Å; K830-I834 WeakPolarHBondContact O-CG1 3.47Å; K830-I834 PolarHBondContact O-N 2.98Å; I831-I834 PolarHBondContact O-N 3.49Å; F832-I834 VanDerWaalsContact C-N 3.35Å; F832-I834 PolarHBondContact O-N 2.87Å; I834-I836 PolarHBondContact O-N 3.24Å; I834-M837 HydrophobicContact CG1-CE 4.16Å; I834-M837 PolarHBondContact O-N 2.92Å; I834-L838 PolarHBondContact O-N 2.93Å; I834-L838 VanDerWaalsContact O-N 3.08Å
835	C	94.7	Very high	92.3	Very high	74 Å²	74	61.6 Å²	61.6	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-42.8	175.5	-64.9	0	0	0	0	112.5	I831 F832 L839	I831-C835 PolarHBondContact O-N 3.4Å; I831-C835 PolarHBondContact O-SG 3.01Å; F832-C835 WeakPolarHBondContact O-CB 3.4Å; F832-C835 PolarHBondContact O-N 2.85Å; C835-L839 VanDerWaalsContact O-CB 3.31Å; C835-L839 WeakPolarHBondContact O-CB 3.49Å; C835-L839 PolarHBondContact O-N 3.37Å
836	I	93.7	Very high	92	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.015	35%	0.349	C	S	.	.	H	α-helix	trans	-67.1	-40.4	176.2	-72.5	-170.5	0	0	0	112	C758 T810 S813 L814 F832 A833 I834 L838 L839 G840	C758-I836 HydrophobicContact CB-CD1 3.72Å; C758-I836 HydrophobicContact CB-CG1 4.49Å; T810-I836 HydrophobicContact CG2-CD1 3.66Å; S813-I836 VanDerWaalsContact CB-CG2 3.45Å; L814-I836 HydrophobicContact CD2-CG2 3.95Å; L814-I836 HydrophobicContact CG-CG2 3.93Å; F832-I836 HydrophobicContact CD1-CD1 3.91Å; F832-I836 HydrophobicContact CD1-CG1 4.33Å; F832-I836 HydrophobicContact CE1-CD1 3.22Å; F832-I836 HydrophobicContact CE1-CG1 3.98Å; F832-I836 HydrophobicContact CE2-CD1 4.43Å; F832-I836 HydrophobicContact CZ-CD1 3.54Å; F832-I836 HydrophobicContact CZ-CG1 4.1Å; F832-I836 PolarHBondContact O-N 3.47Å; A833-I836 PolarHBondContact O-N 3.27Å; I834-I836 PolarHBondContact O-N 3.24Å; I836-L838 VanDerWaalsContact C-N 3.34Å; I836-L838 PolarHBondContact O-N 3.43Å; I836-L839 PolarHBondContact O-N 3.16Å; I836-G840 WeakPolarHBondContact O-CA 3.45Å; I836-G840 PolarHBondContact O-N 3.31Å
837	M	92.9	Very high	91.8	Very high	109 Å²	109	62.6 Å²	62.6	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-41	178.4	-73.6	-175.1	-65.7	0	0	111.8	A833 I834 G840 A841	A833-M837 WeakPolarHBondContact O-CG 3.35Å; A833-M837 PolarHBondContact O-N 2.93Å; I834-M837 HydrophobicContact CG1-CE 4.16Å; I834-M837 PolarHBondContact O-N 2.92Å; M837-G840 PolarHBondContact O-N 3.14Å; M837-A841 WeakPolarHBondContact O-CB 3.35Å; M837-A841 PolarHBondContact O-N 3.31Å
838	L	93.5	Very high	91.6	Very high	115 Å²	115	63.3 Å²	63.3	60%	0.602	35%	0.35	S	S	*	.	H	α-helix	trans	-67.5	-42.4	175.8	-174.1	146.4	0	0	0	112	I834 I836 L842	I834-L838 PolarHBondContact O-N 2.93Å; I834-L838 VanDerWaalsContact O-N 3.08Å; I836-L838 VanDerWaalsContact C-N 3.34Å; I836-L838 PolarHBondContact O-N 3.43Å; L838-L842 HydrophobicContact CD2-CD1 3.83Å; L838-L842 WeakPolarHBondContact O-CG 3.5Å; L838-L842 PolarHBondContact O-N 2.77Å
839	L	92.8	Very high	91.6	Very high	65 Å²	65	61.7 Å²	61.7	34%	0.34	35%	0.351	S	S	.	.	H	α-helix	trans	-63	-43.9	174.4	-179.7	59.3	0	0	0	111.6	V754 L814 C835 I836 L842 M843	V754-L839 HydrophobicContact CG1-CD2 3.76Å; V754-L839 HydrophobicContact CG1-CG 4.46Å; L814-L839 HydrophobicContact CD2-CB 4.49Å; L814-L839 HydrophobicContact CD2-CD2 4.44Å; L814-L839 HydrophobicContact CD2-CG 4.23Å; C835-L839 VanDerWaalsContact O-CB 3.31Å; C835-L839 WeakPolarHBondContact O-CB 3.49Å; C835-L839 PolarHBondContact O-N 3.37Å; I836-L839 PolarHBondContact O-N 3.16Å; L839-L842 PolarHBondContact O-N 3.23Å; L839-M843 HydrophobicContact CD1-CG 4.18Å; L839-M843 HydrophobicContact CD1-SD 4.13Å; L839-M843 HydrophobicContact CG-CG 4.47Å; L839-M843 HydrophobicContact CG-SD 4.1Å; L839-M843 WeakPolarHBondContact O-CB 3.12Å; L839-M843 VanDerWaalsContact O-CG 3.31Å; L839-M843 WeakPolarHBondContact O-CG 3.46Å; L839-M843 PolarHBondContact O-N 3.26Å
840	G	92.4	Very high	91.1	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-58.9	-49.9	176.7	0	0	0	0	0	111.8	I836 M837 L842 M843 H844	I836-G840 WeakPolarHBondContact O-CA 3.45Å; I836-G840 PolarHBondContact O-N 3.31Å; M837-G840 PolarHBondContact O-N 3.14Å; G840-L842 VanDerWaalsContact C-N 3.32Å; G840-L842 PolarHBondContact O-N 3.4Å; G840-M843 PolarHBondContact O-N 2.63Å; G840-H844 WeakPolarHBondContact O-CB 3.46Å; G840-H844 PolarHBondContact O-N 2.62Å
841	A	91.9	Very high	90.8	Very high	61 Å²	61	61.7 Å²	61.7	50%	0.504	36%	0.358	S	S	.	.	H	α-helix	trans	-56.3	-44.2	176.3	0	0	0	0	0	112.5	M837 A845	M837-A841 WeakPolarHBondContact O-CB 3.35Å; M837-A841 PolarHBondContact O-N 3.31Å; A841-A845 VanDerWaalsContact O-CB 3.31Å; A841-A845 WeakPolarHBondContact O-CB 3.44Å; A841-A845 PolarHBondContact O-N 3.26Å
842	L	90.7	Very high	90.5	Very high	113 Å²	113	60.4 Å²	60.4	59%	0.592	35%	0.354	S	S	*	.	H	α-helix	trans	-66.5	-43.6	176.9	-69.2	172	0	0	0	112.6	L838 L839 G840 A846	L838-L842 HydrophobicContact CD2-CD1 3.83Å; L838-L842 WeakPolarHBondContact O-CG 3.5Å; L838-L842 PolarHBondContact O-N 2.77Å; L839-L842 PolarHBondContact O-N 3.23Å; G840-L842 VanDerWaalsContact C-N 3.32Å; G840-L842 PolarHBondContact O-N 3.4Å; L842-A846 WeakPolarHBondContact O-CB 2.98Å; L842-A846 PolarHBondContact O-N 3.45Å
843	M	88.3	Confident	90	Very high	28 Å²	28	61.3 Å²	61.3	14%	0.138	37%	0.368	C	S	.	.	H	α-helix	trans	-67.8	-41	178	-70.3	-172.2	78	0	0	112.2	F751 V754 L839 G840 A846 V847	F751-M843 HydrophobicContact CB-CE 4.31Å; F751-M843 HydrophobicContact CD2-CE 4.21Å; V754-M843 HydrophobicContact CB-CE 3.92Å; V754-M843 HydrophobicContact CB-SD 4Å; V754-M843 HydrophobicContact CG1-CE 4.3Å; V754-M843 HydrophobicContact CG1-SD 3.68Å; V754-M843 HydrophobicContact CG2-CE 3.89Å; V754-M843 HydrophobicContact CG2-SD 4.19Å; L839-M843 HydrophobicContact CD1-CG 4.18Å; L839-M843 HydrophobicContact CD1-SD 4.13Å; L839-M843 HydrophobicContact CG-CG 4.47Å; L839-M843 HydrophobicContact CG-SD 4.1Å; L839-M843 WeakPolarHBondContact O-CB 3.12Å; L839-M843 VanDerWaalsContact O-CG 3.31Å; L839-M843 WeakPolarHBondContact O-CG 3.46Å; L839-M843 PolarHBondContact O-N 3.26Å; G840-M843 PolarHBondContact O-N 2.63Å; M843-A846 PolarHBondContact O-N 2.74Å; M843-V847 WeakPolarHBondContact O-CG2 3.08Å; M843-V847 PolarHBondContact O-N 3.43Å
844	H	86.7	Confident	89.5	Confident	73 Å²	73	61.6 Å²	61.6	34%	0.338	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-48.2	176.3	-166.4	-107.6	0	0	0	110.4	G840 A846 V847 F848	G840-H844 WeakPolarHBondContact O-CB 3.46Å; G840-H844 PolarHBondContact O-N 2.62Å; H844-A846 VanDerWaalsContact C-N 3.34Å; H844-A846 PolarHBondContact O-N 3.07Å; H844-V847 PolarHBondContact O-N 2.98Å; H844-F848 AromaticContact CD2-CE2 3.9Å; H844-F848 AromaticContact CE1-CD2 3.81Å; H844-F848 AromaticContact CE1-CE2 3.54Å; H844-F848 AromaticContact ND1-CD2 3.91Å; H844-F848 AromaticContact NE2-CD2 3.93Å; H844-F848 AromaticContact NE2-CE2 3.37Å; H844-F848 WeakPolarHBondContact NE2-CE2 3.31Å; H844-F848 WeakPolarHBondContact O-CB 3.37Å; H844-F848 WeakPolarHBondContact O-CD2 3.27Å; H844-F848 PolarHBondContact O-N 3.47Å
845	A	90.7	Very high	89.1	Confident	63 Å²	63	60.8 Å²	60.8	52%	0.521	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-41.5	173.7	0	0	0	0	0	112.6	A841 G849	A841-A845 VanDerWaalsContact O-CB 3.31Å; A841-A845 WeakPolarHBondContact O-CB 3.44Å; A841-A845 PolarHBondContact O-N 3.26Å; A845-G849 PolarHBondContact O-N 2.72Å
846	A	85.4	Confident	88.7	Confident	48 Å²	48	63.4 Å²	63.4	40%	0.397	37%	0.368	S	S	.	.	H	α-helix	trans	-65.3	-42.2	176.8	0	0	0	0	0	112.7	L842 M843 H844 N850	L842-A846 WeakPolarHBondContact O-CB 2.98Å; L842-A846 PolarHBondContact O-N 3.45Å; M843-A846 PolarHBondContact O-N 2.74Å; H844-A846 VanDerWaalsContact C-N 3.34Å; H844-A846 PolarHBondContact O-N 3.07Å; A846-N850 WeakPolarHBondContact O-CB 3.37Å; A846-N850 PolarHBondContact O-N 3.26Å; A846-N850 VanDerWaalsContact O-N 3.12Å; A846-N850 PolarHBondContact O-ND2 2.86Å
847	V	86.1	Confident	88.1	Confident	34 Å²	34	70.6 Å²	70.6	21%	0.206	40%	0.395	C	S	.	.	H	α-helix	trans	-65.5	-50.1	176.2	171.4	0	0	0	0	110.5	M843 H844 G849 N850 V851	M843-V847 WeakPolarHBondContact O-CG2 3.08Å; M843-V847 PolarHBondContact O-N 3.43Å; H844-V847 PolarHBondContact O-N 2.98Å; V847-G849 PolarHBondContact O-N 3.24Å; V847-N850 PolarHBondContact O-N 2.78Å; V847-V851 HydrophobicContact CG1-CG2 4.29Å; V847-V851 WeakPolarHBondContact O-CG2 3.32Å; V847-V851 PolarHBondContact O-N 2.96Å
848	F	87.8	Confident	87.3	Confident	118 Å²	118	71.7 Å²	71.7	52%	0.518	40%	0.4	S	S	.	.	H	α-helix	trans	-63.9	-39.6	179.9	-90	-83.2	0	0	0	113.1	H844 V851 T852	H844-F848 AromaticContact CD2-CE2 3.9Å; H844-F848 AromaticContact CE1-CD2 3.81Å; H844-F848 AromaticContact CE1-CE2 3.54Å; H844-F848 AromaticContact ND1-CD2 3.91Å; H844-F848 AromaticContact NE2-CD2 3.93Å; H844-F848 AromaticContact NE2-CE2 3.37Å; H844-F848 WeakPolarHBondContact NE2-CE2 3.31Å; H844-F848 WeakPolarHBondContact O-CB 3.37Å; H844-F848 WeakPolarHBondContact O-CD2 3.27Å; H844-F848 PolarHBondContact O-N 3.47Å; F848-V851 PolarHBondContact O-N 2.93Å; F848-T852 WeakPolarHBondContact O-CB 3.27Å; F848-T852 PolarHBondContact O-N 3.47Å; F848-T852 PolarHBondContact O-OG1 2.92Å
849	G	89	Confident	86.8	Confident	43 Å²	43	71.9 Å²	71.9	44%	0.443	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-44.4	174	0	0	0	0	0	112.6	A845 V847 A853	A845-G849 PolarHBondContact O-N 2.72Å; V847-G849 PolarHBondContact O-N 3.24Å; G849-A853 WeakPolarHBondContact O-CB 3.47Å; G849-A853 PolarHBondContact O-N 3.16Å
850	N	84.7	Confident	86.5	Confident	62 Å²	62	71 Å²	71	33%	0.332	40%	0.396	S	S	.	.	H	α-helix	trans	-67.1	-44.6	175.3	-81.4	-80	0	0	0	112.3	L747 A846 V847 T852 A853 I854	L747-N850 HydrophobicContact CD1-CB 3.5Å; A846-N850 WeakPolarHBondContact O-CB 3.37Å; A846-N850 PolarHBondContact O-N 3.26Å; A846-N850 VanDerWaalsContact O-N 3.12Å; A846-N850 PolarHBondContact O-ND2 2.86Å; V847-N850 PolarHBondContact O-N 2.78Å; N850-T852 VanDerWaalsContact C-N 3.3Å; N850-T852 PolarHBondContact O-N 2.91Å; N850-A853 PolarHBondContact O-N 3.35Å; N850-I854 WeakPolarHBondContact O-CB 3.48Å; N850-I854 WeakPolarHBondContact O-CG1 3.12Å; N850-I854 PolarHBondContact O-N 3.27Å
851	V	86.5	Confident	86	Confident	43 Å²	43	77 Å²	77	26%	0.261	42%	0.418	S	S	.	.	H	α-helix	trans	-58.8	-43.1	176.3	168.9	0	0	0	0	110.9	L744 V847 F848 I854 I855	L744-V851 HydrophobicContact CD1-CG2 3.69Å; V847-V851 HydrophobicContact CG1-CG2 4.29Å; V847-V851 WeakPolarHBondContact O-CG2 3.32Å; V847-V851 PolarHBondContact O-N 2.96Å; F848-V851 PolarHBondContact O-N 2.93Å; V851-I854 PolarHBondContact O-N 2.94Å; V851-I855 HydrophobicContact CG1-CD1 3.79Å; V851-I855 HydrophobicContact CG1-CG1 4.49Å; V851-I855 VanDerWaalsContact O-CG1 3.31Å; V851-I855 WeakPolarHBondContact O-CG1 3.34Å; V851-I855 PolarHBondContact O-N 3.49Å
852	T	89.2	Confident	85.7	Confident	68 Å²	68	81.2 Å²	81.2	42%	0.417	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-46.6	176.9	-58.2	0	0	0	0	111.5	F848 N850 I854 I855 Q856	F848-T852 WeakPolarHBondContact O-CB 3.27Å; F848-T852 PolarHBondContact O-N 3.47Å; F848-T852 PolarHBondContact O-OG1 2.92Å; N850-T852 VanDerWaalsContact C-N 3.3Å; N850-T852 PolarHBondContact O-N 2.91Å; T852-I854 VanDerWaalsContact C-N 3.32Å; T852-I854 PolarHBondContact O-N 3.44Å; T852-I855 PolarHBondContact O-N 3.38Å; T852-Q856 WeakPolarHBondContact O-CB 3.17Å; T852-Q856 VanDerWaalsContact O-CG 3.31Å; T852-Q856 WeakPolarHBondContact O-CG 3.33Å; T852-Q856 PolarHBondContact O-N 3.12Å
853	A	85.3	Confident	85.6	Confident	49 Å²	49	79.6 Å²	79.6	41%	0.405	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-35.7	176.3	0	0	0	0	0	112.7	G849 N850 R857	G849-A853 WeakPolarHBondContact O-CB 3.47Å; G849-A853 PolarHBondContact O-N 3.16Å; N850-A853 PolarHBondContact O-N 3.35Å; A853-R857 VanDerWaalsContact O-CB 3.27Å; A853-R857 WeakPolarHBondContact O-CB 3.48Å; A853-R857 PolarHBondContact O-N 3.35Å
854	I	83.5	Confident	85.7	Confident	18 Å²	18	81.7 Å²	81.7	9%	0.092	43%	0.431	C	S	.	.	H	α-helix	trans	-65.6	-47.7	174.7	-69.1	168.6	0	0	0	110.7	S740 L744 N850 V851 T852 R857 M858	S740-I854 WeakPolarHBondContact O-CD1 3.44Å; L744-I854 HydrophobicContact CB-CD1 4.05Å; N850-I854 WeakPolarHBondContact O-CB 3.48Å; N850-I854 WeakPolarHBondContact O-CG1 3.12Å; N850-I854 PolarHBondContact O-N 3.27Å; V851-I854 PolarHBondContact O-N 2.94Å; T852-I854 VanDerWaalsContact C-N 3.32Å; T852-I854 PolarHBondContact O-N 3.44Å; I854-R857 PolarHBondContact O-N 2.96Å; I854-M858 HydrophobicContact CG2-CG 4.44Å; I854-M858 HydrophobicContact CG2-SD 3.87Å; I854-M858 WeakPolarHBondContact O-CB 3.39Å; I854-M858 WeakPolarHBondContact O-CG 3.48Å; I854-M858 PolarHBondContact O-N 3.46Å
855	I	84.3	Confident	85.8	Confident	88 Å²	88	80.8 Å²	80.8	45%	0.451	43%	0.426	S	S	.	.	H	α-helix	trans	-60.2	-49.2	177	-69	166.6	0	0	0	110.2	V851 T852 R857 M858 Y859	V851-I855 HydrophobicContact CG1-CD1 3.79Å; V851-I855 HydrophobicContact CG1-CG1 4.49Å; V851-I855 VanDerWaalsContact O-CG1 3.31Å; V851-I855 WeakPolarHBondContact O-CG1 3.34Å; V851-I855 PolarHBondContact O-N 3.49Å; T852-I855 PolarHBondContact O-N 3.38Å; I855-R857 VanDerWaalsContact C-N 3.32Å; I855-R857 PolarHBondContact O-N 3.5Å; I855-M858 PolarHBondContact O-N 2.86Å; I855-Y859 HydrophobicContact CG2-CD2 3.96Å; I855-Y859 HydrophobicContact CG2-CE2 4.32Å; I855-Y859 WeakPolarHBondContact O-CD2 3.48Å; I855-Y859 PolarHBondContact O-N 3.3Å
856	Q	86.4	Confident	85.9	Confident	130 Å²	130	83.2 Å²	83.2	61%	0.607	43%	0.426	S	S	*	.	H	α-helix	trans	-55.8	-45.7	176.1	-73.4	173	-10.8	0	0	111.8	T852 Y859 A860	T852-Q856 WeakPolarHBondContact O-CB 3.17Å; T852-Q856 VanDerWaalsContact O-CG 3.31Å; T852-Q856 WeakPolarHBondContact O-CG 3.33Å; T852-Q856 PolarHBondContact O-N 3.12Å; Q856-Y859 PolarHBondContact O-N 2.87Å; Q856-A860 WeakPolarHBondContact O-CB 3.41Å; Q856-A860 PolarHBondContact O-N 3.41Å
857	R	81.6	Confident	86.2	Confident	154 Å²	154	83.6 Å²	83.6	58%	0.581	43%	0.426	S	S	*	.	H	α-helix	trans	-66.9	-35.7	178.8	-170.1	177.3	-177.5	-145.4	1.9	113.2	Q738 S740 A853 I854 I855	Q738-R857 PolarHBondContact O-NH1 2.85Å; Q738-R857 PolarHBondContact O-NH2 2.91Å; S740-R857 PolarHBondContact OG-NH1 2.8Å; A853-R857 VanDerWaalsContact O-CB 3.27Å; A853-R857 WeakPolarHBondContact O-CB 3.48Å; A853-R857 PolarHBondContact O-N 3.35Å; I854-R857 PolarHBondContact O-N 2.96Å; I855-R857 VanDerWaalsContact C-N 3.32Å; I855-R857 PolarHBondContact O-N 3.5Å
858	M	76	Confident	86.5	Confident	132 Å²	132	87.1 Å²	87.1	65%	0.65	44%	0.439	S	S	*	.	H	α-helix	trans	-69.9	-42.3	175.1	-74.1	175.7	65.6	0	0	112	I854 I855	I854-M858 HydrophobicContact CG2-CG 4.44Å; I854-M858 HydrophobicContact CG2-SD 3.87Å; I854-M858 WeakPolarHBondContact O-CB 3.39Å; I854-M858 WeakPolarHBondContact O-CG 3.48Å; I854-M858 PolarHBondContact O-N 3.46Å; I855-M858 PolarHBondContact O-N 2.86Å
859	Y	84.6	Confident	86.7	Confident	118 Å²	118	83 Å²	83	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-83.1	-19.2	-177.2	-82.1	-97.8	0	0	0	114	I855 Q856 R861 R862 T863	I855-Y859 HydrophobicContact CG2-CD2 3.96Å; I855-Y859 HydrophobicContact CG2-CE2 4.32Å; I855-Y859 WeakPolarHBondContact O-CD2 3.48Å; I855-Y859 PolarHBondContact O-N 3.3Å; Q856-Y859 PolarHBondContact O-N 2.87Å; Y859-R861 VanDerWaalsContact C-N 3.28Å; Y859-R861 PolarHBondContact O-N 3.05Å; Y859-R862 CarbonylContact O-C 3.47Å; Y859-R862 WeakPolarHBondContact O-CA 3.32Å; Y859-R862 WeakPolarHBondContact O-CB 3.47Å; Y859-R862 PolarHBondContact O-N 2.89Å; Y859-T863 PolarHBondContact O-N 3.29Å; Y859-T863 PolarHBondContact O-OG1 3.29Å
860	A	85.7	Confident	86.9	Confident	48 Å²	48	85.4 Å²	85.4	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-41.4	-48.3	-175.2	0	0	0	0	0	114.6	Q856 R862 T863 T864	Q856-A860 WeakPolarHBondContact O-CB 3.41Å; Q856-A860 PolarHBondContact O-N 3.41Å; A860-R862 PolarHBondContact O-N 3.27Å; A860-T863 WeakPolarHBondContact O-CB 3.3Å; A860-T863 PolarHBondContact O-N 3.22Å; A860-T864 PolarHBondContact O-N 3.39Å; A860-T864 PolarHBondContact O-OG1 2.86Å
861	R	81.7	Confident	87.3	Confident	125 Å²	125	85.4 Å²	85.4	47%	0.472	42%	0.423	S	S	.	.	H	α-helix	trans	-70.5	-27.7	-179.7	-162.8	179.6	-167.1	127.8	11.3	113.9	Y859 T864 F865 W897 R901 G902	Y859-R861 VanDerWaalsContact C-N 3.28Å; Y859-R861 PolarHBondContact O-N 3.05Å; R861-T864 WeakPolarHBondContact CA-OG1 3.41Å; R861-T864 PolarHBondContact O-OG1 3.04Å; R861-F865 PolarHBondContact O-N 2.97Å; R861-W897 HydrophobicContact CG-CZ2 4.43Å; R861-R901 PolarHBondContact NE-O 3.42Å; R861-R901 PolarHBondContact NH2-O 3Å; R861-G902 PolarHBondContact NH2-O 3.1Å
862	R	85.5	Confident	87.7	Confident	151 Å²	151	84.7 Å²	84.7	57%	0.57	42%	0.417	S	S	*	.	H	α-helix	trans	-76.8	-37.6	170.5	-176.7	177.6	-72.7	-172	-1.7	110.4	Y859 A860 F865 Q866	Y859-R862 CarbonylContact O-C 3.47Å; Y859-R862 WeakPolarHBondContact O-CA 3.32Å; Y859-R862 WeakPolarHBondContact O-CB 3.47Å; Y859-R862 PolarHBondContact O-N 2.89Å; A860-R862 PolarHBondContact O-N 3.27Å; R862-F865 WeakPolarHBondContact O-CB 3.46Å; R862-F865 PolarHBondContact O-N 3.42Å; R862-Q866 HydrophobicContact CG-CG 4.38Å; R862-Q866 WeakPolarHBondContact O-CB 3.36Å; R862-Q866 WeakPolarHBondContact O-CG 3.5Å; R862-Q866 PolarHBondContact O-N 3.41Å
863	T	89.4	Confident	87.9	Confident	78 Å²	78	85.6 Å²	85.6	48%	0.479	42%	0.416	S	S	.	.	H	α-helix	trans	-63.8	-42.7	174.5	-51.6	0	0	0	0	111.7	Y859 A860 F865 Q866 S867	Y859-T863 PolarHBondContact O-N 3.29Å; Y859-T863 PolarHBondContact O-OG1 3.29Å; A860-T863 WeakPolarHBondContact O-CB 3.3Å; A860-T863 PolarHBondContact O-N 3.22Å; T863-F865 VanDerWaalsContact C-N 3.33Å; T863-F865 PolarHBondContact O-N 2.91Å; T863-Q866 PolarHBondContact O-N 3.11Å; T863-S867 WeakPolarHBondContact O-CB 3.32Å; T863-S867 PolarHBondContact O-N 3.5Å
864	T	89	Confident	88.3	Confident	73 Å²	73	88 Å²	88	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-63.5	-37.5	173.9	51.9	0	0	0	0	112.5	A860 R861 K868	A860-T864 PolarHBondContact O-N 3.39Å; A860-T864 PolarHBondContact O-OG1 2.86Å; R861-T864 WeakPolarHBondContact CA-OG1 3.41Å; R861-T864 PolarHBondContact O-OG1 3.04Å; T864-K868 WeakPolarHBondContact O-CG 3.25Å; T864-K868 PolarHBondContact O-N 2.84Å
865	F	90.4	Very high	88.8	Confident	53 Å²	53	91.8 Å²	91.8	23%	0.232	43%	0.434	C	S	.	.	H	α-helix	trans	-64.9	-49.3	172.8	175.6	-109.6	0	0	0	111.4	R861 R862 T863 S867 K868 V869 F893 Q894 W897	R861-F865 PolarHBondContact O-N 2.97Å; R862-F865 WeakPolarHBondContact O-CB 3.46Å; R862-F865 PolarHBondContact O-N 3.42Å; T863-F865 VanDerWaalsContact C-N 3.33Å; T863-F865 PolarHBondContact O-N 2.91Å; F865-S867 PolarHBondContact O-N 3.46Å; F865-K868 PolarHBondContact O-N 3.28Å; F865-V869 HydrophobicContact CD1-CG2 4.35Å; F865-V869 HydrophobicContact CD2-CG2 4.11Å; F865-V869 HydrophobicContact CE1-CG2 3.99Å; F865-V869 HydrophobicContact CE2-CG2 3.74Å; F865-V869 HydrophobicContact CG-CG2 4.42Å; F865-V869 HydrophobicContact CZ-CG2 3.68Å; F865-V869 WeakPolarHBondContact O-CG2 3.37Å; F865-V869 PolarHBondContact O-N 3.17Å; F865-F893 AromaticContact CD2-CE1 3.84Å; F865-F893 HydrophobicContact CD2-CE1 3.84Å; F865-F893 HydrophobicContact CE2-CD1 4.18Å; F865-F893 AromaticContact CE2-CE1 3.65Å; F865-F893 HydrophobicContact CE2-CE1 3.65Å; F865-Q894 HydrophobicContact CZ-CG 4.49Å; F865-W897 HydrophobicContact CB-CD2 4.46Å; F865-W897 HydrophobicContact CB-CH2 4.36Å; F865-W897 HydrophobicContact CB-CZ2 3.7Å; F865-W897 HydrophobicContact CD2-CB 4.24Å; F865-W897 AromaticContact CD2-CD1 3.42Å; F865-W897 VanDerWaalsContact CD2-CD1 3.42Å; F865-W897 AromaticContact CD2-CD2 3.58Å; F865-W897 HydrophobicContact CD2-CD2 3.58Å; F865-W897 AromaticContact CD2-CE2 3.63Å; F865-W897 HydrophobicContact CD2-CE3 4.3Å; F865-W897 AromaticContact CD2-CG 3.49Å; F865-W897 HydrophobicContact CD2-CG 3.49Å; F865-W897 VanDerWaalsContact CD2-CG 3.49Å; F865-W897 HydrophobicContact CD2-CZ2 4.39Å; F865-W897 AromaticContact CD2-NE1 3.5Å; F865-W897 HydrophobicContact CE2-CB 4.08Å; F865-W897 AromaticContact CE2-CD1 3.73Å; F865-W897 HydrophobicContact CE2-CD2 4.32Å; F865-W897 AromaticContact CE2-CG 3.77Å; F865-W897 HydrophobicContact CE2-CG 3.77Å; F865-W897 HydrophobicContact CG-CD2 4.44Å; F865-W897 HydrophobicContact CG-CZ2 4.5Å; F865-W897 AromaticContact CG-NE1 3.86Å
866	Q	91.6	Very high	89.3	Confident	114 Å²	114	88 Å²	88	53%	0.533	42%	0.415	S	S	.	.	H	α-helix	trans	-63.8	-38.9	-179	-75.2	175.1	-41.4	0	0	112.3	R862 T863 Q870	R862-Q866 HydrophobicContact CG-CG 4.38Å; R862-Q866 WeakPolarHBondContact O-CB 3.36Å; R862-Q866 WeakPolarHBondContact O-CG 3.5Å; R862-Q866 PolarHBondContact O-N 3.41Å; T863-Q866 PolarHBondContact O-N 3.11Å; Q866-Q870 WeakPolarHBondContact O-CB 3.47Å; Q866-Q870 PolarHBondContact O-N 3.5Å
867	S	92.4	Very high	89.5	Confident	56 Å²	56	89 Å²	89	39%	0.392	42%	0.419	S	S	.	.	H	α-helix	trans	-59.1	-54.9	169.1	165.6	0	0	0	0	110.2	T863 F865 V869 Q870 D871	T863-S867 WeakPolarHBondContact O-CB 3.32Å; T863-S867 PolarHBondContact O-N 3.5Å; F865-S867 PolarHBondContact O-N 3.46Å; S867-V869 VanDerWaalsContact C-N 3.27Å; S867-V869 PolarHBondContact O-N 3.16Å; S867-Q870 CarbonylContact O-C 3.45Å; S867-Q870 WeakPolarHBondContact O-CA 3.35Å; S867-Q870 WeakPolarHBondContact O-CB 3.45Å; S867-Q870 PolarHBondContact O-N 3.35Å; S867-D871 PolarHBondContact O-N 2.78Å; S867-D871 PolarHBondContact OG-OD1 2.9Å
868	K	92.5	Very high	90.2	Very high	108 Å²	108	86.7 Å²	86.7	47%	0.47	42%	0.423	S	S	.	.	H	α-helix	trans	-63.1	-29.8	-178.4	-68.7	-72	153.5	-143.1	0	114.1	T864 F865 D871 L872 F893	T864-K868 WeakPolarHBondContact O-CG 3.25Å; T864-K868 PolarHBondContact O-N 2.84Å; F865-K868 PolarHBondContact O-N 3.28Å; K868-D871 WeakPolarHBondContact CD-OD2 3.45Å; K868-D871 WeakPolarHBondContact CE-OD2 3.42Å; K868-D871 IonicContact NZ-OD2 2.92Å; K868-D871 PolarHBondContact NZ-OD2 2.96Å; K868-L872 VanDerWaalsContact O-CB 3.23Å; K868-L872 WeakPolarHBondContact O-CB 3.4Å; K868-L872 PolarHBondContact O-N 2.96Å; K868-F893 HydrophobicContact CB-CE1 4.41Å; K868-F893 HydrophobicContact CB-CE2 4.2Å; K868-F893 HydrophobicContact CB-CZ 3.58Å
869	V	91.1	Very high	91.1	Very high	32 Å²	32	88 Å²	88	19%	0.194	42%	0.421	C	S	.	.	H	α-helix	trans	-71.6	-33.3	170.4	171.9	0	0	0	0	112	F865 S867 K873 F893	F865-V869 HydrophobicContact CD1-CG2 4.35Å; F865-V869 HydrophobicContact CD2-CG2 4.11Å; F865-V869 HydrophobicContact CE1-CG2 3.99Å; F865-V869 HydrophobicContact CE2-CG2 3.74Å; F865-V869 HydrophobicContact CG-CG2 4.42Å; F865-V869 HydrophobicContact CZ-CG2 3.68Å; F865-V869 WeakPolarHBondContact O-CG2 3.37Å; F865-V869 PolarHBondContact O-N 3.17Å; S867-V869 VanDerWaalsContact C-N 3.27Å; S867-V869 PolarHBondContact O-N 3.16Å; V869-K873 HydrophobicContact CG1-CD 4.29Å; V869-K873 VanDerWaalsContact O-CG 3.29Å; V869-K873 WeakPolarHBondContact O-CG 3.47Å; V869-K873 PolarHBondContact O-N 3.39Å; V869-K873 VanDerWaalsContact O-N 3.08Å; V869-F893 HydrophobicContact CG2-CD1 4Å; V869-F893 HydrophobicContact CG2-CE1 3.64Å
870	Q	93.4	Very high	91.4	Very high	94 Å²	94	93.1 Å²	93.1	44%	0.439	44%	0.44	S	S	.	.	H	α-helix	trans	-71.6	-48.9	174.3	-175.6	61.3	25.6	0	0	110.9	Q866 S867 L872 K873 E874	Q866-Q870 WeakPolarHBondContact O-CB 3.47Å; Q866-Q870 PolarHBondContact O-N 3.5Å; S867-Q870 CarbonylContact O-C 3.45Å; S867-Q870 WeakPolarHBondContact O-CA 3.35Å; S867-Q870 WeakPolarHBondContact O-CB 3.45Å; S867-Q870 PolarHBondContact O-N 3.35Å; Q870-L872 PolarHBondContact O-N 3.01Å; Q870-K873 PolarHBondContact O-N 3.04Å; Q870-E874 VanDerWaalsContact CG-OE1 3.32Å; Q870-E874 WeakPolarHBondContact CG-OE1 3.34Å; Q870-E874 PolarHBondContact NE2-OE1 3.14Å; Q870-E874 PolarHBondContact O-N 3.09Å
871	D	94.3	Very high	91.8	Very high	61 Å²	61	92.1 Å²	92.1	33%	0.326	43%	0.428	S	S	.	.	H	α-helix	trans	-50.5	-44.8	172.3	-52.4	-5.6	0	0	0	110.9	S867 K868 F875	S867-D871 PolarHBondContact O-N 2.78Å; S867-D871 PolarHBondContact OG-OD1 2.9Å; K868-D871 WeakPolarHBondContact CD-OD2 3.45Å; K868-D871 WeakPolarHBondContact CE-OD2 3.42Å; K868-D871 IonicContact NZ-OD2 2.92Å; K868-D871 PolarHBondContact NZ-OD2 2.96Å; D871-F875 WeakPolarHBondContact O-CB 3.24Å; D871-F875 PolarHBondContact O-N 3.04Å
872	L	94	Very high	92.4	Very high	28 Å²	28	89.8 Å²	89.8	15%	0.147	43%	0.428	C	S	.	.	H	α-helix	trans	-65.3	-39.3	177.8	176.9	60.6	0	0	0	112.5	K868 Q870 I876 M889 E890 F893	K868-L872 VanDerWaalsContact O-CB 3.23Å; K868-L872 WeakPolarHBondContact O-CB 3.4Å; K868-L872 PolarHBondContact O-N 2.96Å; Q870-L872 PolarHBondContact O-N 3.01Å; L872-I876 HydrophobicContact CD1-CD1 3.93Å; L872-I876 HydrophobicContact CD1-CG1 4.41Å; L872-I876 HydrophobicContact CG-CD1 3.85Å; L872-I876 WeakPolarHBondContact O-CB 3.41Å; L872-I876 VanDerWaalsContact O-CD1 3.29Å; L872-I876 WeakPolarHBondContact O-CD1 3.46Å; L872-I876 WeakPolarHBondContact O-CG1 3.17Å; L872-I876 PolarHBondContact O-N 3.23Å; L872-M889 HydrophobicContact CD1-CE 3.96Å; L872-E890 HydrophobicContact CD2-CG 4.41Å; L872-F893 HydrophobicContact CD2-CB 3.83Å; L872-F893 HydrophobicContact CD2-CD1 4.32Å; L872-F893 HydrophobicContact CD2-CG 3.96Å
873	K	92.5	Very high	92.7	Very high	88 Å²	88	91.6 Å²	91.6	38%	0.383	44%	0.441	S	S	.	.	H	α-helix	trans	-69.9	-42.5	177.8	-78.1	172.5	-179	-176.9	0	112.3	V869 Q870 F875 I876 E877	V869-K873 HydrophobicContact CG1-CD 4.29Å; V869-K873 VanDerWaalsContact O-CG 3.29Å; V869-K873 WeakPolarHBondContact O-CG 3.47Å; V869-K873 PolarHBondContact O-N 3.39Å; V869-K873 VanDerWaalsContact O-N 3.08Å; Q870-K873 PolarHBondContact O-N 3.04Å; K873-F875 VanDerWaalsContact C-N 3.33Å; K873-I876 WeakPolarHBondContact O-CB 3.33Å; K873-I876 PolarHBondContact O-N 3.31Å; K873-E877 WeakPolarHBondContact O-CB 3.49Å; K873-E877 PolarHBondContact O-N 3.14Å
874	E	93.6	Very high	92.7	Very high	100 Å²	100	93 Å²	93	47%	0.467	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-42.4	174.5	-71.2	172	-164	0	0	110.5	Q870 I876 E877 V878	Q870-E874 VanDerWaalsContact CG-OE1 3.32Å; Q870-E874 WeakPolarHBondContact CG-OE1 3.34Å; Q870-E874 PolarHBondContact NE2-OE1 3.14Å; Q870-E874 PolarHBondContact O-N 3.09Å; E874-I876 PolarHBondContact O-N 3.25Å; E874-E877 PolarHBondContact O-N 3.41Å; E874-V878 WeakPolarHBondContact O-CB 3.31Å; E874-V878 VanDerWaalsContact O-CG2 3.24Å; E874-V878 WeakPolarHBondContact O-CG2 3.38Å; E874-V878 PolarHBondContact O-N 2.9Å
875	F	95	Very high	92.8	Very high	96 Å²	96	93.4 Å²	93.4	42%	0.421	45%	0.448	S	S	.	.	H	α-helix	trans	-58.1	-48	171.2	-177.1	-90.8	0	0	0	112.4	D871 K873 E877 Y879 I881 M889	D871-F875 WeakPolarHBondContact O-CB 3.24Å; D871-F875 PolarHBondContact O-N 3.04Å; K873-F875 VanDerWaalsContact C-N 3.33Å; F875-E877 VanDerWaalsContact C-N 3.29Å; F875-E877 PolarHBondContact O-N 2.82Å; F875-Y879 HydrophobicContact CD1-CD2 4.31Å; F875-Y879 AromaticContact CD2-CD2 3.65Å; F875-Y879 HydrophobicContact CD2-CD2 3.65Å; F875-Y879 AromaticContact CD2-CE2 3.55Å; F875-Y879 HydrophobicContact CD2-CE2 3.55Å; F875-Y879 HydrophobicContact CE1-CD2 4.27Å; F875-Y879 AromaticContact CE2-CD2 3.6Å; F875-Y879 HydrophobicContact CE2-CD2 3.6Å; F875-Y879 AromaticContact CE2-CE2 3.42Å; F875-Y879 HydrophobicContact CE2-CE2 3.42Å; F875-Y879 VanDerWaalsContact CE2-CE2 3.42Å; F875-Y879 HydrophobicContact CG-CD2 4.01Å; F875-Y879 HydrophobicContact CG-CE2 4.34Å; F875-Y879 AromaticContact CZ-CD2 3.92Å; F875-Y879 HydrophobicContact CZ-CD2 3.92Å; F875-Y879 HydrophobicContact CZ-CE2 4.14Å; F875-Y879 VanDerWaalsContact O-CD2 3.31Å; F875-Y879 WeakPolarHBondContact O-CD2 3.41Å; F875-Y879 PolarHBondContact O-N 3.03Å; F875-I881 HydrophobicContact CD1-CD1 3.78Å; F875-I881 HydrophobicContact CE1-CD1 3.62Å; F875-M889 HydrophobicContact CD1-CE 4.1Å; F875-M889 HydrophobicContact CE1-CE 3.94Å
876	I	94	Very high	92.8	Very high	8 Å²	8	94.2 Å²	94.2	4%	0.041	45%	0.451	C	S	.	.	H	α-helix	trans	-60	-37.8	177.6	-77.1	160.7	0	0	0	112.2	L872 K873 E874 R880 I881 K886 E890	L872-I876 HydrophobicContact CD1-CD1 3.93Å; L872-I876 HydrophobicContact CD1-CG1 4.41Å; L872-I876 HydrophobicContact CG-CD1 3.85Å; L872-I876 WeakPolarHBondContact O-CB 3.41Å; L872-I876 VanDerWaalsContact O-CD1 3.29Å; L872-I876 WeakPolarHBondContact O-CD1 3.46Å; L872-I876 WeakPolarHBondContact O-CG1 3.17Å; L872-I876 PolarHBondContact O-N 3.23Å; K873-I876 WeakPolarHBondContact O-CB 3.33Å; K873-I876 PolarHBondContact O-N 3.31Å; E874-I876 PolarHBondContact O-N 3.25Å; I876-R880 WeakPolarHBondContact O-CA 3.44Å; I876-R880 PolarHBondContact O-N 3.34Å; I876-I881 HydrophobicContact CG1-CD1 4.1Å; I876-I881 HydrophobicContact CG2-CB 4.35Å; I876-I881 PolarHBondContact O-N 3.17Å; I876-K886 HydrophobicContact CD1-CG 4.22Å; I876-K886 HydrophobicContact CG2-CB 4.32Å; I876-K886 HydrophobicContact CG2-CD 3.68Å; I876-K886 HydrophobicContact CG2-CG 4.03Å; I876-E890 HydrophobicContact CD1-CG 4.02Å
877	E	92.2	Very high	92.8	Very high	151 Å²	151	91.5 Å²	91.5	71%	0.706	45%	0.445	S	S	*	.	H	α-helix	trans	-76.2	-49.4	-179.4	-173.9	165.9	178.8	0	0	112.2	K873 E874 F875 Y879 R880	K873-E877 WeakPolarHBondContact O-CB 3.49Å; K873-E877 PolarHBondContact O-N 3.14Å; E874-E877 PolarHBondContact O-N 3.41Å; F875-E877 VanDerWaalsContact C-N 3.29Å; F875-E877 PolarHBondContact O-N 2.82Å; E877-Y879 PolarHBondContact O-N 3.38Å; E877-R880 PolarHBondContact O-N 3.46Å; E877-R880 VanDerWaalsContact O-N 3.08Å
878	V	94.4	Very high	92.7	Very high	107 Å²	107	93.9 Å²	93.9	65%	0.648	45%	0.446	S	S	*	.	H	α-helix	trans	-57.4	-45.9	177.8	167.7	0	0	0	0	111.4	E874 R880	E874-V878 WeakPolarHBondContact O-CB 3.31Å; E874-V878 VanDerWaalsContact O-CG2 3.24Å; E874-V878 WeakPolarHBondContact O-CG2 3.38Å; E874-V878 PolarHBondContact O-N 2.9Å; V878-R880 VanDerWaalsContact C-N 3.32Å
879	Y	95.1	Very high	92.6	Very high	159 Å²	159	91 Å²	91	62%	0.624	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	6.1	179	-65.6	-73.1	0	0	0	114	F875 E877 I881	F875-Y879 HydrophobicContact CD1-CD2 4.31Å; F875-Y879 AromaticContact CD2-CD2 3.65Å; F875-Y879 HydrophobicContact CD2-CD2 3.65Å; F875-Y879 AromaticContact CD2-CE2 3.55Å; F875-Y879 HydrophobicContact CD2-CE2 3.55Å; F875-Y879 HydrophobicContact CE1-CD2 4.27Å; F875-Y879 AromaticContact CE2-CD2 3.6Å; F875-Y879 HydrophobicContact CE2-CD2 3.6Å; F875-Y879 AromaticContact CE2-CE2 3.42Å; F875-Y879 HydrophobicContact CE2-CE2 3.42Å; F875-Y879 VanDerWaalsContact CE2-CE2 3.42Å; F875-Y879 HydrophobicContact CG-CD2 4.01Å; F875-Y879 HydrophobicContact CG-CE2 4.34Å; F875-Y879 AromaticContact CZ-CD2 3.92Å; F875-Y879 HydrophobicContact CZ-CD2 3.92Å; F875-Y879 HydrophobicContact CZ-CE2 4.14Å; F875-Y879 VanDerWaalsContact O-CD2 3.31Å; F875-Y879 WeakPolarHBondContact O-CD2 3.41Å; F875-Y879 PolarHBondContact O-N 3.03Å; E877-Y879 PolarHBondContact O-N 3.38Å; Y879-I881 VanDerWaalsContact C-N 3.29Å; Y879-I881 PolarHBondContact O-N 3.15Å
880	R	92.4	Very high	92.5	Very high	226 Å²	226	91.7 Å²	91.7	85%	0.853	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	44.6	177.6	-59.9	-176.2	176.4	-170.6	-1.8	113.8	I876 E877 V878	I876-R880 WeakPolarHBondContact O-CA 3.44Å; I876-R880 PolarHBondContact O-N 3.34Å; E877-R880 PolarHBondContact O-N 3.46Å; E877-R880 VanDerWaalsContact O-N 3.08Å; V878-R880 VanDerWaalsContact C-N 3.32Å
881	I	93.2	Very high	92.2	Very high	27 Å²	27	91 Å²	91	14%	0.138	44%	0.435	C	S	.	.			trans	-63.8	131.6	-169.6	-62.1	-172.7	0	0	0	111.1	F875 I876 Y879 L885 M889	F875-I881 HydrophobicContact CD1-CD1 3.78Å; F875-I881 HydrophobicContact CE1-CD1 3.62Å; I876-I881 HydrophobicContact CG1-CD1 4.1Å; I876-I881 HydrophobicContact CG2-CB 4.35Å; I876-I881 PolarHBondContact O-N 3.17Å; Y879-I881 VanDerWaalsContact C-N 3.29Å; Y879-I881 PolarHBondContact O-N 3.15Å; I881-L885 HydrophobicContact CG2-CB 3.91Å; I881-L885 HydrophobicContact CG2-CD2 3.96Å; I881-L885 HydrophobicContact CG2-CG 3.83Å; I881-M889 HydrophobicContact CD1-CE 4.02Å; I881-M889 HydrophobicContact CD1-SD 3.89Å; I881-M889 HydrophobicContact CG2-SD 4.12Å
882	P	94.2	Very high	91.9	Very high	75 Å²	75	92 Å²	92	49%	0.487	44%	0.436	S	S	.	.			trans	-55.3	143	-179.8	-28	35.4	0	0	0	113.5	T884 L885 K886	P882-T884 PolarHBondContact O-N 3.29Å; P882-L885 PolarHBondContact O-N 2.86Å; P882-K886 PolarHBondContact O-N 3.23Å
883	K	91.2	Very high	91.7	Very high	190 Å²	190	93.1 Å²	93.1	83%	0.826	44%	0.44	S	S	*	.	H	α-helix	trans	-53	-33.1	-174.5	-67.2	-175.6	179.5	180	0	114.4	S887	K883-S887 PolarHBondContact O-N 3.45Å; K883-S887 VanDerWaalsContact O-N 3.14Å
884	T	90.3	Very high	91.5	Very high	107 Å²	107	93.8 Å²	93.8	66%	0.656	45%	0.445	S	S	*	.	H	α-helix	trans	-67.6	-50.6	176.7	46	0	0	0	0	112.3	P882 S887 R888	P882-T884 PolarHBondContact O-N 3.29Å; T884-S887 PolarHBondContact O-N 3.29Å; T884-R888 PolarHBondContact O-N 2.95Å
885	L	91.2	Very high	91.2	Very high	82 Å²	82	90.6 Å²	90.6	43%	0.429	43%	0.432	S	S	.	.	H	α-helix	trans	-67.6	-37.6	176.5	-178.6	55.9	0	0	0	111.2	I881 P882 S887 R888 M889	I881-L885 HydrophobicContact CG2-CB 3.91Å; I881-L885 HydrophobicContact CG2-CD2 3.96Å; I881-L885 HydrophobicContact CG2-CG 3.83Å; P882-L885 PolarHBondContact O-N 2.86Å; L885-S887 PolarHBondContact O-N 2.89Å; L885-R888 PolarHBondContact O-N 2.71Å; L885-M889 HydrophobicContact CD1-CG 4.17Å; L885-M889 HydrophobicContact CD1-SD 4.31Å; L885-M889 HydrophobicContact CG-CG 4.38Å; L885-M889 HydrophobicContact CG-SD 3.97Å; L885-M889 VanDerWaalsContact O-CG 3.3Å; L885-M889 WeakPolarHBondContact O-CG 3.47Å; L885-M889 PolarHBondContact O-N 3.31Å
886	K	91.3	Very high	90.7	Very high	69 Å²	69	87.8 Å²	87.8	30%	0.3	42%	0.423	S	S	.	.	H	α-helix	trans	-51.4	-54.5	171.7	168.2	169.4	-168.8	160.4	0	111.9	I876 P882 R888 M889 E890	I876-K886 HydrophobicContact CD1-CG 4.22Å; I876-K886 HydrophobicContact CG2-CB 4.32Å; I876-K886 HydrophobicContact CG2-CD 3.68Å; I876-K886 HydrophobicContact CG2-CG 4.03Å; P882-K886 PolarHBondContact O-N 3.23Å; K886-R888 PolarHBondContact O-N 2.91Å; K886-M889 PolarHBondContact O-N 3.21Å; K886-E890 WeakPolarHBondContact CE-OE1 3.49Å; K886-E890 WeakPolarHBondContact CE-OE2 3.32Å; K886-E890 HydrophobicContact CG-CG 4.48Å; K886-E890 IonicContact NZ-OE1 3.02Å; K886-E890 PolarHBondContact O-N 2.89Å
887	S	90	Very high	90.4	Very high	58 Å²	58	90.3 Å²	90.3	41%	0.406	43%	0.432	S	S	.	.	H	α-helix	trans	-57.9	-52.4	-179.9	-162	0	0	0	0	110.2	K883 T884 L885 M889 E890 D891	K883-S887 PolarHBondContact O-N 3.45Å; K883-S887 VanDerWaalsContact O-N 3.14Å; T884-S887 PolarHBondContact O-N 3.29Å; L885-S887 PolarHBondContact O-N 2.89Å; S887-M889 VanDerWaalsContact C-N 3.25Å; S887-M889 PolarHBondContact O-N 3.34Å; S887-M889 VanDerWaalsContact O-N 3.17Å; S887-E890 PolarHBondContact O-N 2.78Å; S887-D891 VanDerWaalsContact C-OD2 3.26Å; S887-D891 VanDerWaalsContact O-CB 3.3Å; S887-D891 WeakPolarHBondContact O-CB 3.3Å; S887-D891 PolarHBondContact O-N 2.94Å; S887-D891 PolarHBondContact OG-OD2 3.4Å
888	R	89.9	Confident	90	Very high	106 Å²	106	86.5 Å²	86.5	40%	0.4	43%	0.426	S	S	.	.	H	α-helix	trans	-54.1	-39.8	178.5	-175.2	177.6	170.7	-165.2	-5	112.8	T884 L885 K886 F892 E958	T884-R888 PolarHBondContact O-N 2.95Å; L885-R888 PolarHBondContact O-N 2.71Å; K886-R888 PolarHBondContact O-N 2.91Å; R888-F892 WeakPolarHBondContact O-CB 3.31Å; R888-F892 PolarHBondContact O-N 3.01Å; R888-E958 IonicContact CZ-OE1 2.64Å; R888-E958 IonicContact NE-OE1 3.74Å; R888-E958 PolarHBondContact NE-OE1 2.88Å; R888-E958 IonicContact NH2-OE1 3.05Å; R888-E958 PolarHBondContact NH2-OE1 3.26Å
889	M	91.1	Very high	89.4	Confident	48 Å²	48	85.7 Å²	85.7	24%	0.236	42%	0.417	C	S	.	.	H	α-helix	trans	-68.8	-45.1	175.7	-70	173	72.3	0	0	112.8	L872 F875 I881 L885 K886 S887 F893	L872-M889 HydrophobicContact CD1-CE 3.96Å; F875-M889 HydrophobicContact CD1-CE 4.1Å; F875-M889 HydrophobicContact CE1-CE 3.94Å; I881-M889 HydrophobicContact CD1-CE 4.02Å; I881-M889 HydrophobicContact CD1-SD 3.89Å; I881-M889 HydrophobicContact CG2-SD 4.12Å; L885-M889 HydrophobicContact CD1-CG 4.17Å; L885-M889 HydrophobicContact CD1-SD 4.31Å; L885-M889 HydrophobicContact CG-CG 4.38Å; L885-M889 HydrophobicContact CG-SD 3.97Å; L885-M889 VanDerWaalsContact O-CG 3.3Å; L885-M889 WeakPolarHBondContact O-CG 3.47Å; L885-M889 PolarHBondContact O-N 3.31Å; K886-M889 PolarHBondContact O-N 3.21Å; S887-M889 VanDerWaalsContact C-N 3.25Å; S887-M889 PolarHBondContact O-N 3.34Å; S887-M889 VanDerWaalsContact O-N 3.17Å; M889-F893 VanDerWaalsContact O-CB 3.32Å; M889-F893 WeakPolarHBondContact O-CB 3.46Å; M889-F893 PolarHBondContact O-N 3Å
890	E	90	Very high	88.8	Confident	46 Å²	46	81.9 Å²	81.9	22%	0.215	41%	0.408	C	S	.	.	H	α-helix	trans	-66.7	-37.4	177.8	-71.5	-179.3	144.9	0	0	111.5	L872 I876 K886 S887 Q894	L872-E890 HydrophobicContact CD2-CG 4.41Å; I876-E890 HydrophobicContact CD1-CG 4.02Å; K886-E890 WeakPolarHBondContact CE-OE1 3.49Å; K886-E890 WeakPolarHBondContact CE-OE2 3.32Å; K886-E890 HydrophobicContact CG-CG 4.48Å; K886-E890 IonicContact NZ-OE1 3.02Å; K886-E890 PolarHBondContact O-N 2.89Å; S887-E890 PolarHBondContact O-N 2.78Å; E890-Q894 WeakPolarHBondContact O-CB 3.38Å; E890-Q894 WeakPolarHBondContact O-CG 3.47Å; E890-Q894 PolarHBondContact O-N 3.27Å; E890-Q894 PolarHBondContact O-NE2 3.22Å
891	D	87.3	Confident	88.1	Confident	78 Å²	78	79.7 Å²	79.7	42%	0.417	40%	0.4	S	S	.	.	H	α-helix	trans	-71.9	-44.9	177.9	-66.8	-43.3	0	0	0	111.8	S887 Q894 T895	S887-D891 VanDerWaalsContact C-OD2 3.26Å; S887-D891 VanDerWaalsContact O-CB 3.3Å; S887-D891 WeakPolarHBondContact O-CB 3.3Å; S887-D891 PolarHBondContact O-N 2.94Å; S887-D891 PolarHBondContact OG-OD2 3.4Å; D891-Q894 PolarHBondContact O-N 3.32Å; D891-T895 WeakPolarHBondContact O-CB 3.46Å; D891-T895 WeakPolarHBondContact O-CG2 3.46Å; D891-T895 PolarHBondContact O-N 3.14Å; D891-T895 PolarHBondContact O-OG1 3.21Å
892	F	87.3	Confident	87.4	Confident	82 Å²	82	79.9 Å²	79.9	36%	0.36	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-43.1	174.2	177.5	-91.6	0	0	0	111.7	R888 T895 T896 T955	R888-F892 WeakPolarHBondContact O-CB 3.31Å; R888-F892 PolarHBondContact O-N 3.01Å; F892-T895 WeakPolarHBondContact CA-OG1 3.35Å; F892-T895 PolarHBondContact O-OG1 3.4Å; F892-T895 VanDerWaalsContact O-OG1 3.12Å; F892-T896 WeakPolarHBondContact O-CB 3.38Å; F892-T896 PolarHBondContact O-N 3.08Å; F892-T896 PolarHBondContact O-OG1 3.42Å; F892-T955 HydrophobicContact CD2-CG2 4.4Å
893	F	89.7	Confident	87	Confident	52 Å²	52	80.3 Å²	80.3	23%	0.228	41%	0.405	C	S	.	.	H	α-helix	trans	-64.8	-45.3	177.6	-176.2	-93.6	0	0	0	111.7	F865 K868 V869 L872 M889 W897	F865-F893 AromaticContact CD2-CE1 3.84Å; F865-F893 HydrophobicContact CD2-CE1 3.84Å; F865-F893 HydrophobicContact CE2-CD1 4.18Å; F865-F893 AromaticContact CE2-CE1 3.65Å; F865-F893 HydrophobicContact CE2-CE1 3.65Å; K868-F893 HydrophobicContact CB-CE1 4.41Å; K868-F893 HydrophobicContact CB-CE2 4.2Å; K868-F893 HydrophobicContact CB-CZ 3.58Å; V869-F893 HydrophobicContact CG2-CD1 4Å; V869-F893 HydrophobicContact CG2-CE1 3.64Å; L872-F893 HydrophobicContact CD2-CB 3.83Å; L872-F893 HydrophobicContact CD2-CD1 4.32Å; L872-F893 HydrophobicContact CD2-CG 3.96Å; M889-F893 VanDerWaalsContact O-CB 3.32Å; M889-F893 WeakPolarHBondContact O-CB 3.46Å; M889-F893 PolarHBondContact O-N 3Å; F893-W897 HydrophobicContact CZ-CE3 4.12Å; F893-W897 VanDerWaalsContact O-CB 3.26Å; F893-W897 WeakPolarHBondContact O-CB 3.3Å; F893-W897 PolarHBondContact O-N 3.33Å
894	Q	88.5	Confident	86.5	Confident	102 Å²	102	75.5 Å²	75.5	48%	0.477	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-45.3	178.6	-77.3	173.1	88.2	0	0	112.6	F865 E890 D891 W897 A898	F865-Q894 HydrophobicContact CZ-CG 4.49Å; E890-Q894 WeakPolarHBondContact O-CB 3.38Å; E890-Q894 WeakPolarHBondContact O-CG 3.47Å; E890-Q894 PolarHBondContact O-N 3.27Å; E890-Q894 PolarHBondContact O-NE2 3.22Å; D891-Q894 PolarHBondContact O-N 3.32Å; Q894-W897 PolarHBondContact O-N 3.46Å; Q894-A898 WeakPolarHBondContact O-CB 3.3Å; Q894-A898 PolarHBondContact O-N 2.75Å
895	T	86.4	Confident	86.2	Confident	33 Å²	33	73.7 Å²	73.7	20%	0.202	38%	0.377	C	S	.	.	H	α-helix	trans	-66.5	-45.8	178.7	49.6	0	0	0	0	111.9	D891 F892 W897 A898 I899 T955 Y1032	D891-T895 WeakPolarHBondContact O-CB 3.46Å; D891-T895 WeakPolarHBondContact O-CG2 3.46Å; D891-T895 PolarHBondContact O-N 3.14Å; D891-T895 PolarHBondContact O-OG1 3.21Å; F892-T895 WeakPolarHBondContact CA-OG1 3.35Å; F892-T895 PolarHBondContact O-OG1 3.4Å; F892-T895 VanDerWaalsContact O-OG1 3.12Å; T895-W897 VanDerWaalsContact C-N 3.34Å; T895-W897 PolarHBondContact O-N 3.25Å; T895-A898 PolarHBondContact O-N 3.36Å; T895-I899 WeakPolarHBondContact O-CG1 3.42Å; T895-I899 PolarHBondContact O-N 3.02Å; T895-T955 HydrophobicContact CG2-CG2 4.49Å; T895-T955 WeakPolarHBondContact OG1-CG2 3.25Å; T895-Y1032 HydrophobicContact CG2-CE1 4.38Å
896	T	85.1	Confident	85.9	Confident	37 Å²	37	73 Å²	73	23%	0.227	38%	0.377	C	S	.	.	H	α-helix	trans	-60.1	-43.1	175.1	-59.4	0	0	0	0	111.6	F892 I899 N900	F892-T896 WeakPolarHBondContact O-CB 3.38Å; F892-T896 PolarHBondContact O-N 3.08Å; F892-T896 PolarHBondContact O-OG1 3.42Å; T896-I899 PolarHBondContact O-N 3.32Å; T896-N900 WeakPolarHBondContact O-CB 3.44Å; T896-N900 PolarHBondContact O-N 3.24Å
897	W	87	Confident	85.7	Confident	61 Å²	61	75.9 Å²	75.9	23%	0.231	39%	0.392	C	S	.	.	H	α-helix	trans	-66.6	-36.6	175.7	-172.7	-86.9	0	0	0	112.4	R861 F865 F893 Q894 T895 R901 G902	R861-W897 HydrophobicContact CG-CZ2 4.43Å; F865-W897 HydrophobicContact CB-CD2 4.46Å; F865-W897 HydrophobicContact CB-CH2 4.36Å; F865-W897 HydrophobicContact CB-CZ2 3.7Å; F865-W897 HydrophobicContact CD2-CB 4.24Å; F865-W897 AromaticContact CD2-CD1 3.42Å; F865-W897 VanDerWaalsContact CD2-CD1 3.42Å; F865-W897 AromaticContact CD2-CD2 3.58Å; F865-W897 HydrophobicContact CD2-CD2 3.58Å; F865-W897 AromaticContact CD2-CE2 3.63Å; F865-W897 HydrophobicContact CD2-CE3 4.3Å; F865-W897 AromaticContact CD2-CG 3.49Å; F865-W897 HydrophobicContact CD2-CG 3.49Å; F865-W897 VanDerWaalsContact CD2-CG 3.49Å; F865-W897 HydrophobicContact CD2-CZ2 4.39Å; F865-W897 AromaticContact CD2-NE1 3.5Å; F865-W897 HydrophobicContact CE2-CB 4.08Å; F865-W897 AromaticContact CE2-CD1 3.73Å; F865-W897 HydrophobicContact CE2-CD2 4.32Å; F865-W897 AromaticContact CE2-CG 3.77Å; F865-W897 HydrophobicContact CE2-CG 3.77Å; F865-W897 HydrophobicContact CG-CD2 4.44Å; F865-W897 HydrophobicContact CG-CZ2 4.5Å; F865-W897 AromaticContact CG-NE1 3.86Å; F893-W897 HydrophobicContact CZ-CE3 4.12Å; F893-W897 VanDerWaalsContact O-CB 3.26Å; F893-W897 WeakPolarHBondContact O-CB 3.3Å; F893-W897 PolarHBondContact O-N 3.33Å; Q894-W897 PolarHBondContact O-N 3.46Å; T895-W897 VanDerWaalsContact C-N 3.34Å; T895-W897 PolarHBondContact O-N 3.25Å; W897-R901 CarbonylContact O-C 3.47Å; W897-R901 WeakPolarHBondContact O-CA 3.36Å; W897-R901 PolarHBondContact O-N 3.09Å; W897-G902 PolarHBondContact O-N 3.32Å
898	A	84.9	Confident	85.6	Confident	71 Å²	71	76 Å²	76	59%	0.587	39%	0.39	S	S	*	.	H	α-helix	trans	-65.4	-40.9	176.6	0	0	0	0	0	112.4	Q894 T895	Q894-A898 WeakPolarHBondContact O-CB 3.3Å; Q894-A898 PolarHBondContact O-N 2.75Å; T895-A898 PolarHBondContact O-N 3.36Å
899	I	80.9	Confident	85.5	Confident	91 Å²	91	71.3 Å²	71.3	47%	0.467	37%	0.373	S	S	.	.	H	α-helix	trans	-72.7	-57.1	-179.1	-68.2	165.9	0	0	0	111	T895 T896 R901 F953	T895-I899 WeakPolarHBondContact O-CG1 3.42Å; T895-I899 PolarHBondContact O-N 3.02Å; T896-I899 PolarHBondContact O-N 3.32Å; I899-R901 PolarHBondContact O-N 3.48Å; I899-F953 HydrophobicContact CD1-CD1 4.09Å; I899-F953 HydrophobicContact CD1-CD2 3.99Å; I899-F953 HydrophobicContact CD1-CE1 3.52Å; I899-F953 HydrophobicContact CD1-CE2 3.41Å; I899-F953 VanDerWaalsContact CD1-CE2 3.41Å; I899-F953 HydrophobicContact CD1-CG 4.28Å; I899-F953 HydrophobicContact CD1-CZ 3.13Å
900	N	82.3	Confident	85.3	Confident	79 Å²	79	76.6 Å²	76.6	42%	0.422	40%	0.395	S	S	.	.	H	α-helix	trans	-73.7	-10.7	-179.6	-66.7	-17.8	0	0	0	112.5	T896 G902 I903	T896-N900 WeakPolarHBondContact O-CB 3.44Å; T896-N900 PolarHBondContact O-N 3.24Å; N900-G902 PolarHBondContact O-N 3.02Å; N900-I903 WeakPolarHBondContact O-CG1 3.31Å; N900-I903 PolarHBondContact O-N 2.76Å
901	R	79.2	Confident	85.4	Confident	180 Å²	180	80.7 Å²	80.7	68%	0.679	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	12.8	-169.7	-54.5	-176.1	-178.8	-164.6	-1.8	113.7	R861 W897 I899	R861-R901 PolarHBondContact NE-O 3.42Å; R861-R901 PolarHBondContact NH2-O 3Å; W897-R901 CarbonylContact O-C 3.47Å; W897-R901 WeakPolarHBondContact O-CA 3.36Å; W897-R901 PolarHBondContact O-N 3.09Å; I899-R901 PolarHBondContact O-N 3.48Å
902	G	77.9	Confident	85.4	Confident	30 Å²	30	81.5 Å²	81.5	31%	0.309	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	52.2	-164.2	0	0	0	0	0	113.3	R861 W897 N900	R861-G902 PolarHBondContact NH2-O 3.1Å; W897-G902 PolarHBondContact O-N 3.32Å; N900-G902 PolarHBondContact O-N 3.02Å
903	I	84.9	Confident	85.6	Confident	84 Å²	84	81.5 Å²	81.5	43%	0.431	42%	0.423	S	S	.	.			trans	-109.4	128.5	163.3	-57.5	177.6	0	0	0	107.2	N900 V908	N900-I903 WeakPolarHBondContact O-CG1 3.31Å; N900-I903 PolarHBondContact O-N 2.76Å; I903-V908 HydrophobicContact CG2-CG2 3.76Å
904	D	82.3	Confident	85.4	Confident	89 Å²	89	86.8 Å²	86.8	48%	0.476	45%	0.448	S	S	.	.			trans	-86	121	166.6	-174.8	55.5	0	0	0	110.4	P906 E907 V908	D904-P906 WeakPolarHBondContact OD1-CD 3.26Å; D904-P906 WeakPolarHBondContact OD2-CD 3.39Å; D904-E907 HydrophobicContact CB-CB 4.12Å; D904-E907 WeakPolarHBondContact OD2-CB 3.48Å; D904-E907 PolarHBondContact OD2-N 3.46Å; D904-V908 WeakPolarHBondContact O-CG2 3.36Å; D904-V908 PolarHBondContact O-N 3.21Å
905	V	84.1	Confident	85.2	Confident	70 Å²	70	88.3 Å²	88.3	42%	0.424	46%	0.455	S	S	.	.	H	α-helix	trans	-72.7	-45	-173.2	179.1	0	0	0	0	112.1	E907 V908 L909	V905-E907 VanDerWaalsContact C-N 3.34Å; V905-E907 PolarHBondContact O-N 3.29Å; V905-V908 PolarHBondContact O-N 2.85Å; V905-L909 HydrophobicContact CG1-CD1 3.72Å; V905-L909 HydrophobicContact CG1-CG 4.28Å; V905-L909 WeakPolarHBondContact O-CG 3.38Å; V905-L909 PolarHBondContact O-N 3.46Å
906	P	84	Confident	85.4	Confident	66 Å²	66	89.9 Å²	89.9	43%	0.429	46%	0.462	S	S	.	.	H	α-helix	trans	-61.7	-34.1	175	-25.3	36.1	0	0	0	114.5	D904 K910	D904-P906 WeakPolarHBondContact OD1-CD 3.26Å; D904-P906 WeakPolarHBondContact OD2-CD 3.39Å; P906-K910 WeakPolarHBondContact O-CD 3.32Å; P906-K910 WeakPolarHBondContact O-CE 3.47Å; P906-K910 VanDerWaalsContact O-CG 3.28Å; P906-K910 WeakPolarHBondContact O-CG 3.48Å; P906-K910 PolarHBondContact O-N 3.22Å
907	E	86.8	Confident	85.6	Confident	131 Å²	131	90.2 Å²	90.2	61%	0.612	46%	0.461	S	S	*	.	H	α-helix	trans	-63.6	-49.4	173	-173.1	173.7	-141.1	0	0	111.9	D904 V905 L909 K910	D904-E907 HydrophobicContact CB-CB 4.12Å; D904-E907 WeakPolarHBondContact OD2-CB 3.48Å; D904-E907 PolarHBondContact OD2-N 3.46Å; V905-E907 VanDerWaalsContact C-N 3.34Å; V905-E907 PolarHBondContact O-N 3.29Å; E907-L909 VanDerWaalsContact C-N 3.32Å; E907-L909 PolarHBondContact O-N 3.27Å; E907-K910 PolarHBondContact O-N 3.47Å
908	V	88.3	Confident	85.6	Confident	59 Å²	59	87.3 Å²	87.3	36%	0.358	45%	0.45	S	S	.	.	H	α-helix	trans	-62.3	-37.1	179.8	171.8	0	0	0	0	112.3	I903 D904 V905 I911 Y912	I903-V908 HydrophobicContact CG2-CG2 3.76Å; D904-V908 WeakPolarHBondContact O-CG2 3.36Å; D904-V908 PolarHBondContact O-N 3.21Å; V905-V908 PolarHBondContact O-N 2.85Å; V908-I911 WeakPolarHBondContact O-CB 3.34Å; V908-I911 PolarHBondContact O-N 3.05Å; V908-Y912 HydrophobicContact CG1-CE2 4.32Å; V908-Y912 WeakPolarHBondContact O-CD2 3.31Å; V908-Y912 WeakPolarHBondContact O-CE2 3.49Å
909	L	87.2	Confident	85.8	Confident	9 Å²	9	85.5 Å²	85.5	5%	0.047	43%	0.43	C	S	.	.	H	α-helix	trans	-71.5	-30.6	-176.8	-70.5	172.5	0	0	0	113.5	V905 E907 I911 Y912 Q917 I920 Y921	V905-L909 HydrophobicContact CG1-CD1 3.72Å; V905-L909 HydrophobicContact CG1-CG 4.28Å; V905-L909 WeakPolarHBondContact O-CG 3.38Å; V905-L909 PolarHBondContact O-N 3.46Å; E907-L909 VanDerWaalsContact C-N 3.32Å; E907-L909 PolarHBondContact O-N 3.27Å; L909-I911 PolarHBondContact O-N 3Å; L909-I911 VanDerWaalsContact O-N 3.07Å; L909-Y912 PolarHBondContact O-N 3.16Å; L909-Y912 VanDerWaalsContact O-N 3.12Å; L909-Q917 WeakPolarHBondContact O-CG 3.48Å; L909-Q917 PolarHBondContact O-NE2 2.9Å; L909-I920 HydrophobicContact CD2-CB 4.25Å; L909-I920 HydrophobicContact CD2-CD1 4.18Å; L909-I920 HydrophobicContact CD2-CG2 3.7Å; L909-Y921 HydrophobicContact CD1-CE1 4.01Å; L909-Y921 HydrophobicContact CD1-CE2 3.8Å; L909-Y921 WeakPolarHBondContact CD1-OH 3.3Å
910	K	88	Confident	86.3	Confident	158 Å²	158	83.8 Å²	83.8	69%	0.687	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-18	176.4	-72.2	161.6	-171.1	167.1	0	114.1	P906 E907 Y912	P906-K910 WeakPolarHBondContact O-CD 3.32Å; P906-K910 WeakPolarHBondContact O-CE 3.47Å; P906-K910 VanDerWaalsContact O-CG 3.28Å; P906-K910 WeakPolarHBondContact O-CG 3.48Å; P906-K910 PolarHBondContact O-N 3.22Å; E907-K910 PolarHBondContact O-N 3.47Å; K910-Y912 VanDerWaalsContact C-N 3.31Å
911	I	90.4	Very high	86.7	Confident	132 Å²	132	82.2 Å²	82.2	68%	0.677	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-22.8	179.9	-54	174.2	0	0	0	111.6	V908 L909	V908-I911 WeakPolarHBondContact O-CB 3.34Å; V908-I911 PolarHBondContact O-N 3.05Å; L909-I911 PolarHBondContact O-N 3Å; L909-I911 VanDerWaalsContact O-N 3.07Å
912	Y	89	Confident	87.2	Confident	95 Å²	95	76.1 Å²	76.1	37%	0.373	39%	0.391	S	S	.	.	S	Bend	trans	-98.7	150.9	-175.6	-61.6	-86.9	0	0	0	112.1	V908 L909 K910 Q917 I920	V908-Y912 HydrophobicContact CG1-CE2 4.32Å; V908-Y912 WeakPolarHBondContact O-CD2 3.31Å; V908-Y912 WeakPolarHBondContact O-CE2 3.49Å; L909-Y912 PolarHBondContact O-N 3.16Å; L909-Y912 VanDerWaalsContact O-N 3.12Å; K910-Y912 VanDerWaalsContact C-N 3.31Å; Y912-Q917 WeakPolarHBondContact O-CG 3.4Å; Y912-Q917 PolarHBondContact O-NE2 2.84Å; Y912-I920 HydrophobicContact CD1-CD1 4.45Å; Y912-I920 HydrophobicContact CD2-CD1 4.24Å; Y912-I920 HydrophobicContact CG-CD1 4.17Å
913	P	91.1	Very high	87.7	Confident	83 Å²	83	80.3 Å²	80.3	54%	0.539	40%	0.402	S	S	.	.			trans	-67.8	152.7	171.1	29.8	-35.9	0	0	0	111.7	E915 L916 Q917	P913-E915 VanDerWaalsContact C-N 3.27Å; P913-E915 PolarHBondContact O-N 3.12Å; P913-E915 VanDerWaalsContact O-N 3.12Å; P913-L916 HydrophobicContact CG-CB 4.21Å; P913-L916 HydrophobicContact CG-CD1 3.93Å; P913-L916 HydrophobicContact CG-CG 4.15Å; P913-L916 PolarHBondContact O-N 3.11Å; P913-Q917 PolarHBondContact O-N 3.14Å
914	E	85.9	Confident	87.9	Confident	162 Å²	162	80.7 Å²	80.7	76%	0.757	40%	0.404	S	S	*	.	H	α-helix	trans	-52	-37.6	-173.7	-64.7	175.8	-177.6	0	0	114.2	L916 Q917 G918	E914-L916 VanDerWaalsContact C-N 3.35Å; E914-L916 PolarHBondContact O-N 3.37Å; E914-Q917 PolarHBondContact O-N 2.98Å; E914-G918 PolarHBondContact O-N 2.95Å
915	E	83.3	Confident	88.2	Confident	134 Å²	134	76.6 Å²	76.6	63%	0.626	38%	0.383	S	S	*	.	H	α-helix	trans	-59.7	-45.1	176.4	-66.6	-167.6	165.7	0	0	112	P913 D919 K943	P913-E915 VanDerWaalsContact C-N 3.27Å; P913-E915 PolarHBondContact O-N 3.12Å; P913-E915 VanDerWaalsContact O-N 3.12Å; E915-D919 PolarHBondContact O-N 2.82Å; E915-D919 VanDerWaalsContact O-N 3.13Å; E915-K943 PolarHBondContact O-NZ 3.14Å
916	L	89.7	Confident	88.4	Confident	67 Å²	67	79.1 Å²	79.1	35%	0.351	39%	0.385	S	S	.	.	H	α-helix	trans	-74.7	-37.2	177.5	-71.7	179.7	0	0	0	111.9	P913 E914 G918 D919 I920	P913-L916 HydrophobicContact CG-CB 4.21Å; P913-L916 HydrophobicContact CG-CD1 3.93Å; P913-L916 HydrophobicContact CG-CG 4.15Å; P913-L916 PolarHBondContact O-N 3.11Å; E914-L916 VanDerWaalsContact C-N 3.35Å; E914-L916 PolarHBondContact O-N 3.37Å; L916-G918 VanDerWaalsContact C-N 3.31Å; L916-G918 PolarHBondContact O-N 3.45Å; L916-D919 PolarHBondContact O-N 2.92Å; L916-I920 WeakPolarHBondContact O-CD1 3.31Å; L916-I920 VanDerWaalsContact O-CG1 3.24Å; L916-I920 WeakPolarHBondContact O-CG1 3.35Å; L916-I920 PolarHBondContact O-N 3.02Å
917	Q	89.9	Confident	88.3	Confident	44 Å²	44	78.4 Å²	78.4	21%	0.206	38%	0.376	C	S	.	.	H	α-helix	trans	-54.7	-50.2	170.5	-66	-178.1	20.3	0	0	110.1	L909 Y912 P913 E914 D919 I920 Y921	L909-Q917 WeakPolarHBondContact O-CG 3.48Å; L909-Q917 PolarHBondContact O-NE2 2.9Å; Y912-Q917 WeakPolarHBondContact O-CG 3.4Å; Y912-Q917 PolarHBondContact O-NE2 2.84Å; P913-Q917 PolarHBondContact O-N 3.14Å; E914-Q917 PolarHBondContact O-N 2.98Å; Q917-D919 VanDerWaalsContact C-N 3.33Å; Q917-D919 PolarHBondContact O-N 3.39Å; Q917-I920 PolarHBondContact O-N 2.94Å; Q917-I920 VanDerWaalsContact O-N 3.13Å; Q917-Y921 HydrophobicContact CB-CD2 4.41Å; Q917-Y921 WeakPolarHBondContact O-CB 3.23Å; Q917-Y921 VanDerWaalsContact O-CD2 3.23Å; Q917-Y921 WeakPolarHBondContact O-CD2 3.41Å; Q917-Y921 PolarHBondContact O-N 3.44Å
918	G	86.7	Confident	88.2	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-34.4	178.5	0	0	0	0	0	114.1	E914 L916 L922	E914-G918 PolarHBondContact O-N 2.95Å; L916-G918 VanDerWaalsContact C-N 3.31Å; L916-G918 PolarHBondContact O-N 3.45Å; G918-L922 VanDerWaalsContact O-CB 3.32Å; G918-L922 WeakPolarHBondContact O-CB 3.5Å; G918-L922 PolarHBondContact O-N 3.24Å
919	D	89.7	Confident	88.1	Confident	32 Å²	32	70.4 Å²	70.4	17%	0.171	34%	0.335	C	S	.	.	H	α-helix	trans	-74.7	-31.5	173.5	-69.3	-41.3	0	0	0	112.6	Y283 E915 L916 Q917 H923 R939 K943	Y283-D919 VanDerWaalsContact CE1-OD2 3.24Å; Y283-D919 WeakPolarHBondContact CE1-OD2 3.22Å; Y283-D919 VanDerWaalsContact CZ-OD2 3.3Å; Y283-D919 PolarHBondContact OH-OD2 3.37Å; E915-D919 PolarHBondContact O-N 2.82Å; E915-D919 VanDerWaalsContact O-N 3.13Å; L916-D919 PolarHBondContact O-N 2.92Å; Q917-D919 VanDerWaalsContact C-N 3.33Å; Q917-D919 PolarHBondContact O-N 3.39Å; D919-H923 PolarHBondContact O-N 3.43Å; D919-R939 IonicContact OD1-CZ 2.67Å; D919-R939 IonicContact OD1-NH2 3.88Å; D919-R939 PolarHBondContact OD1-NH2 2.65Å; D919-R939 IonicContact OD2-NH2 2.77Å; D919-R939 PolarHBondContact OD2-NH2 3.02Å; D919-K943 WeakPolarHBondContact OD1-CE 3.49Å; D919-K943 IonicContact OD1-NZ 2.75Å; D919-K943 PolarHBondContact OD1-NZ 2.96Å; D919-K943 IonicContact OD2-NZ 3.21Å; D919-K943 PolarHBondContact OD2-NZ 3.32Å
920	I	90.8	Very high	87.8	Confident	55 Å²	55	73 Å²	73	28%	0.282	36%	0.363	S	S	.	.	H	α-helix	trans	-69.5	-47.2	172.7	-66.4	160.8	0	0	0	110.4	L909 Y912 L916 Q917 L922 H923 L924	L909-I920 HydrophobicContact CD2-CB 4.25Å; L909-I920 HydrophobicContact CD2-CD1 4.18Å; L909-I920 HydrophobicContact CD2-CG2 3.7Å; Y912-I920 HydrophobicContact CD1-CD1 4.45Å; Y912-I920 HydrophobicContact CD2-CD1 4.24Å; Y912-I920 HydrophobicContact CG-CD1 4.17Å; L916-I920 WeakPolarHBondContact O-CD1 3.31Å; L916-I920 VanDerWaalsContact O-CG1 3.24Å; L916-I920 WeakPolarHBondContact O-CG1 3.35Å; L916-I920 PolarHBondContact O-N 3.02Å; Q917-I920 PolarHBondContact O-N 2.94Å; Q917-I920 VanDerWaalsContact O-N 3.13Å; I920-L922 VanDerWaalsContact C-N 3.28Å; I920-L922 PolarHBondContact O-N 2.88Å; I920-H923 CarbonylContact O-C 3.48Å; I920-H923 WeakPolarHBondContact O-CA 3.42Å; I920-H923 WeakPolarHBondContact O-CB 3.38Å; I920-H923 PolarHBondContact O-N 3.31Å; I920-L924 HydrophobicContact CG2-CD1 4.04Å; I920-L924 HydrophobicContact CG2-CG 4.29Å; I920-L924 WeakPolarHBondContact O-CG 3.41Å; I920-L924 PolarHBondContact O-N 3.48Å
921	Y	90.6	Very high	87.6	Confident	46 Å²	46	66.8 Å²	66.8	18%	0.18	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-38.9	174.7	-86.3	-67.9	0	0	0	112.1	L909 Q917 H923 L924 N925 A946 I947	L909-Y921 HydrophobicContact CD1-CE1 4.01Å; L909-Y921 HydrophobicContact CD1-CE2 3.8Å; L909-Y921 WeakPolarHBondContact CD1-OH 3.3Å; Q917-Y921 HydrophobicContact CB-CD2 4.41Å; Q917-Y921 WeakPolarHBondContact O-CB 3.23Å; Q917-Y921 VanDerWaalsContact O-CD2 3.23Å; Q917-Y921 WeakPolarHBondContact O-CD2 3.41Å; Q917-Y921 PolarHBondContact O-N 3.44Å; Y921-H923 VanDerWaalsContact C-N 3.27Å; Y921-H923 PolarHBondContact O-N 2.89Å; Y921-L924 PolarHBondContact O-N 3.49Å; Y921-N925 WeakPolarHBondContact O-CB 3.38Å; Y921-N925 PolarHBondContact O-N 3.06Å; Y921-N925 PolarHBondContact O-ND2 3Å; Y921-A946 WeakPolarHBondContact CB-O 3.32Å; Y921-A946 VanDerWaalsContact CD1-O 3.28Å; Y921-A946 WeakPolarHBondContact CD1-O 3.33Å; Y921-I947 HydrophobicContact CD2-CB 4.27Å; Y921-I947 HydrophobicContact CD2-CG1 3.75Å; Y921-I947 HydrophobicContact CE2-CG1 4.34Å; Y921-I947 HydrophobicContact CE2-CG2 4.35Å; Y921-I947 HydrophobicContact CG-CG1 4.23Å
922	L	89.7	Confident	87.1	Confident	52 Å²	52	68.9 Å²	68.9	27%	0.272	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-35.5	173.2	-167.8	76.6	0	0	0	112	G918 I920 R926 L929 L942	G918-L922 VanDerWaalsContact O-CB 3.32Å; G918-L922 WeakPolarHBondContact O-CB 3.5Å; G918-L922 PolarHBondContact O-N 3.24Å; I920-L922 VanDerWaalsContact C-N 3.28Å; I920-L922 PolarHBondContact O-N 2.88Å; L922-R926 PolarHBondContact O-N 3.37Å; L922-L929 HydrophobicContact CD1-CD1 3.9Å; L922-L942 HydrophobicContact CD1-CB 3.98Å
923	H	89.7	Confident	86.6	Confident	119 Å²	119	65 Å²	65	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-75	-40.7	175.1	-169	94.6	0	0	0	112.9	D919 I920 Y921 R926	D919-H923 PolarHBondContact O-N 3.43Å; I920-H923 CarbonylContact O-C 3.48Å; I920-H923 WeakPolarHBondContact O-CA 3.42Å; I920-H923 WeakPolarHBondContact O-CB 3.38Å; I920-H923 PolarHBondContact O-N 3.31Å; Y921-H923 VanDerWaalsContact C-N 3.27Å; Y921-H923 PolarHBondContact O-N 2.89Å; H923-R926 VanDerWaalsContact O-CB 3.29Å; H923-R926 WeakPolarHBondContact O-CB 3.12Å; H923-R926 VanDerWaalsContact O-CD 3.3Å; H923-R926 WeakPolarHBondContact O-CD 3.22Å; H923-R926 WeakPolarHBondContact O-CG 3.21Å; H923-R926 PolarHBondContact O-N 3.47Å
924	L	87.9	Confident	86.3	Confident	91 Å²	91	61.2 Å²	61.2	48%	0.476	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-44	177.8	-68.9	172.7	0	0	0	111.4	I920 Y921 R926	I920-L924 HydrophobicContact CG2-CD1 4.04Å; I920-L924 HydrophobicContact CG2-CG 4.29Å; I920-L924 WeakPolarHBondContact O-CG 3.41Å; I920-L924 PolarHBondContact O-N 3.48Å; Y921-L924 PolarHBondContact O-N 3.49Å; L924-R926 VanDerWaalsContact C-N 3.29Å; L924-R926 PolarHBondContact O-N 3.36Å
925	N	89.4	Confident	86.1	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.021	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	14.9	-178.5	-67.5	-53.9	0	0	0	113.6	Y921 E927 V928 L929 A946 F949 H1036	Y921-N925 WeakPolarHBondContact O-CB 3.38Å; Y921-N925 PolarHBondContact O-N 3.06Å; Y921-N925 PolarHBondContact O-ND2 3Å; N925-E927 PolarHBondContact O-N 2.87Å; N925-E927 VanDerWaalsContact O-N 3.13Å; N925-V928 PolarHBondContact O-N 3.31Å; N925-V928 VanDerWaalsContact O-N 3.1Å; N925-L929 HydrophobicContact CB-CD1 3.89Å; N925-L929 HydrophobicContact CB-CG 4.26Å; N925-L929 WeakPolarHBondContact O-CG 3.41Å; N925-L929 PolarHBondContact O-N 3.42Å; N925-A946 PolarHBondContact ND2-O 3.32Å; N925-F949 HydrophobicContact CB-CB 4.37Å; N925-F949 WeakPolarHBondContact ND2-CB 3.46Å; N925-F949 PolarHBondContact ND2-O 2.74Å; N925-H1036 PolarHBondContact OD1-CE1 3.3Å; N925-H1036 PolarHBondContact OD1-ND1 2.97Å
926	R	87.8	Confident	85.9	Confident	123 Å²	123	61.9 Å²	61.9	46%	0.464	30%	0.304	S	S	.	.	H	α-helix	trans	-58.4	-25.9	-174.6	72.3	-175.3	-171	178.4	7	115.3	L922 H923 L924 G930	L922-R926 PolarHBondContact O-N 3.37Å; H923-R926 VanDerWaalsContact O-CB 3.29Å; H923-R926 WeakPolarHBondContact O-CB 3.12Å; H923-R926 VanDerWaalsContact O-CD 3.3Å; H923-R926 WeakPolarHBondContact O-CD 3.22Å; H923-R926 WeakPolarHBondContact O-CG 3.21Å; H923-R926 PolarHBondContact O-N 3.47Å; L924-R926 VanDerWaalsContact C-N 3.29Å; L924-R926 PolarHBondContact O-N 3.36Å; R926-G930 WeakPolarHBondContact O-CA 3.41Å; R926-G930 PolarHBondContact O-N 2.89Å
927	E	82.2	Confident	85.7	Confident	51 Å²	51	59.2 Å²	59.2	24%	0.238	29%	0.292	C	S	.	.	H	α-helix	trans	-78.3	-33.4	179.6	-60.3	-161.9	-162.8	0	0	111.2	N925 K992 L1208	N925-E927 PolarHBondContact O-N 2.87Å; N925-E927 VanDerWaalsContact O-N 3.13Å; E927-K992 IonicContact OE2-NZ 3.76Å; E927-K992 PolarHBondContact OE2-NZ 3.33Å; E927-L1208 WeakPolarHBondContact OE1-CD1 3.38Å
928	V	85	Confident	85.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-72.7	-50.3	170.7	-158.5	0	0	0	0	110.3	N925 G930 L931 F934 F949 F972 W995 H1036	N925-V928 PolarHBondContact O-N 3.31Å; N925-V928 VanDerWaalsContact O-N 3.1Å; V928-G930 PolarHBondContact O-N 3.47Å; V928-L931 WeakPolarHBondContact O-CB 3.38Å; V928-L931 VanDerWaalsContact O-CG 3.26Å; V928-L931 WeakPolarHBondContact O-CG 3.32Å; V928-L931 PolarHBondContact O-N 3.13Å; V928-F934 HydrophobicContact CG1-CE2 4.26Å; V928-F934 WeakPolarHBondContact O-CD2 3.37Å; V928-F934 VanDerWaalsContact O-CE2 3.26Å; V928-F934 WeakPolarHBondContact O-CE2 3.48Å; V928-F949 HydrophobicContact CG1-CE1 4.17Å; V928-F949 HydrophobicContact CG1-CE2 4.44Å; V928-F949 HydrophobicContact CG1-CZ 3.98Å; V928-F972 HydrophobicContact CB-CD1 4.22Å; V928-F972 HydrophobicContact CB-CE1 4.25Å; V928-F972 HydrophobicContact CG1-CD1 3.98Å; V928-F972 HydrophobicContact CG1-CE1 4.31Å; V928-F972 HydrophobicContact CG1-CG 4.15Å; V928-F972 HydrophobicContact CG2-CD1 3.66Å; V928-F972 HydrophobicContact CG2-CE1 3.87Å; V928-W995 HydrophobicContact CG1-CH2 3.71Å; V928-W995 HydrophobicContact CG1-CZ2 3.71Å; V928-H1036 HydrophobicContact CG2-CB 3.76Å; V928-H1036 VanDerWaalsContact CG2-CG 3.44Å
929	L	85.8	Confident	85.5	Confident	21 Å²	21	67.3 Å²	67.3	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-77.7	-5.3	-174.4	-59.2	174.8	0	0	0	113.4	L922 N925 F934 L942 A946 F949	L922-L929 HydrophobicContact CD1-CD1 3.9Å; N925-L929 HydrophobicContact CB-CD1 3.89Å; N925-L929 HydrophobicContact CB-CG 4.26Å; N925-L929 WeakPolarHBondContact O-CG 3.41Å; N925-L929 PolarHBondContact O-N 3.42Å; L929-F934 HydrophobicContact CD2-CD1 3.84Å; L929-F934 HydrophobicContact CD2-CD2 4.27Å; L929-F934 HydrophobicContact CD2-CE1 4.05Å; L929-F934 HydrophobicContact CD2-CE2 4.46Å; L929-F934 HydrophobicContact CD2-CG 3.96Å; L929-F934 HydrophobicContact CD2-CZ 4.36Å; L929-F934 WeakPolarHBondContact O-CB 3.31Å; L929-L942 HydrophobicContact CD2-CD2 4.23Å; L929-A946 HydrophobicContact CD1-CB 3.68Å; L929-F949 HydrophobicContact CD2-CD2 4.33Å; L929-F949 HydrophobicContact CD2-CE2 3.95Å
930	G	81.8	Confident	85.3	Confident	63 Å²	63	70.5 Å²	70.5	65%	0.649	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.2	169.8	0	0	0	0	0	114.2	R926 V928	R926-G930 WeakPolarHBondContact O-CA 3.41Å; R926-G930 PolarHBondContact O-N 2.89Å; V928-G930 PolarHBondContact O-N 3.47Å
931	L	82.4	Confident	85.2	Confident	28 Å²	28	67.9 Å²	67.9	15%	0.147	33%	0.331	C	S	.	.	S	Bend	trans	-71.2	144.8	172	-60.9	173.6	0	0	0	110.8	V928 V933 F934 F972 W995	V928-L931 WeakPolarHBondContact O-CB 3.38Å; V928-L931 VanDerWaalsContact O-CG 3.26Å; V928-L931 WeakPolarHBondContact O-CG 3.32Å; V928-L931 PolarHBondContact O-N 3.13Å; L931-V933 HydrophobicContact CB-CG2 4.26Å; L931-V933 PolarHBondContact O-N 3.19Å; L931-F934 HydrophobicContact CB-CD2 4.09Å; L931-F934 HydrophobicContact CB-CE2 4.42Å; L931-F934 HydrophobicContact CD1-CE2 4.47Å; L931-F934 PolarHBondContact O-N 3.08Å; L931-F972 HydrophobicContact CD1-CD2 4.42Å; L931-F972 HydrophobicContact CD1-CE2 3.68Å; L931-F972 HydrophobicContact CD1-CZ 4.03Å; L931-W995 HydrophobicContact CD1-CZ2 4.01Å
932	K	80	Confident	85.2	Confident	176 Å²	176	67.1 Å²	67.1	77%	0.765	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-27.1	-176	-63.3	179.2	-178	172.6	0	115.2	F934 E935	K932-F934 VanDerWaalsContact C-N 3.29Å; K932-F934 PolarHBondContact O-N 3.03Å; K932-E935 WeakPolarHBondContact O-CB 3.14Å; K932-E935 PolarHBondContact O-N 3.29Å
933	V	78.8	Confident	85.2	Confident	13 Å²	13	66.3 Å²	66.3	8%	0.079	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-45.7	177.1	-142.1	0	0	0	0	110.8	L931 E935 F1053 L1057 Y1060	L931-V933 HydrophobicContact CB-CG2 4.26Å; L931-V933 PolarHBondContact O-N 3.19Å; V933-E935 VanDerWaalsContact C-N 3.31Å; V933-E935 PolarHBondContact O-N 3.06Å; V933-F1053 HydrophobicContact CG1-CE2 4.48Å; V933-F1053 WeakPolarHBondContact O-CE2 3.35Å; V933-L1057 HydrophobicContact CG1-CD1 3.89Å; V933-Y1060 HydrophobicContact CB-CD1 4.37Å; V933-Y1060 HydrophobicContact CB-CG 4.28Å; V933-Y1060 HydrophobicContact CG1-CD1 4.03Å; V933-Y1060 HydrophobicContact CG1-CD2 4.31Å; V933-Y1060 HydrophobicContact CG1-CG 3.71Å; V933-Y1060 HydrophobicContact CG2-CD1 3.41Å; V933-Y1060 VanDerWaalsContact CG2-CD1 3.41Å; V933-Y1060 HydrophobicContact CG2-CD2 3.73Å; V933-Y1060 HydrophobicContact CG2-CE1 3.44Å; V933-Y1060 VanDerWaalsContact CG2-CE1 3.44Å; V933-Y1060 HydrophobicContact CG2-CE2 3.77Å; V933-Y1060 HydrophobicContact CG2-CG 3.55Å
934	F	84.7	Confident	85.1	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.018	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-79.6	-13.7	-173.2	-61.4	-69	0	0	0	112.8	V928 L929 L931 K932 K936 A937 L942 L945 F949 W995 F1053	V928-F934 HydrophobicContact CG1-CE2 4.26Å; V928-F934 WeakPolarHBondContact O-CD2 3.37Å; V928-F934 VanDerWaalsContact O-CE2 3.26Å; V928-F934 WeakPolarHBondContact O-CE2 3.48Å; L929-F934 HydrophobicContact CD2-CD1 3.84Å; L929-F934 HydrophobicContact CD2-CD2 4.27Å; L929-F934 HydrophobicContact CD2-CE1 4.05Å; L929-F934 HydrophobicContact CD2-CE2 4.46Å; L929-F934 HydrophobicContact CD2-CG 3.96Å; L929-F934 HydrophobicContact CD2-CZ 4.36Å; L929-F934 WeakPolarHBondContact O-CB 3.31Å; L931-F934 HydrophobicContact CB-CD2 4.09Å; L931-F934 HydrophobicContact CB-CE2 4.42Å; L931-F934 HydrophobicContact CD1-CE2 4.47Å; L931-F934 PolarHBondContact O-N 3.08Å; K932-F934 VanDerWaalsContact C-N 3.29Å; K932-F934 PolarHBondContact O-N 3.03Å; F934-K936 PolarHBondContact O-N 3.2Å; F934-A937 WeakPolarHBondContact O-CB 3.37Å; F934-A937 PolarHBondContact O-N 3.05Å; F934-L942 HydrophobicContact CB-CD2 3.83Å; F934-L942 HydrophobicContact CD1-CD2 4.26Å; F934-L942 HydrophobicContact CG-CD2 4.43Å; F934-L945 HydrophobicContact CD1-CD1 4.24Å; F934-L945 HydrophobicContact CE1-CD1 4.01Å; F934-F949 HydrophobicContact CZ-CZ 4.43Å; F934-W995 HydrophobicContact CE2-CZ2 4.24Å; F934-W995 HydrophobicContact CZ-CH2 4.45Å; F934-W995 HydrophobicContact CZ-CZ2 4.38Å; F934-F1053 HydrophobicContact CD1-CE1 4.39Å; F934-F1053 HydrophobicContact CD1-CE2 4.35Å; F934-F1053 AromaticContact CD1-CZ 3.61Å; F934-F1053 HydrophobicContact CD1-CZ 3.61Å; F934-F1053 HydrophobicContact CE1-CE1 4.24Å; F934-F1053 AromaticContact CE1-CZ 3.7Å; F934-F1053 HydrophobicContact CE1-CZ 3.7Å
935	E	81.4	Confident	85.3	Confident	166 Å²	166	58.2 Å²	58.2	78%	0.776	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-58.6	-29.1	174.8	-169.5	174.2	-175	0	0	112.7	K932 V933	K932-E935 WeakPolarHBondContact O-CB 3.14Å; K932-E935 PolarHBondContact O-N 3.29Å; V933-E935 VanDerWaalsContact C-N 3.31Å; V933-E935 PolarHBondContact O-N 3.06Å
936	K	80.2	Confident	85.4	Confident	144 Å²	144	58 Å²	58	63%	0.626	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-89.7	-11.9	176.3	-65.5	-175.8	176.3	177	0	114.6	F934 E1056	F934-K936 PolarHBondContact O-N 3.2Å; K936-E1056 VanDerWaalsContact CD-CD 3.44Å; K936-E1056 WeakPolarHBondContact CD-OE1 3.48Å; K936-E1056 WeakPolarHBondContact CD-OE2 3.43Å; K936-E1056 WeakPolarHBondContact CE-OE1 3.45Å; K936-E1056 IonicContact NZ-OE1 2.78Å; K936-E1056 PolarHBondContact NZ-OE1 3.31Å
937	A	84.6	Confident	85.4	Confident	12 Å²	12	55.4 Å²	55.4	10%	0.099	28%	0.282	C	S	.	.	S	Bend	trans	-74	136.4	-177.1	0	0	0	0	0	110.7	F934 C941 L942 F1053	F934-A937 WeakPolarHBondContact O-CB 3.37Å; F934-A937 PolarHBondContact O-N 3.05Å; A937-C941 HydrophobicContact CB-CB 4.5Å; A937-L942 HydrophobicContact CB-CD2 3.73Å; A937-L942 HydrophobicContact CB-CG 3.85Å; A937-F1053 HydrophobicContact CB-CD2 3.87Å; A937-F1053 HydrophobicContact CB-CE2 3.89Å; A937-F1053 HydrophobicContact CB-CG 4.31Å; A937-F1053 HydrophobicContact CB-CZ 4.34Å
938	N	86.5	Confident	85.7	Confident	92 Å²	92	55.3 Å²	55.3	49%	0.492	28%	0.283	S	S	.	.			trans	-61.7	148.3	173	179.7	30	0	0	0	110.5	D940 C941 L942	N938-D940 PolarHBondContact ND2-OD2 3.25Å; N938-D940 PolarHBondContact O-N 2.95Å; N938-D940 VanDerWaalsContact O-N 3.09Å; N938-C941 WeakPolarHBondContact O-CA 3.44Å; N938-C941 WeakPolarHBondContact O-CB 3.44Å; N938-C941 PolarHBondContact O-N 3.4Å; N938-L942 PolarHBondContact O-N 3.46Å
939	R	86.5	Confident	86	Confident	121 Å²	121	55.6 Å²	55.6	46%	0.457	29%	0.285	S	S	.	.	H	α-helix	trans	-54.2	-34.5	-178.8	-173.6	177.5	179.2	-159.5	-3.4	112.6	D919 L942 K943	D919-R939 IonicContact OD1-CZ 2.67Å; D919-R939 IonicContact OD1-NH2 3.88Å; D919-R939 PolarHBondContact OD1-NH2 2.65Å; D919-R939 IonicContact OD2-NH2 2.77Å; D919-R939 PolarHBondContact OD2-NH2 3.02Å; R939-L942 PolarHBondContact O-N 3.46Å; R939-K943 PolarHBondContact O-N 2.82Å
940	D	85	Confident	86.2	Confident	99 Å²	99	58.8 Å²	58.8	53%	0.529	30%	0.297	S	S	.	.	H	α-helix	trans	-66.1	-44.4	177.5	-48.7	-41.6	0	0	0	111.1	N938 K943 S944	N938-D940 PolarHBondContact ND2-OD2 3.25Å; N938-D940 PolarHBondContact O-N 2.95Å; N938-D940 VanDerWaalsContact O-N 3.09Å; D940-K943 PolarHBondContact O-N 3.33Å; D940-S944 PolarHBondContact O-N 2.9Å; D940-S944 PolarHBondContact O-OG 2.87Å; D940-S944 VanDerWaalsContact O-OG 3.13Å
941	C	89.7	Confident	86.4	Confident	1 Å²	1	61 Å²	61	1%	0.007	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-42	173.8	-177.6	0	0	0	0	111.5	A937 N938 K943 S944 L945 H1050	A937-C941 HydrophobicContact CB-CB 4.5Å; N938-C941 WeakPolarHBondContact O-CA 3.44Å; N938-C941 WeakPolarHBondContact O-CB 3.44Å; N938-C941 PolarHBondContact O-N 3.4Å; C941-K943 PolarHBondContact O-N 3.18Å; C941-S944 PolarHBondContact O-N 3.39Å; C941-L945 WeakPolarHBondContact O-CB 3.36Å; C941-L945 VanDerWaalsContact O-CG 3.29Å; C941-L945 WeakPolarHBondContact O-CG 3.39Å; C941-L945 PolarHBondContact O-N 3.17Å; C941-H1050 WeakPolarHBondContact CA-NE2 3.21Å; C941-H1050 WeakPolarHBondContact CB-CD2 3.4Å; C941-H1050 PolarHBondContact SG-CD2 3.4Å
942	L	91.1	Very high	86.6	Confident	30 Å²	30	61.9 Å²	61.9	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-42.7	174.8	-69.1	174.1	0	0	0	112.1	L922 L929 F934 A937 N938 R939 A946	L922-L942 HydrophobicContact CD1-CB 3.98Å; L929-L942 HydrophobicContact CD2-CD2 4.23Å; F934-L942 HydrophobicContact CB-CD2 3.83Å; F934-L942 HydrophobicContact CD1-CD2 4.26Å; F934-L942 HydrophobicContact CG-CD2 4.43Å; A937-L942 HydrophobicContact CB-CD2 3.73Å; A937-L942 HydrophobicContact CB-CG 3.85Å; N938-L942 PolarHBondContact O-N 3.46Å; R939-L942 PolarHBondContact O-N 3.46Å; L942-A946 WeakPolarHBondContact O-CB 3.47Å; L942-A946 PolarHBondContact O-N 3.06Å
943	K	88.4	Confident	86.9	Confident	35 Å²	35	55.3 Å²	55.3	15%	0.152	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-46.2	174.5	-77.4	-162	173.3	-162.5	0	111.9	E915 D919 R939 D940 C941 L945 A946 I947	E915-K943 PolarHBondContact O-NZ 3.14Å; D919-K943 WeakPolarHBondContact OD1-CE 3.49Å; D919-K943 IonicContact OD1-NZ 2.75Å; D919-K943 PolarHBondContact OD1-NZ 2.96Å; D919-K943 IonicContact OD2-NZ 3.21Å; D919-K943 PolarHBondContact OD2-NZ 3.32Å; R939-K943 PolarHBondContact O-N 2.82Å; D940-K943 PolarHBondContact O-N 3.33Å; C941-K943 PolarHBondContact O-N 3.18Å; K943-L945 VanDerWaalsContact C-N 3.32Å; K943-L945 PolarHBondContact O-N 3.2Å; K943-A946 PolarHBondContact O-N 3.22Å; K943-I947 WeakPolarHBondContact O-CD1 3.12Å; K943-I947 WeakPolarHBondContact O-CG1 3.28Å; K943-I947 PolarHBondContact O-N 2.93Å
944	S	88.9	Confident	87.3	Confident	38 Å²	38	55.1 Å²	55.1	27%	0.266	27%	0.271	S	S	.	.	H	α-helix	trans	-59.7	-40.2	177.9	-63	0	0	0	0	112.7	D940 C941 N948 I1046	D940-S944 PolarHBondContact O-N 2.9Å; D940-S944 PolarHBondContact O-OG 2.87Å; D940-S944 VanDerWaalsContact O-OG 3.13Å; C941-S944 PolarHBondContact O-N 3.39Å; S944-N948 PolarHBondContact O-ND2 3.23Å; S944-I1046 WeakPolarHBondContact O-CD1 3.17Å
945	L	91.1	Very high	87.4	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-47.2	173.3	-69.9	165.9	0	0	0	111.4	F934 C941 K943 I947 N948 F949 I1038 L1043 I1046 F1053	F934-L945 HydrophobicContact CD1-CD1 4.24Å; F934-L945 HydrophobicContact CE1-CD1 4.01Å; C941-L945 WeakPolarHBondContact O-CB 3.36Å; C941-L945 VanDerWaalsContact O-CG 3.29Å; C941-L945 WeakPolarHBondContact O-CG 3.39Å; C941-L945 PolarHBondContact O-N 3.17Å; K943-L945 VanDerWaalsContact C-N 3.32Å; K943-L945 PolarHBondContact O-N 3.2Å; L945-I947 VanDerWaalsContact C-N 3.31Å; L945-I947 PolarHBondContact O-N 3.12Å; L945-N948 PolarHBondContact O-N 3.22Å; L945-F949 HydrophobicContact CB-CD2 4.29Å; L945-F949 HydrophobicContact CB-CE2 4.1Å; L945-F949 VanDerWaalsContact O-CD2 3.26Å; L945-F949 WeakPolarHBondContact O-CD2 3.2Å; L945-F949 PolarHBondContact O-N 3.45Å; L945-I1038 HydrophobicContact CD2-CD1 4.15Å; L945-L1043 HydrophobicContact CD2-CD1 3.91Å; L945-I1046 HydrophobicContact CD2-CB 4.48Å; L945-I1046 HydrophobicContact CD2-CD1 4.21Å; L945-I1046 HydrophobicContact CD2-CG2 3.89Å; L945-I1046 HydrophobicContact CG-CG2 4.03Å; L945-F1053 HydrophobicContact CD1-CD1 4.4Å; L945-F1053 HydrophobicContact CD1-CE1 3.72Å; L945-F1053 HydrophobicContact CD1-CZ 4.39Å
946	A	91.1	Very high	87.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-37.9	-176.4	0	0	0	0	0	113.3	Y921 N925 L929 L942 K943 N948	Y921-A946 WeakPolarHBondContact CB-O 3.32Å; Y921-A946 VanDerWaalsContact CD1-O 3.28Å; Y921-A946 WeakPolarHBondContact CD1-O 3.33Å; N925-A946 PolarHBondContact ND2-O 3.32Å; L929-A946 HydrophobicContact CD1-CB 3.68Å; L942-A946 WeakPolarHBondContact O-CB 3.47Å; L942-A946 PolarHBondContact O-N 3.06Å; K943-A946 PolarHBondContact O-N 3.22Å; A946-N948 VanDerWaalsContact C-N 3.28Å; A946-N948 PolarHBondContact O-N 3.33Å
947	I	88.1	Confident	88	Confident	68 Å²	68	45.7 Å²	45.7	35%	0.349	25%	0.246	S	C	.	.	H	α-helix	trans	-67.7	-29.4	177.8	-67.9	163	0	0	0	111.6	Y921 K943 L945	Y921-I947 HydrophobicContact CD2-CB 4.27Å; Y921-I947 HydrophobicContact CD2-CG1 3.75Å; Y921-I947 HydrophobicContact CE2-CG1 4.34Å; Y921-I947 HydrophobicContact CE2-CG2 4.35Å; Y921-I947 HydrophobicContact CG-CG1 4.23Å; K943-I947 WeakPolarHBondContact O-CD1 3.12Å; K943-I947 WeakPolarHBondContact O-CG1 3.28Å; K943-I947 PolarHBondContact O-N 2.93Å; L945-I947 VanDerWaalsContact C-N 3.31Å; L945-I947 PolarHBondContact O-N 3.12Å
948	N	89.6	Confident	88.1	Confident	49 Å²	49	46 Å²	46	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-96.7	-13.9	-176.7	-71.1	-70.7	0	0	0	114.1	S944 L945 A946 K950 I1038 T1042 I1046	S944-N948 PolarHBondContact O-ND2 3.23Å; L945-N948 PolarHBondContact O-N 3.22Å; A946-N948 VanDerWaalsContact C-N 3.28Å; A946-N948 PolarHBondContact O-N 3.33Å; N948-K950 PolarHBondContact O-N 2.98Å; N948-I1038 HydrophobicContact CB-CD1 4.07Å; N948-I1038 HydrophobicContact CB-CG1 4.39Å; N948-T1042 HydrophobicContact CB-CG2 4.16Å; N948-T1042 WeakPolarHBondContact OD1-CG2 3.3Å; N948-I1046 HydrophobicContact CB-CD1 4.22Å
949	F	90.3	Very high	88.2	Confident	7 Å²	7	45.3 Å²	45.3	3%	0.031	24%	0.237	C	C	.	.			trans	-71.1	118.5	167.3	-85.9	-64	0	0	0	111.1	N925 V928 L929 F934 L945 W995 H1036 Y1037 I1038	N925-F949 HydrophobicContact CB-CB 4.37Å; N925-F949 WeakPolarHBondContact ND2-CB 3.46Å; N925-F949 PolarHBondContact ND2-O 2.74Å; V928-F949 HydrophobicContact CG1-CE1 4.17Å; V928-F949 HydrophobicContact CG1-CE2 4.44Å; V928-F949 HydrophobicContact CG1-CZ 3.98Å; L929-F949 HydrophobicContact CD2-CD2 4.33Å; L929-F949 HydrophobicContact CD2-CE2 3.95Å; F934-F949 HydrophobicContact CZ-CZ 4.43Å; L945-F949 HydrophobicContact CB-CD2 4.29Å; L945-F949 HydrophobicContact CB-CE2 4.1Å; L945-F949 VanDerWaalsContact O-CD2 3.26Å; L945-F949 WeakPolarHBondContact O-CD2 3.2Å; L945-F949 PolarHBondContact O-N 3.45Å; F949-W995 HydrophobicContact CE1-CH2 4.22Å; F949-W995 HydrophobicContact CZ-CH2 4.11Å; F949-H1036 HydrophobicContact CD1-CB 4.5Å; F949-Y1037 WeakPolarHBondContact CA-O 3.32Å; F949-I1038 HydrophobicContact CD1-CB 3.9Å; F949-I1038 HydrophobicContact CD1-CG2 4.42Å; F949-I1038 HydrophobicContact CE1-CB 3.89Å; F949-I1038 HydrophobicContact CE1-CG2 3.89Å; F949-I1038 HydrophobicContact CZ-CG2 4.42Å
950	K	89.2	Confident	88.4	Confident	87 Å²	87	41.4 Å²	41.4	38%	0.378	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.2	179.2	-64.9	163	-169.6	166.4	0	109.6	N948 H1036 Y1037 D1039	N948-K950 PolarHBondContact O-N 2.98Å; K950-H1036 CarbonylContact O-C 3.51Å; K950-H1036 WeakPolarHBondContact O-CA 3.15Å; K950-Y1037 HydrophobicContact CB-CD1 4.03Å; K950-Y1037 HydrophobicContact CB-CD2 4.46Å; K950-Y1037 HydrophobicContact CB-CE1 3.58Å; K950-Y1037 HydrophobicContact CB-CE2 4.06Å; K950-Y1037 HydrophobicContact CB-CG 4.46Å; K950-Y1037 HydrophobicContact CD-CE1 4.39Å; K950-Y1037 HydrophobicContact CD-CE2 3.65Å; K950-Y1037 WeakPolarHBondContact CD-OH 3.14Å; K950-Y1037 HydrophobicContact CG-CE2 4.44Å; K950-Y1037 PolarHBondContact N-O 3.06Å; K950-Y1037 PolarHBondContact O-N 2.9Å; K950-D1039 IonicContact NZ-OD2 2.65Å; K950-D1039 PolarHBondContact NZ-OD2 3.05Å
951	L	86.7	Confident	88.6	Confident	109 Å²	109	37 Å²	37	57%	0.571	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	147.5	174.3	-173.2	67.6	0	0	0	110.1	L1035	L951-L1035 CarbonylContact C-O 3.54Å; L951-L1035 WeakPolarHBondContact CA-O 3.47Å
952	T	86.8	Confident	88.6	Confident	48 Å²	48	41 Å²	41	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	148.9	173.6	-72.1	0	0	0	0	109.3	L1035 Y1037	T952-L1035 PolarHBondContact N-O 2.73Å; T952-L1035 PolarHBondContact O-N 2.8Å; T952-Y1037 VanDerWaalsContact OG1-CE1 3.3Å; T952-Y1037 WeakPolarHBondContact OG1-CE1 3.42Å
953	F	86.7	Confident	88.4	Confident	37 Å²	37	43.1 Å²	43.1	16%	0.162	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.4	-177.3	174.8	-105	0	0	0	109.2	I899 T955 Y1032 C1033	I899-F953 HydrophobicContact CD1-CD1 4.09Å; I899-F953 HydrophobicContact CD1-CD2 3.99Å; I899-F953 HydrophobicContact CD1-CE1 3.52Å; I899-F953 HydrophobicContact CD1-CE2 3.41Å; I899-F953 VanDerWaalsContact CD1-CE2 3.41Å; I899-F953 HydrophobicContact CD1-CG 4.28Å; I899-F953 HydrophobicContact CD1-CZ 3.13Å; F953-T955 HydrophobicContact CD1-CG2 4.47Å; F953-T955 HydrophobicContact CE1-CG2 3.73Å; F953-T955 HydrophobicContact CZ-CG2 4.43Å; F953-Y1032 HydrophobicContact CE1-CD1 4.23Å; F953-Y1032 HydrophobicContact CE2-CD1 4.04Å; F953-Y1032 HydrophobicContact CE2-CG 4.47Å; F953-Y1032 AromaticContact CZ-CD1 3.38Å; F953-Y1032 HydrophobicContact CZ-CD1 3.38Å; F953-Y1032 HydrophobicContact CZ-CE1 4.11Å; F953-Y1032 HydrophobicContact CZ-CG 4.19Å; F953-C1033 WeakPolarHBondContact CA-O 3.44Å
954	C	87.2	Confident	88.1	Confident	9 Å²	9	43.3 Å²	43.3	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.3	175.1	-57.6	0	0	0	0	109.8	Y1032 C1033	C954-Y1032 WeakPolarHBondContact O-CA 3.15Å; C954-C1033 HydrophobicContact CB-CB 4.35Å; C954-C1033 PolarHBondContact N-O 3.32Å; C954-C1033 PolarHBondContact O-N 2.86Å
955	T	87	Confident	88	Confident	17 Å²	17	44.7 Å²	44.7	10%	0.104	25%	0.25	C	S	.	.			trans	-80.7	161.7	171.2	67.6	0	0	0	0	110.4	F892 T895 F953 E958 S1029 Y1032	F892-T955 HydrophobicContact CD2-CG2 4.4Å; T895-T955 HydrophobicContact CG2-CG2 4.49Å; T895-T955 WeakPolarHBondContact OG1-CG2 3.25Å; F953-T955 HydrophobicContact CD1-CG2 4.47Å; F953-T955 HydrophobicContact CE1-CG2 3.73Å; F953-T955 HydrophobicContact CZ-CG2 4.43Å; T955-E958 WeakPolarHBondContact CB-OE2 3.42Å; T955-E958 PolarHBondContact N-OE2 3.09Å; T955-E958 WeakPolarHBondContact O-CG 3.18Å; T955-E958 PolarHBondContact O-N 3.27Å; T955-E958 WeakPolarHBondContact OG1-CG 3.39Å; T955-E958 PolarHBondContact OG1-OE2 2.99Å; T955-S1029 WeakPolarHBondContact O-CB 3.32Å; T955-S1029 PolarHBondContact O-OG 2.89Å; T955-Y1032 HydrophobicContact CG2-CD1 4.34Å; T955-Y1032 HydrophobicContact CG2-CE1 4.03Å
956	P	87.5	Confident	87.6	Confident	60 Å²	60	48.3 Å²	48.3	39%	0.39	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	138.2	-177.9	-25.2	34.1	0	0	0	113.5	E958 Y1032	P956-E958 VanDerWaalsContact C-N 3.34Å; P956-Y1032 VanDerWaalsContact CD-CE1 3.42Å; P956-Y1032 HydrophobicContact CG-CD1 4.29Å; P956-Y1032 HydrophobicContact CG-CD2 4.16Å; P956-Y1032 HydrophobicContact CG-CE1 4.26Å; P956-Y1032 HydrophobicContact CG-CE2 4.09Å; P956-Y1032 HydrophobicContact CG-CG 4.26Å
957	G	85.2	Confident	87.2	Confident	39 Å²	39	48.9 Å²	48.9	40%	0.402	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	3.3	177.2	0	0	0	0	0	115.1	S1029	G957-S1029 WeakPolarHBondContact CA-O 3.49Å; G957-S1029 PolarHBondContact N-O 3.29Å; G957-S1029 PolarHBondContact N-OG 2.86Å
958	E	87.1	Confident	86.9	Confident	18 Å²	18	54 Å²	54	8%	0.084	29%	0.287	C	S	.	.			trans	-86.1	132.5	179.9	-64.6	-160.6	94.3	0	0	112.4	R888 T955 P956 K1028 S1029	R888-E958 IonicContact CZ-OE1 2.64Å; R888-E958 IonicContact NE-OE1 3.74Å; R888-E958 PolarHBondContact NE-OE1 2.88Å; R888-E958 IonicContact NH2-OE1 3.05Å; R888-E958 PolarHBondContact NH2-OE1 3.26Å; T955-E958 WeakPolarHBondContact CB-OE2 3.42Å; T955-E958 PolarHBondContact N-OE2 3.09Å; T955-E958 WeakPolarHBondContact O-CG 3.18Å; T955-E958 PolarHBondContact O-N 3.27Å; T955-E958 WeakPolarHBondContact OG1-CG 3.39Å; T955-E958 PolarHBondContact OG1-OE2 2.99Å; P956-E958 VanDerWaalsContact C-N 3.34Å; E958-K1028 CarbonylContact O-C 3.48Å; E958-K1028 VanDerWaalsContact O-CA 3.31Å; E958-K1028 WeakPolarHBondContact O-CA 3.35Å; E958-S1029 PolarHBondContact N-OG 3.47Å; E958-S1029 PolarHBondContact O-N 2.76Å; E958-S1029 PolarHBondContact O-OG 2.9Å; E958-S1029 VanDerWaalsContact O-OG 3.12Å
959	Y	89.4	Confident	86.8	Confident	79 Å²	79	55.9 Å²	55.9	31%	0.31	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.6	166.7	-61.8	-86.2	0	0	0	110.1	H962 L981 D1026 V1027 K1028	Y959-H962 WeakPolarHBondContact CB-CE1 3.4Å; Y959-H962 WeakPolarHBondContact CB-NE2 3.33Å; Y959-H962 AromaticContact CD1-CE1 3.77Å; Y959-H962 AromaticContact CD2-CE1 3.73Å; Y959-H962 AromaticContact CG-CE1 3.33Å; Y959-H962 AromaticContact CG-NE2 3.91Å; Y959-L981 HydrophobicContact CE1-CD1 4.03Å; Y959-D1026 HydrophobicContact CD1-CB 3.98Å; Y959-D1026 HydrophobicContact CE1-CB 4.12Å; Y959-V1027 CarbonylContact C-O 3.49Å; Y959-V1027 WeakPolarHBondContact CA-O 3.26Å; Y959-K1028 HydrophobicContact CD1-CB 3.8Å; Y959-K1028 HydrophobicContact CD1-CD 3.94Å; Y959-K1028 HydrophobicContact CD1-CG 4.42Å; Y959-K1028 HydrophobicContact CD2-CD 4.18Å; Y959-K1028 HydrophobicContact CE1-CB 3.91Å; Y959-K1028 HydrophobicContact CE1-CD 3.47Å; Y959-K1028 VanDerWaalsContact CE1-CD 3.47Å; Y959-K1028 HydrophobicContact CE1-CG 4.32Å; Y959-K1028 HydrophobicContact CE2-CD 3.74Å; Y959-K1028 HydrophobicContact CG-CB 4.43Å; Y959-K1028 HydrophobicContact CG-CD 4.27Å
960	L	89.5	Confident	86.7	Confident	39 Å²	39	55.9 Å²	55.9	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-33.7	175.5	176.2	73.1	0	0	0	111.9	Y971 L978 F996 V1027 L1035	L960-Y971 HydrophobicContact CD1-CE1 4.19Å; L960-Y971 HydrophobicContact CD2-CD1 4.17Å; L960-Y971 HydrophobicContact CD2-CE1 4.12Å; L960-Y971 HydrophobicContact CG-CE1 4.45Å; L960-L978 HydrophobicContact CD2-CD2 4.43Å; L960-F996 HydrophobicContact CD2-CE2 3.79Å; L960-F996 HydrophobicContact CD2-CZ 3.58Å; L960-V1027 PolarHBondContact N-O 3.01Å; L960-L1035 HydrophobicContact CD1-CD1 4.1Å; L960-L1035 HydrophobicContact CD2-CD1 3.49Å; L960-L1035 VanDerWaalsContact CD2-CD1 3.49Å; L960-L1035 HydrophobicContact CG-CD1 4.39Å
961	I	89.8	Confident	86.8	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134	179.7	-58.2	175.2	0	0	0	105.9	D965 L967 Y971 F996 D1026 V1027 I1069	I961-D965 HydrophobicContact CG2-CB 4.22Å; I961-L967 HydrophobicContact CD1-CD2 3.94Å; I961-L967 HydrophobicContact CG2-CD2 3.98Å; I961-Y971 HydrophobicContact CD1-CD2 4.25Å; I961-Y971 HydrophobicContact CD1-CE2 3.94Å; I961-Y971 HydrophobicContact CG1-CE2 4.46Å; I961-F996 HydrophobicContact CD1-CD2 4.47Å; I961-F996 HydrophobicContact CD1-CE2 4.1Å; I961-D1026 CarbonylContact O-C 3.58Å; I961-D1026 VanDerWaalsContact O-CA 3.3Å; I961-D1026 WeakPolarHBondContact O-CA 3.48Å; I961-V1027 HydrophobicContact CB-CB 4.13Å; I961-V1027 HydrophobicContact CB-CG2 4.14Å; I961-V1027 HydrophobicContact CD1-CG2 4.16Å; I961-V1027 HydrophobicContact CG1-CB 4.49Å; I961-V1027 PolarHBondContact O-N 3.4Å; I961-I1069 HydrophobicContact CD1-CD1 3.69Å
962	H	89.8	Confident	86.9	Confident	86 Å²	86	47.5 Å²	47.5	40%	0.398	25%	0.249	S	C	.	.			trans	-101.8	159.7	169.6	-79.7	-62.8	0	0	0	112.1	Y959 G964 D965 S1023 D1026	Y959-H962 WeakPolarHBondContact CB-CE1 3.4Å; Y959-H962 WeakPolarHBondContact CB-NE2 3.33Å; Y959-H962 AromaticContact CD1-CE1 3.77Å; Y959-H962 AromaticContact CD2-CE1 3.73Å; Y959-H962 AromaticContact CG-CE1 3.33Å; Y959-H962 AromaticContact CG-NE2 3.91Å; H962-G964 PolarHBondContact O-N 3.45Å; H962-D965 PolarHBondContact N-OD2 3.19Å; H962-D965 WeakPolarHBondContact O-CB 3.5Å; H962-D965 PolarHBondContact O-N 3.04Å; H962-S1023 PolarHBondContact O-OG 2.89Å; H962-D1026 WeakPolarHBondContact CA-OD1 3.41Å; H962-D1026 IonicContact CG-OD1 2.76Å; H962-D1026 IonicContact ND1-OD1 3.08Å; H962-D1026 PolarHBondContact ND1-OD1 3.08Å
963	T	86.7	Confident	87.1	Confident	74 Å²	74	45.2 Å²	45.2	45%	0.454	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	129.1	170.1	44	0	0	0	0	111.8	R1024 D1026	T963-R1024 WeakPolarHBondContact CG2-O 3.38Å; T963-D1026 PolarHBondContact N-OD1 3.28Å
964	G	82.7	Confident	87.1	Confident	39 Å²	39	43.7 Å²	43.7	40%	0.402	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-12	-178.3	0	0	0	0	0	116.4	H962 R1022 S1023	H962-G964 PolarHBondContact O-N 3.45Å; G964-R1022 WeakPolarHBondContact O-CG 3.45Å; G964-S1023 PolarHBondContact N-O 3.27Å; G964-S1023 PolarHBondContact N-OG 3.28Å; G964-S1023 VanDerWaalsContact N-OG 3.07Å
965	D	86	Confident	87	Confident	68 Å²	68	45.2 Å²	45.2	36%	0.364	24%	0.236	S	C	.	.			trans	-56.9	147	175.8	-83.9	-18	0	0	0	113.2	I961 H962 L967 R1022 S1023	I961-D965 HydrophobicContact CG2-CB 4.22Å; H962-D965 PolarHBondContact N-OD2 3.19Å; H962-D965 WeakPolarHBondContact O-CB 3.5Å; H962-D965 PolarHBondContact O-N 3.04Å; D965-L967 PolarHBondContact O-N 2.91Å; D965-R1022 CarbonylContact O-C 3.56Å; D965-R1022 VanDerWaalsContact O-CA 3.27Å; D965-R1022 WeakPolarHBondContact O-CA 3.31Å; D965-S1023 PolarHBondContact N-OG 3.04Å; D965-S1023 PolarHBondContact O-N 2.84Å; D965-S1023 PolarHBondContact O-OG 3.23Å
966	I	83.7	Confident	87	Confident	76 Å²	76	45.7 Å²	45.7	39%	0.39	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-80	110.4	179.1	-55.3	174.9	0	0	0	110.3	R968 I1020 I1021	I966-R968 HydrophobicContact CG2-CG 3.94Å; I966-R968 PolarHBondContact O-N 3.38Å; I966-I1020 HydrophobicContact CD1-CG2 3.99Å; I966-I1020 HydrophobicContact CG1-CG2 3.99Å; I966-I1020 HydrophobicContact CG2-CG2 3.86Å; I966-I1021 CarbonylContact C-O 3.14Å; I966-I1021 WeakPolarHBondContact CA-O 3.31Å
967	L	81.6	Confident	87.1	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.063	24%	0.235	C	C	.	.			trans	-74.8	90.6	-179.1	-66.2	179.8	0	0	0	111.4	I961 D965 A998 I1021 I1069	I961-L967 HydrophobicContact CD1-CD2 3.94Å; I961-L967 HydrophobicContact CG2-CD2 3.98Å; D965-L967 PolarHBondContact O-N 2.91Å; L967-A998 HydrophobicContact CB-CB 4.36Å; L967-A998 HydrophobicContact CD1-CB 3.88Å; L967-I1021 HydrophobicContact CB-CB 4.4Å; L967-I1021 HydrophobicContact CB-CG2 4.16Å; L967-I1021 HydrophobicContact CD1-CG2 4.1Å; L967-I1021 PolarHBondContact N-O 3.4Å; L967-I1069 HydrophobicContact CD1-CB 3.77Å; L967-I1069 HydrophobicContact CD1-CD1 4.19Å; L967-I1069 HydrophobicContact CD1-CG2 4.08Å; L967-I1069 HydrophobicContact CD2-CD1 4.11Å
968	R	81.5	Confident	87.3	Confident	177 Å²	177	42.3 Å²	42.3	67%	0.668	22%	0.215	S	C	*	.			trans	-96.6	-1.2	175.4	-60.8	-170.7	178.8	-172.9	0	114.5	I966 L1040	I966-R968 HydrophobicContact CG2-CG 3.94Å; I966-R968 PolarHBondContact O-N 3.38Å; R968-L1040 PolarHBondContact O-N 3.08Å
969	R	87.9	Confident	87.4	Confident	88 Å²	88	41.9 Å²	41.9	33%	0.332	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.5	-168.7	-72.4	169.8	-179.6	166.6	1.5	111.9	Y971 Y1037 I1038 D1039	R969-Y971 HydrophobicContact CB-CD2 4.2Å; R969-Y971 HydrophobicContact CB-CE2 3.63Å; R969-Y971 WeakPolarHBondContact CD-OH 3.2Å; R969-Y1037 HydrophobicContact CB-CD2 4.37Å; R969-Y1037 VanDerWaalsContact CD-CD2 3.44Å; R969-Y1037 HydrophobicContact CG-CD2 3.75Å; R969-Y1037 HydrophobicContact CG-CE2 4.15Å; R969-I1038 WeakPolarHBondContact CA-O 3.22Å; R969-D1039 VanDerWaalsContact CG-OD1 3.26Å; R969-D1039 WeakPolarHBondContact CG-OD1 3.49Å; R969-D1039 IonicContact CZ-OD1 3.33Å; R969-D1039 IonicContact NE-OD1 2.65Å; R969-D1039 PolarHBondContact NE-OD1 3.28Å; R969-D1039 IonicContact NH2-OD1 3.04Å
970	L	88.1	Confident	87.4	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.1	164.6	-177.8	66.1	0	0	0	108.2	W995 Y1037 I1038 L1040 L1043 L1061 L1065	L970-W995 HydrophobicContact CD1-CE3 4.31Å; L970-W995 HydrophobicContact CD2-CE3 3.84Å; L970-W995 HydrophobicContact CD2-CZ3 3.74Å; L970-W995 HydrophobicContact CG-CE3 3.81Å; L970-W995 HydrophobicContact CG-CZ3 3.94Å; L970-Y1037 VanDerWaalsContact O-CA 3.29Å; L970-Y1037 WeakPolarHBondContact O-CA 3.31Å; L970-I1038 HydrophobicContact CB-CG2 4.28Å; L970-I1038 PolarHBondContact N-O 3.37Å; L970-I1038 PolarHBondContact O-N 2.95Å; L970-L1040 HydrophobicContact CB-CD2 3.97Å; L970-L1043 HydrophobicContact CD2-CD2 4.15Å; L970-L1061 HydrophobicContact CD2-CD1 4.18Å; L970-L1061 HydrophobicContact CD2-CD2 4.46Å; L970-L1065 HydrophobicContact CD1-CD1 4.46Å
971	Y	91	Very high	87.3	Confident	21 Å²	21	36.8 Å²	36.8	8%	0.082	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.9	-176.3	-67	-90.4	0	0	0	111.9	L960 I961 R969 F996 H1036 Y1037	L960-Y971 HydrophobicContact CD1-CE1 4.19Å; L960-Y971 HydrophobicContact CD2-CD1 4.17Å; L960-Y971 HydrophobicContact CD2-CE1 4.12Å; L960-Y971 HydrophobicContact CG-CE1 4.45Å; I961-Y971 HydrophobicContact CD1-CD2 4.25Å; I961-Y971 HydrophobicContact CD1-CE2 3.94Å; I961-Y971 HydrophobicContact CG1-CE2 4.46Å; R969-Y971 HydrophobicContact CB-CD2 4.2Å; R969-Y971 HydrophobicContact CB-CE2 3.63Å; R969-Y971 WeakPolarHBondContact CD-OH 3.2Å; Y971-F996 HydrophobicContact CD1-CZ 4.38Å; Y971-F996 HydrophobicContact CD2-CE2 4.03Å; Y971-F996 HydrophobicContact CD2-CZ 4.31Å; Y971-F996 HydrophobicContact CG-CE1 4.32Å; Y971-F996 HydrophobicContact CG-CE2 4Å; Y971-F996 AromaticContact CG-CZ 3.81Å; Y971-F996 HydrophobicContact CG-CZ 3.81Å; Y971-F996 PolarHBondContact N-O 3.37Å; Y971-F996 PolarHBondContact O-N 3.48Å; Y971-H1036 WeakPolarHBondContact CA-O 3.31Å; Y971-Y1037 HydrophobicContact CD1-CG 4.45Å; Y971-Y1037 HydrophobicContact CE1-CD1 4.35Å; Y971-Y1037 HydrophobicContact CE1-CG 4.15Å
972	F	90.1	Very high	87.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.8	176.3	172.9	-101.7	0	0	0	110.2	V928 L931 S974 N993 W995 L1035 H1036	V928-F972 HydrophobicContact CB-CD1 4.22Å; V928-F972 HydrophobicContact CB-CE1 4.25Å; V928-F972 HydrophobicContact CG1-CD1 3.98Å; V928-F972 HydrophobicContact CG1-CE1 4.31Å; V928-F972 HydrophobicContact CG1-CG 4.15Å; V928-F972 HydrophobicContact CG2-CD1 3.66Å; V928-F972 HydrophobicContact CG2-CE1 3.87Å; L931-F972 HydrophobicContact CD1-CD2 4.42Å; L931-F972 HydrophobicContact CD1-CE2 3.68Å; L931-F972 HydrophobicContact CD1-CZ 4.03Å; F972-S974 PolarHBondContact O-N 3.32Å; F972-N993 VanDerWaalsContact CE2-CA 3.49Å; F972-N993 HydrophobicContact CE2-CB 4.12Å; F972-N993 WeakPolarHBondContact CE2-O 3.41Å; F972-N993 HydrophobicContact CZ-CB 4.17Å; F972-W995 HydrophobicContact CB-CD2 4.11Å; F972-W995 HydrophobicContact CB-CE3 3.92Å; F972-W995 HydrophobicContact CB-CH2 4.07Å; F972-W995 HydrophobicContact CB-CZ2 4.24Å; F972-W995 HydrophobicContact CB-CZ3 3.91Å; F972-W995 AromaticContact CD2-CD1 3.8Å; F972-W995 AromaticContact CD2-CD2 3.78Å; F972-W995 HydrophobicContact CD2-CD2 3.78Å; F972-W995 AromaticContact CD2-CE2 3.41Å; F972-W995 VanDerWaalsContact CD2-CE2 3.41Å; F972-W995 HydrophobicContact CD2-CE3 4.45Å; F972-W995 HydrophobicContact CD2-CG 4.02Å; F972-W995 HydrophobicContact CD2-CH2 4.49Å; F972-W995 AromaticContact CD2-CZ2 3.82Å; F972-W995 HydrophobicContact CD2-CZ2 3.82Å; F972-W995 AromaticContact CD2-NE1 3.42Å; F972-W995 HydrophobicContact CE2-CZ2 4.45Å; F972-W995 AromaticContact CE2-NE1 3.69Å; F972-W995 HydrophobicContact CG-CD2 4.39Å; F972-W995 HydrophobicContact CG-CH2 4.45Å; F972-W995 HydrophobicContact CG-CZ2 4.17Å; F972-L1035 WeakPolarHBondContact O-CA 3.31Å; F972-H1036 HydrophobicContact CD1-CB 4.43Å; F972-H1036 PolarHBondContact N-O 3.45Å; F972-H1036 PolarHBondContact O-N 3.12Å
973	V	90	Very high	86.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	103.1	-179.8	-174.5	0	0	0	0	109.4	L978 L990 G991 N993 D994 F996 L1035	V973-L978 HydrophobicContact CB-CD1 4.44Å; V973-L978 HydrophobicContact CG1-CD1 3.93Å; V973-L978 HydrophobicContact CG2-CD1 3.58Å; V973-L990 HydrophobicContact CG2-CB 4.32Å; V973-G991 VanDerWaalsContact CB-O 3.3Å; V973-G991 WeakPolarHBondContact CB-O 3.44Å; V973-G991 WeakPolarHBondContact CG1-O 3.3Å; V973-N993 WeakPolarHBondContact O-CA 3.33Å; V973-N993 PolarHBondContact O-N 3.39Å; V973-D994 PolarHBondContact N-O 3.01Å; V973-F996 HydrophobicContact CG2-CD1 3.98Å; V973-F996 HydrophobicContact CG2-CE1 3.62Å; V973-L1035 HydrophobicContact CB-CD2 4.25Å; V973-L1035 HydrophobicContact CG1-CD2 4.27Å; V973-L1035 HydrophobicContact CG2-CD2 3.95Å
974	S	86.4	Confident	86.4	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.028	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-40.6	175.6	65.1	0	0	0	0	111.8	F972 K992 D1034 H1036	F972-S974 PolarHBondContact O-N 3.32Å; S974-K992 VanDerWaalsContact O-CD 3.29Å; S974-K992 WeakPolarHBondContact O-CD 3.48Å; S974-K992 WeakPolarHBondContact O-CE 3.34Å; S974-K992 WeakPolarHBondContact O-CG 3.19Å; S974-K992 PolarHBondContact O-NZ 2.92Å; S974-D1034 PolarHBondContact N-O 3.1Å; S974-D1034 VanDerWaalsContact OG-CB 3.29Å; S974-D1034 WeakPolarHBondContact OG-CB 3.41Å; S974-D1034 PolarHBondContact OG-O 3.46Å; S974-H1036 PolarHBondContact OG-CD2 2.93Å; S974-H1036 PolarHBondContact OG-NE2 3.34Å
975	N	86.9	Confident	86.3	Confident	42 Å²	42	43.1 Å²	43.1	23%	0.225	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.7	168.6	-59.6	-58.1	0	0	0	110.8	K992 C1033 D1034	N975-K992 PolarHBondContact OD1-NZ 2.98Å; N975-C1033 WeakPolarHBondContact O-CA 3.43Å; N975-D1034 HydrophobicContact CB-CB 4.08Å; N975-D1034 WeakPolarHBondContact CB-OD2 3.37Å; N975-D1034 PolarHBondContact N-O 2.94Å; N975-D1034 PolarHBondContact ND2-OD2 3.34Å; N975-D1034 PolarHBondContact O-N 2.95Å
976	G	86.2	Confident	86.2	Confident	26 Å²	26	41.2 Å²	41.2	27%	0.268	21%	0.209	S	C	.	.	S	Bend	trans	94.3	-164.7	179.8	0	0	0	0	0	113.4	T1031	G976-T1031 WeakPolarHBondContact CA-OG1 3.49Å
977	S	88.6	Confident	86.1	Confident	28 Å²	28	40.8 Å²	40.8	20%	0.196	21%	0.21	C	C	.	.			trans	-150.5	139.5	-176.3	51.1	0	0	0	0	111.1	L990 L1030 T1031 C1033	S977-L990 CarbonylContact C-O 3.6Å; S977-L990 VanDerWaalsContact CA-O 3.28Å; S977-L990 WeakPolarHBondContact CA-O 3.29Å; S977-L1030 PolarHBondContact O-N 3.46Å; S977-T1031 PolarHBondContact N-OG1 3.37Å; S977-T1031 PolarHBondContact O-N 3.15Å; S977-T1031 WeakPolarHBondContact OG-CG2 3.27Å; S977-T1031 PolarHBondContact OG-OG1 2.9Å; S977-C1033 PolarHBondContact N-SG 3.17Å; S977-C1033 VanDerWaalsContact N-SG 3.42Å; S977-C1033 PolarHBondContact O-SG 3.14Å
978	L	89.6	Confident	86.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.1	179.1	-54.5	91.7	0	0	0	110.5	L960 V973 L989 L990 F996 V1027 K1028 C1033 L1035	L960-L978 HydrophobicContact CD2-CD2 4.43Å; V973-L978 HydrophobicContact CB-CD1 4.44Å; V973-L978 HydrophobicContact CG1-CD1 3.93Å; V973-L978 HydrophobicContact CG2-CD1 3.58Å; L978-L989 CarbonylContact O-C 3.5Å; L978-L989 WeakPolarHBondContact O-CA 3.47Å; L978-L990 HydrophobicContact CB-CB 4.32Å; L978-L990 HydrophobicContact CD1-CB 4.45Å; L978-L990 PolarHBondContact N-O 3.04Å; L978-L990 PolarHBondContact O-N 3.49Å; L978-F996 HydrophobicContact CD2-CZ 4.38Å; L978-V1027 HydrophobicContact CB-CG1 4.3Å; L978-V1027 HydrophobicContact CD2-CG1 3.88Å; L978-K1028 CarbonylContact C-O 3.56Å; L978-K1028 WeakPolarHBondContact CA-O 3.33Å; L978-K1028 WeakPolarHBondContact CB-O 3.29Å; L978-C1033 HydrophobicContact CD1-CB 4.45Å; L978-L1035 HydrophobicContact CD1-CD2 4.06Å; L978-L1035 HydrophobicContact CD2-CD1 4.36Å
979	E	90.8	Very high	86.4	Confident	9 Å²	9	35.5 Å²	35.5	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.9	166.8	60.3	-172.5	176	0	0	110.1	L981 V986 L989 K1028 L1030	E979-L981 HydrophobicContact CG-CD1 4.23Å; E979-L981 HydrophobicContact CG-CD2 4.38Å; E979-L981 HydrophobicContact CG-CG 4.2Å; E979-V986 HydrophobicContact CB-CG1 4.28Å; E979-V986 HydrophobicContact CB-CG2 4.33Å; E979-L989 HydrophobicContact CB-CD2 3.93Å; E979-K1028 HydrophobicContact CG-CB 4.08Å; E979-K1028 HydrophobicContact CG-CG 4.31Å; E979-K1028 PolarHBondContact N-O 3.01Å; E979-K1028 PolarHBondContact O-N 3.25Å; E979-K1028 IonicContact OE1-NZ 3.79Å; E979-K1028 PolarHBondContact OE1-NZ 3.42Å; E979-L1030 HydrophobicContact CB-CD1 4.23Å; E979-L1030 HydrophobicContact CB-CD2 4.4Å; E979-L1030 HydrophobicContact CB-CG 4.23Å; E979-L1030 HydrophobicContact CG-CD2 4.02Å; E979-L1030 HydrophobicContact CG-CG 4.17Å
980	V	89.1	Confident	86.3	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.8	172.1	-176.2	0	0	0	0	107.7	V986 V987 A988 L990 C1025 D1026 V1027 F1067	V980-V986 CarbonylContact O-C 3.52Å; V980-V986 WeakPolarHBondContact O-CA 3.35Å; V980-V987 PolarHBondContact O-N 2.86Å; V980-A988 HydrophobicContact CB-CB 4.15Å; V980-A988 HydrophobicContact CG2-CB 4.2Å; V980-A988 PolarHBondContact N-O 2.89Å; V980-L990 HydrophobicContact CG2-CD1 3.62Å; V980-L990 HydrophobicContact CG2-CG 4Å; V980-C1025 HydrophobicContact CG1-CB 3.49Å; V980-C1025 VanDerWaalsContact CG1-CB 3.49Å; V980-D1026 WeakPolarHBondContact CA-O 3.44Å; V980-V1027 HydrophobicContact CG1-CG2 4.36Å; V980-V1027 HydrophobicContact CG2-CG2 4.3Å; V980-F1067 HydrophobicContact CG1-CD1 4.02Å; V980-F1067 HydrophobicContact CG1-CE1 3.65Å; V980-F1067 HydrophobicContact CG1-CZ 4.08Å; V980-F1067 HydrophobicContact CG2-CD1 4.43Å
981	L	87.3	Confident	86.3	Confident	10 Å²	10	32.3 Å²	32.3	5%	0.052	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.1	-169	-63	162.8	0	0	0	110.8	Y959 E979 E985 V986 C1025 D1026 K1028	Y959-L981 HydrophobicContact CE1-CD1 4.03Å; E979-L981 HydrophobicContact CG-CD1 4.23Å; E979-L981 HydrophobicContact CG-CD2 4.38Å; E979-L981 HydrophobicContact CG-CG 4.2Å; L981-E985 CarbonylContact C-O 3.53Å; L981-E985 VanDerWaalsContact CA-O 3.27Å; L981-E985 WeakPolarHBondContact CA-O 3.22Å; L981-V986 HydrophobicContact CD2-CB 4.49Å; L981-V986 HydrophobicContact CD2-CG2 3.73Å; L981-C1025 CarbonylContact O-C 3.53Å; L981-C1025 VanDerWaalsContact O-CA 3.25Å; L981-C1025 WeakPolarHBondContact O-CA 3.31Å; L981-C1025 VanDerWaalsContact O-CB 3.27Å; L981-C1025 WeakPolarHBondContact O-CB 3.45Å; L981-D1026 HydrophobicContact CB-CB 4.29Å; L981-D1026 PolarHBondContact N-O 3.39Å; L981-D1026 PolarHBondContact O-N 2.65Å; L981-K1028 HydrophobicContact CD1-CB 4.18Å; L981-K1028 HydrophobicContact CD1-CD 4.41Å
982	E	84.9	Confident	85.9	Confident	57 Å²	57	35.5 Å²	35.5	27%	0.266	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116	167.5	-172.9	176.9	-168.6	0	0	107.9	D984 E985 V987 R1024	E982-D984 PolarHBondContact O-N 3.48Å; E982-E985 PolarHBondContact N-O 3.27Å; E982-E985 WeakPolarHBondContact O-CB 3.39Å; E982-E985 PolarHBondContact O-N 3.2Å; E982-V987 HydrophobicContact CB-CG2 3.46Å; E982-V987 VanDerWaalsContact CB-CG2 3.46Å; E982-R1024 IonicContact OE1-CZ 2.69Å; E982-R1024 IonicContact OE1-NE 2.65Å; E982-R1024 PolarHBondContact OE1-NE 3.01Å; E982-R1024 IonicContact OE1-NH2 2.65Å; E982-R1024 PolarHBondContact OE1-NH2 3.21Å; E982-R1024 IonicContact OE2-NE 3.78Å
983	T	83.2	Confident	85.5	Confident	113 Å²	113	39.2 Å²	39.2	69%	0.693	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	51.8	-176.9	54.5	0	0	0	0	113.9	E985	T983-E985 PolarHBondContact O-N 3.29Å
984	D	78.8	Confident	85.3	Confident	138 Å²	138	40 Å²	40	74%	0.738	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	8.6	-173.8	-67.8	-40.1	0	0	0	116	E982	E982-D984 PolarHBondContact O-N 3.48Å
985	E	81.2	Confident	85.3	Confident	29 Å²	29	40.3 Å²	40.3	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.5	179.2	-53.9	-176.1	-150.2	0	0	113	K5 G6 L7 R36 L981 E982 T983 V987	K5-E985 WeakPolarHBondContact CA-OE1 3.35Å; G6-E985 VanDerWaalsContact CA-CD 3.46Å; G6-E985 WeakPolarHBondContact CA-OE1 3.23Å; G6-E985 WeakPolarHBondContact CA-OE2 3.45Å; G6-E985 PolarHBondContact N-OE1 2.9Å; G6-E985 PolarHBondContact N-OE2 3.35Å; L7-E985 PolarHBondContact N-OE2 3.49Å; R36-E985 IonicContact CZ-OE2 2.65Å; R36-E985 IonicContact NH2-OE2 3.32Å; R36-E985 PolarHBondContact NH2-OE2 2.97Å; L981-E985 CarbonylContact C-O 3.53Å; L981-E985 VanDerWaalsContact CA-O 3.27Å; L981-E985 WeakPolarHBondContact CA-O 3.22Å; E982-E985 PolarHBondContact N-O 3.27Å; E982-E985 WeakPolarHBondContact O-CB 3.39Å; E982-E985 PolarHBondContact O-N 3.2Å; T983-E985 PolarHBondContact O-N 3.29Å; E985-V987 PolarHBondContact O-N 2.97Å; E985-V987 VanDerWaalsContact O-N 3.08Å
986	V	83	Confident	85.3	Confident	29 Å²	29	38.3 Å²	38.3	18%	0.176	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	106.9	175	-177.1	0	0	0	0	110.1	E979 V980 L981 L989	E979-V986 HydrophobicContact CB-CG1 4.28Å; E979-V986 HydrophobicContact CB-CG2 4.33Å; V980-V986 CarbonylContact O-C 3.52Å; V980-V986 WeakPolarHBondContact O-CA 3.35Å; L981-V986 HydrophobicContact CD2-CB 4.49Å; L981-V986 HydrophobicContact CD2-CG2 3.73Å; V986-L989 HydrophobicContact CG1-CD2 3.87Å; V986-L989 HydrophobicContact CG1-CG 4.13Å
987	V	81.5	Confident	85.1	Confident	66 Å²	66	37 Å²	37	40%	0.4	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-39.4	175.9	-175.8	0	0	0	0	111	V980 E982 E985 F1067	V980-V987 PolarHBondContact O-N 2.86Å; E982-V987 HydrophobicContact CB-CG2 3.46Å; E982-V987 VanDerWaalsContact CB-CG2 3.46Å; E985-V987 PolarHBondContact O-N 2.97Å; E985-V987 VanDerWaalsContact O-N 3.08Å; V987-F1067 HydrophobicContact CG1-CE2 3.83Å; V987-F1067 HydrophobicContact CG1-CZ 3.96Å
988	A	83	Confident	84.4	Confident	9 Å²	9	35.7 Å²	35.7	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.2	179.4	0	0	0	0	0	112	V980 F1067	V980-A988 HydrophobicContact CB-CB 4.15Å; V980-A988 HydrophobicContact CG2-CB 4.2Å; V980-A988 PolarHBondContact N-O 2.89Å; A988-F1067 HydrophobicContact CB-CD2 3.6Å; A988-F1067 HydrophobicContact CB-CE2 3.94Å; A988-F1067 HydrophobicContact CB-CG 4.24Å
989	L	86.4	Confident	83.3	Confident	69 Å²	69	37.7 Å²	37.7	36%	0.361	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.5	167.1	-66.5	173.8	0	0	0	107.9	L978 E979 V986 L1030	L978-L989 CarbonylContact O-C 3.5Å; L978-L989 WeakPolarHBondContact O-CA 3.47Å; E979-L989 HydrophobicContact CB-CD2 3.93Å; V986-L989 HydrophobicContact CG1-CD2 3.87Å; V986-L989 HydrophobicContact CG1-CG 4.13Å; L989-L1030 HydrophobicContact CD2-CD1 3.8Å
990	L	87	Confident	81.8	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.6	178.8	-60.3	167.9	0	0	0	108.7	V973 S977 L978 V980 D994 F996 F1067	V973-L990 HydrophobicContact CG2-CB 4.32Å; S977-L990 CarbonylContact C-O 3.6Å; S977-L990 VanDerWaalsContact CA-O 3.28Å; S977-L990 WeakPolarHBondContact CA-O 3.29Å; L978-L990 HydrophobicContact CB-CB 4.32Å; L978-L990 HydrophobicContact CD1-CB 4.45Å; L978-L990 PolarHBondContact N-O 3.04Å; L978-L990 PolarHBondContact O-N 3.49Å; V980-L990 HydrophobicContact CG2-CD1 3.62Å; V980-L990 HydrophobicContact CG2-CG 4Å; L990-D994 HydrophobicContact CB-CB 4.39Å; L990-D994 HydrophobicContact CD2-CB 4.12Å; L990-F996 HydrophobicContact CD1-CB 3.76Å; L990-F996 HydrophobicContact CD1-CD1 3.74Å; L990-F996 HydrophobicContact CD1-CD2 4Å; L990-F996 HydrophobicContact CD1-CE1 4.3Å; L990-F996 HydrophobicContact CD1-CG 3.56Å; L990-F996 HydrophobicContact CD2-CB 4.26Å; L990-F1067 HydrophobicContact CD2-CB 4.01Å
991	G	86.4	Confident	80.2	Confident	23 Å²	23	45.1 Å²	45.1	24%	0.237	24%	0.241	C	C	.	.			trans	-119.7	-167.5	179.7	0	0	0	0	0	113.1	V973 N993 D994	V973-G991 VanDerWaalsContact CB-O 3.3Å; V973-G991 WeakPolarHBondContact CB-O 3.44Å; V973-G991 WeakPolarHBondContact CG1-O 3.3Å; G991-N993 PolarHBondContact O-N 3.01Å; G991-D994 PolarHBondContact N-OD2 3.36Å; G991-D994 WeakPolarHBondContact O-CB 3.31Å; G991-D994 PolarHBondContact O-N 3.3Å; G991-D994 VanDerWaalsContact O-N 3.13Å
992	K	83.2	Confident	78.3	Confident	89 Å²	89	47.2 Å²	47.2	39%	0.387	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	130.1	-179	175.1	163.3	-175.7	92.8	0	111.8	E927 S974 N975	E927-K992 IonicContact OE2-NZ 3.76Å; E927-K992 PolarHBondContact OE2-NZ 3.33Å; S974-K992 VanDerWaalsContact O-CD 3.29Å; S974-K992 WeakPolarHBondContact O-CD 3.48Å; S974-K992 WeakPolarHBondContact O-CE 3.34Å; S974-K992 WeakPolarHBondContact O-CG 3.19Å; S974-K992 PolarHBondContact O-NZ 2.92Å; N975-K992 PolarHBondContact OD1-NZ 2.98Å
993	N	82.7	Confident	76.3	Confident	77 Å²	77	49.7 Å²	49.7	41%	0.412	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	7.9	-175.5	-35.8	-63.8	0	0	0	116.4	F972 V973 G991	F972-N993 VanDerWaalsContact CE2-CA 3.49Å; F972-N993 HydrophobicContact CE2-CB 4.12Å; F972-N993 WeakPolarHBondContact CE2-O 3.41Å; F972-N993 HydrophobicContact CZ-CB 4.17Å; V973-N993 WeakPolarHBondContact O-CA 3.33Å; V973-N993 PolarHBondContact O-N 3.39Å; G991-N993 PolarHBondContact O-N 3.01Å
994	D	85.1	Confident	74.1	Confident	18 Å²	18	51.4 Å²	51.4	10%	0.096	27%	0.271	C	S	.	.			trans	-78.5	145	175.4	-75.9	-44.7	0	0	0	112.7	V973 L990 G991 S1066	V973-D994 PolarHBondContact N-O 3.01Å; L990-D994 HydrophobicContact CB-CB 4.39Å; L990-D994 HydrophobicContact CD2-CB 4.12Å; G991-D994 PolarHBondContact N-OD2 3.36Å; G991-D994 WeakPolarHBondContact O-CB 3.31Å; G991-D994 PolarHBondContact O-N 3.3Å; G991-D994 VanDerWaalsContact O-N 3.13Å; D994-S1066 VanDerWaalsContact CA-OG 3.32Å; D994-S1066 WeakPolarHBondContact CA-OG 3.48Å; D994-S1066 VanDerWaalsContact CB-OG 3.28Å; D994-S1066 WeakPolarHBondContact CB-OG 3.32Å; D994-S1066 VanDerWaalsContact CG-OG 3.26Å; D994-S1066 VanDerWaalsContact OD1-CB 3.23Å; D994-S1066 WeakPolarHBondContact OD1-CB 3.15Å; D994-S1066 PolarHBondContact OD1-OG 2.97Å
995	W	85.9	Confident	72	Confident	9 Å²	9	49.7 Å²	49.7	3%	0.034	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.5	174.5	-73	87.7	0	0	0	110.5	V928 L931 F934 F949 L970 F972 L1061 L1065 S1066 F1067	V928-W995 HydrophobicContact CG1-CH2 3.71Å; V928-W995 HydrophobicContact CG1-CZ2 3.71Å; L931-W995 HydrophobicContact CD1-CZ2 4.01Å; F934-W995 HydrophobicContact CE2-CZ2 4.24Å; F934-W995 HydrophobicContact CZ-CH2 4.45Å; F934-W995 HydrophobicContact CZ-CZ2 4.38Å; F949-W995 HydrophobicContact CE1-CH2 4.22Å; F949-W995 HydrophobicContact CZ-CH2 4.11Å; L970-W995 HydrophobicContact CD1-CE3 4.31Å; L970-W995 HydrophobicContact CD2-CE3 3.84Å; L970-W995 HydrophobicContact CD2-CZ3 3.74Å; L970-W995 HydrophobicContact CG-CE3 3.81Å; L970-W995 HydrophobicContact CG-CZ3 3.94Å; F972-W995 HydrophobicContact CB-CD2 4.11Å; F972-W995 HydrophobicContact CB-CE3 3.92Å; F972-W995 HydrophobicContact CB-CH2 4.07Å; F972-W995 HydrophobicContact CB-CZ2 4.24Å; F972-W995 HydrophobicContact CB-CZ3 3.91Å; F972-W995 AromaticContact CD2-CD1 3.8Å; F972-W995 AromaticContact CD2-CD2 3.78Å; F972-W995 HydrophobicContact CD2-CD2 3.78Å; F972-W995 AromaticContact CD2-CE2 3.41Å; F972-W995 VanDerWaalsContact CD2-CE2 3.41Å; F972-W995 HydrophobicContact CD2-CE3 4.45Å; F972-W995 HydrophobicContact CD2-CG 4.02Å; F972-W995 HydrophobicContact CD2-CH2 4.49Å; F972-W995 AromaticContact CD2-CZ2 3.82Å; F972-W995 HydrophobicContact CD2-CZ2 3.82Å; F972-W995 AromaticContact CD2-NE1 3.42Å; F972-W995 HydrophobicContact CE2-CZ2 4.45Å; F972-W995 AromaticContact CE2-NE1 3.69Å; F972-W995 HydrophobicContact CG-CD2 4.39Å; F972-W995 HydrophobicContact CG-CH2 4.45Å; F972-W995 HydrophobicContact CG-CZ2 4.17Å; W995-L1061 HydrophobicContact CD2-CD2 4.47Å; W995-L1065 HydrophobicContact CB-CD1 3.9Å; W995-L1065 WeakPolarHBondContact O-CD1 3.48Å; W995-S1066 PolarHBondContact N-OG 2.82Å; W995-S1066 WeakPolarHBondContact O-CB 3.39Å; W995-S1066 PolarHBondContact O-N 2.83Å; W995-S1066 VanDerWaalsContact O-N 3.07Å; W995-F1067 PolarHBondContact O-N 3.35Å
996	F	87.4	Confident	69.7	Low	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	151.4	176.9	69.8	-76.9	0	0	0	112.8	L960 I961 Y971 V973 L978 L990 V1027 L1035 F1067 I1069	L960-F996 HydrophobicContact CD2-CE2 3.79Å; L960-F996 HydrophobicContact CD2-CZ 3.58Å; I961-F996 HydrophobicContact CD1-CD2 4.47Å; I961-F996 HydrophobicContact CD1-CE2 4.1Å; Y971-F996 HydrophobicContact CD1-CZ 4.38Å; Y971-F996 HydrophobicContact CD2-CE2 4.03Å; Y971-F996 HydrophobicContact CD2-CZ 4.31Å; Y971-F996 HydrophobicContact CG-CE1 4.32Å; Y971-F996 HydrophobicContact CG-CE2 4Å; Y971-F996 AromaticContact CG-CZ 3.81Å; Y971-F996 HydrophobicContact CG-CZ 3.81Å; Y971-F996 PolarHBondContact N-O 3.37Å; Y971-F996 PolarHBondContact O-N 3.48Å; V973-F996 HydrophobicContact CG2-CD1 3.98Å; V973-F996 HydrophobicContact CG2-CE1 3.62Å; L978-F996 HydrophobicContact CD2-CZ 4.38Å; L990-F996 HydrophobicContact CD1-CB 3.76Å; L990-F996 HydrophobicContact CD1-CD1 3.74Å; L990-F996 HydrophobicContact CD1-CD2 4Å; L990-F996 HydrophobicContact CD1-CE1 4.3Å; L990-F996 HydrophobicContact CD1-CG 3.56Å; L990-F996 HydrophobicContact CD2-CB 4.26Å; F996-V1027 HydrophobicContact CD2-CG1 4.37Å; F996-V1027 HydrophobicContact CE2-CG1 3.88Å; F996-V1027 HydrophobicContact CZ-CG1 4.45Å; F996-L1035 HydrophobicContact CE1-CD2 4.47Å; F996-F1067 WeakPolarHBondContact CA-O 3.27Å; F996-I1069 HydrophobicContact CD2-CD1 4.17Å
997	G	82.2	Confident	67.1	Low	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-149.1	-176.6	0	0	0	0	0	111.3	F1067 I1069	G997-F1067 PolarHBondContact N-O 2.99Å; G997-I1069 WeakPolarHBondContact O-CG1 3.42Å; G997-I1069 PolarHBondContact O-N 2.88Å
998	A	74.3	Confident	64.7	Low	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.347	C	S	.	.			trans	-125.7	147.8	166.6	0	0	0	0	0	110	L967 I1021 Q1070	L967-A998 HydrophobicContact CB-CB 4.36Å; L967-A998 HydrophobicContact CD1-CB 3.88Å; A998-I1021 HydrophobicContact CB-CD1 3.91Å; A998-I1021 HydrophobicContact CB-CG2 3.72Å; A998-Q1070 HydrophobicContact CB-CB 4.47Å
999	F	65.6	Low	62.2	Low	42 Å²	42	68.8 Å²	68.8	18%	0.184	39%	0.386	C	S	.	.			trans	-103.8	134	178.7	-174	-102.6	0	0	0	110.7	E1001 K1058 L1061 Y1062	F999-E1001 HydrophobicContact CD1-CG 4.43Å; F999-E1001 PolarHBondContact O-N 3.37Å; F999-K1058 HydrophobicContact CE1-CD 4Å; F999-K1058 HydrophobicContact CE1-CG 3.86Å; F999-K1058 HydrophobicContact CZ-CB 3.91Å; F999-K1058 HydrophobicContact CZ-CD 3.96Å; F999-K1058 HydrophobicContact CZ-CG 3.65Å; F999-L1061 HydrophobicContact CD2-CB 4.34Å; F999-L1061 HydrophobicContact CD2-CD1 3.8Å; F999-L1061 HydrophobicContact CE2-CB 4.46Å; F999-L1061 HydrophobicContact CE2-CD1 3.73Å; F999-Y1062 HydrophobicContact CE1-CE2 4.28Å
1000	L	60	Low	59.7	Low	28 Å²	28	72 Å²	72	15%	0.147	41%	0.408	C	S	.	.			trans	-82.5	98.3	-174.8	-129.1	82.4	0	0	0	111.5	T1002 F1018 P1019 I1021 L1040	L1000-T1002 PolarHBondContact O-N 3.2Å; L1000-F1018 HydrophobicContact CD2-CD1 3.62Å; L1000-F1018 HydrophobicContact CD2-CE1 3.71Å; L1000-P1019 HydrophobicContact CD1-CG 4.2Å; L1000-P1019 HydrophobicContact CD2-CG 4.19Å; L1000-P1019 HydrophobicContact CG-CG 4.09Å; L1000-I1021 HydrophobicContact CD1-CD1 3.67Å; L1000-L1040 HydrophobicContact CD1-CD1 4.33Å
1001	E	55	Low	57	Low	137 Å²	137	79 Å²	79	64%	0.64	45%	0.446	S	S	*	.			trans	-76.3	68.5	172.2	-62.4	-149.4	139.3	0	0	112.3	F999 Y1062	F999-E1001 HydrophobicContact CD1-CG 4.43Å; F999-E1001 PolarHBondContact O-N 3.37Å; E1001-Y1062 WeakPolarHBondContact OE1-CE1 3.4Å; E1001-Y1062 PolarHBondContact OE1-OH 3.02Å
1002	T	48.1	Very low	54.3	Low	55 Å²	55	85.5 Å²	85.5	34%	0.337	48%	0.475	S	S	.	.			trans	-128.3	74.8	175.3	54.3	0	0	0	0	112.1	L1000 M1004 P1019	L1000-T1002 PolarHBondContact O-N 3.2Å; T1002-M1004 PolarHBondContact O-N 3.47Å; T1002-P1019 HydrophobicContact CG2-CG 4.14Å
1003	D	42	Very low	52	Low	108 Å²	108	88 Å²	88	58%	0.578	50%	0.497	S	S	*	.			trans	-90	52.8	150.6	-67.2	-46.1	0	0	0	108.9	P1005 K1054 K1058	D1003-P1005 WeakPolarHBondContact O-CD 3.4Å; D1003-K1054 IonicContact OD1-NZ 2.62Å; D1003-K1058 IonicContact OD2-NZ 2.74Å; D1003-K1058 PolarHBondContact OD2-NZ 2.8Å
1004	M	36.9	Very low	49.6	Very low	150 Å²	150	88.9 Å²	88.9	74%	0.739	51%	0.51	S	S	*	.			trans	-77.3	115.6	174.2	-84	-66.1	-70.7	0	0	109.4	T1002	T1002-M1004 PolarHBondContact O-N 3.47Å
1005	P	34.4	Very low	46.9	Very low	102 Å²	102	92.6 Å²	92.6	66%	0.662	54%	0.537	S	S	*	.			trans	-73.7	132.2	-179.8	29.9	-33.7	0	0	0	110.8	D1003 N1007	D1003-P1005 WeakPolarHBondContact O-CD 3.4Å; P1005-N1007 PolarHBondContact O-N 3.16Å; P1005-N1007 VanDerWaalsContact O-N 3.11Å
1006	I	33.4	Very low	44.5	Very low	169 Å²	169	97.6 Å²	97.6	87%	0.867	57%	0.573	S	S	*	*	S	Bend	trans	-68.9	-7.9	-178.1	-70	172.2	0	0	0	113
1007	N	28.8	Very low	42.5	Very low	154 Å²	154	103.2 Å²	103.2	82%	0.824	61%	0.608	S	S	*	*			trans	-101.8	83.8	-177	-67.3	-3.1	0	0	0	112	P1005	P1005-N1007 PolarHBondContact O-N 3.16Å; P1005-N1007 VanDerWaalsContact O-N 3.11Å
1008	G	31.8	Very low	41.1	Very low	66 Å²	66	107.2 Å²	107.2	68%	0.68	63%	0.625	S	S	*	*			trans	-155.3	112.7	170.9	0	0	0	0	0	111.2	T1010	G1008-T1010 PolarHBondContact O-N 3.04Å
1009	T	28.7	Very low	40.5	Very low	145 Å²	145	110.4 Å²	110.4	89%	0.89	65%	0.646	S	S	*	*			trans	-90.9	95.7	-166.7	50	0	0	0	0	113.9
1010	T	35.2	Very low	40.5	Very low	137 Å²	137	114 Å²	114	84%	0.84	67%	0.666	S	S	*	*			trans	-146.2	134.9	150	43.6	0	0	0	0	111.2	G1008	G1008-T1010 PolarHBondContact O-N 3.04Å
1011	N	29.9	Very low	41.1	Very low	150 Å²	150	113.2 Å²	113.2	80%	0.802	66%	0.662	S	S	*	*			trans	-56.7	157.9	-168.2	-51.6	-26.6	0	0	0	116.5
1012	N	29.4	Very low	42.4	Very low	159 Å²	159	114.5 Å²	114.5	85%	0.85	66%	0.661	S	S	*	*			trans	74	55.8	151.6	-58.7	-1.7	0	0	0	120.2
1013	V	35.2	Very low	44.1	Very low	142 Å²	142	112.2 Å²	112.2	86%	0.861	65%	0.647	S	S	*	*			trans	-134.4	137.8	142	-176.4	0	0	0	0	109.4
1014	S	32.1	Very low	45.9	Very low	96 Å²	96	112.4 Å²	112.4	67%	0.671	64%	0.64	S	S	*	*			trans	-77.2	131.4	-179.6	44.2	0	0	0	0	113.2
1015	S	29.5	Very low	48.2	Very low	95 Å²	95	105.3 Å²	105.3	66%	0.664	61%	0.605	S	S	*	*	S	Bend	trans	21.2	123.8	148.8	54.8	0	0	0	0	120.7	T1017	S1015-T1017 PolarHBondContact O-N 3.3Å
1016	S	35.1	Very low	50.8	Low	115 Å²	115	101.5 Å²	101.5	80%	0.804	58%	0.579	S	S	*	*			trans	75.6	6.1	144.4	71.7	0	0	0	0	121	F1018	S1016-F1018 PolarHBondContact O-N 2.95Å; S1016-F1018 VanDerWaalsContact O-N 3.08Å
1017	T	44.2	Very low	53.5	Low	118 Å²	118	93.4 Å²	93.4	72%	0.724	54%	0.538	S	S	*	.			trans	-67.2	107.1	176.5	-47	0	0	0	0	112.6	S1015	S1015-T1017 PolarHBondContact O-N 3.3Å
1018	F	52.4	Low	56.5	Low	83 Å²	83	87.9 Å²	87.9	36%	0.364	51%	0.506	S	S	.	.			trans	-62	141.6	165.9	-92.2	-108.9	0	0	0	110.4	L1000 S1016 I1020 V1041	L1000-F1018 HydrophobicContact CD2-CD1 3.62Å; L1000-F1018 HydrophobicContact CD2-CE1 3.71Å; S1016-F1018 PolarHBondContact O-N 2.95Å; S1016-F1018 VanDerWaalsContact O-N 3.08Å; F1018-I1020 PolarHBondContact O-N 2.87Å; F1018-V1041 HydrophobicContact CD1-CG2 4.05Å; F1018-V1041 HydrophobicContact CD2-CG2 4.24Å; F1018-V1041 HydrophobicContact CE1-CB 4.27Å; F1018-V1041 HydrophobicContact CE1-CG2 3.9Å; F1018-V1041 HydrophobicContact CE2-CB 4.4Å; F1018-V1041 HydrophobicContact CE2-CG1 3.9Å; F1018-V1041 HydrophobicContact CE2-CG2 4.09Å; F1018-V1041 HydrophobicContact CG-CG2 4.23Å; F1018-V1041 HydrophobicContact CZ-CB 4.01Å; F1018-V1041 HydrophobicContact CZ-CG1 3.83Å; F1018-V1041 HydrophobicContact CZ-CG2 3.93Å
1019	P	62.5	Low	59.3	Low	67 Å²	67	84.8 Å²	84.8	44%	0.435	47%	0.474	S	S	.	.			trans	-62	128	177.3	25.7	-33.9	0	0	0	111.1	L1000 T1002 I1021	L1000-P1019 HydrophobicContact CD1-CG 4.2Å; L1000-P1019 HydrophobicContact CD2-CG 4.19Å; L1000-P1019 HydrophobicContact CG-CG 4.09Å; T1002-P1019 HydrophobicContact CG2-CG 4.14Å; P1019-I1021 PolarHBondContact O-N 2.88Å; P1019-I1021 VanDerWaalsContact O-N 3.09Å
1020	I	66.6	Low	62.2	Low	117 Å²	117	80.6 Å²	80.6	60%	0.6	45%	0.446	S	S	*	.			trans	-80.3	91.5	179.6	-57.2	179.1	0	0	0	108.8	I966 F1018	I966-I1020 HydrophobicContact CD1-CG2 3.99Å; I966-I1020 HydrophobicContact CG1-CG2 3.99Å; I966-I1020 HydrophobicContact CG2-CG2 3.86Å; F1018-I1020 PolarHBondContact O-N 2.87Å
1021	I	72.7	Confident	64.7	Low	12 Å²	12	76.1 Å²	76.1	6%	0.062	42%	0.418	C	S	.	.			trans	-78.5	131.6	172.3	-59.2	172.6	0	0	0	109.1	I966 L967 A998 L1000 P1019 Q1070	I966-I1021 CarbonylContact C-O 3.14Å; I966-I1021 WeakPolarHBondContact CA-O 3.31Å; L967-I1021 HydrophobicContact CB-CB 4.4Å; L967-I1021 HydrophobicContact CB-CG2 4.16Å; L967-I1021 HydrophobicContact CD1-CG2 4.1Å; L967-I1021 PolarHBondContact N-O 3.4Å; A998-I1021 HydrophobicContact CB-CD1 3.91Å; A998-I1021 HydrophobicContact CB-CG2 3.72Å; L1000-I1021 HydrophobicContact CD1-CD1 3.67Å; P1019-I1021 PolarHBondContact O-N 2.88Å; P1019-I1021 VanDerWaalsContact O-N 3.09Å; I1021-Q1070 HydrophobicContact CG2-CB 4.29Å; I1021-Q1070 HydrophobicContact CG2-CG 4.04Å
1022	R	80.8	Confident	67.5	Low	164 Å²	164	75.4 Å²	75.4	62%	0.619	41%	0.405	S	S	*	.	B	Isolated β-bridge	trans	-105.3	148	170.7	-66.5	-177.1	-178.5	157.8	-0.8	110.9	G964 D965	G964-R1022 WeakPolarHBondContact O-CG 3.45Å; D965-R1022 CarbonylContact O-C 3.56Å; D965-R1022 VanDerWaalsContact O-CA 3.27Å; D965-R1022 WeakPolarHBondContact O-CA 3.31Å
1023	S	84.2	Confident	70.3	Confident	8 Å²	8	67.8 Å²	67.8	6%	0.056	37%	0.365	C	S	.	.			trans	-71.4	139.5	171.4	50.3	0	0	0	0	112.3	H962 G964 D965	H962-S1023 PolarHBondContact O-OG 2.89Å; G964-S1023 PolarHBondContact N-O 3.27Å; G964-S1023 PolarHBondContact N-OG 3.28Å; G964-S1023 VanDerWaalsContact N-OG 3.07Å; D965-S1023 PolarHBondContact N-OG 3.04Å; D965-S1023 PolarHBondContact O-N 2.84Å; D965-S1023 PolarHBondContact O-OG 3.23Å
1024	R	80	Confident	72.9	Confident	111 Å²	111	63.5 Å²	63.5	42%	0.419	34%	0.337	S	S	.	.	S	Bend	trans	-88.6	-24.2	170.2	-175.8	178.4	173	137.3	8.2	113.7	T963 E982 I1069	T963-R1024 WeakPolarHBondContact CG2-O 3.38Å; E982-R1024 IonicContact OE1-CZ 2.69Å; E982-R1024 IonicContact OE1-NE 2.65Å; E982-R1024 PolarHBondContact OE1-NE 3.01Å; E982-R1024 IonicContact OE1-NH2 2.65Å; E982-R1024 PolarHBondContact OE1-NH2 3.21Å; E982-R1024 IonicContact OE2-NE 3.78Å; R1024-I1069 VanDerWaalsContact CB-O 3.22Å; R1024-I1069 WeakPolarHBondContact CB-O 3.14Å; R1024-I1069 PolarHBondContact N-O 3.5Å; R1024-I1069 VanDerWaalsContact N-O 3.16Å
1025	C	84.5	Confident	75.7	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.014	31%	0.305	C	S	.	.	S	Bend	trans	-127.2	150.8	-171.8	-53.1	0	0	0	0	110.8	V980 L981 I1069	V980-C1025 HydrophobicContact CG1-CB 3.49Å; V980-C1025 VanDerWaalsContact CG1-CB 3.49Å; L981-C1025 CarbonylContact O-C 3.53Å; L981-C1025 VanDerWaalsContact O-CA 3.25Å; L981-C1025 WeakPolarHBondContact O-CA 3.31Å; L981-C1025 VanDerWaalsContact O-CB 3.27Å; L981-C1025 WeakPolarHBondContact O-CB 3.45Å; C1025-I1069 HydrophobicContact CB-CG2 4.34Å
1026	D	88.7	Confident	78.6	Confident	21 Å²	21	54.9 Å²	54.9	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	151.9	162.3	-53.3	-76.4	0	0	0	109.2	Y959 I961 H962 T963 V980 L981	Y959-D1026 HydrophobicContact CD1-CB 3.98Å; Y959-D1026 HydrophobicContact CE1-CB 4.12Å; I961-D1026 CarbonylContact O-C 3.58Å; I961-D1026 VanDerWaalsContact O-CA 3.3Å; I961-D1026 WeakPolarHBondContact O-CA 3.48Å; H962-D1026 WeakPolarHBondContact CA-OD1 3.41Å; H962-D1026 IonicContact CG-OD1 2.76Å; H962-D1026 IonicContact ND1-OD1 3.08Å; H962-D1026 PolarHBondContact ND1-OD1 3.08Å; T963-D1026 PolarHBondContact N-OD1 3.28Å; V980-D1026 WeakPolarHBondContact CA-O 3.44Å; L981-D1026 HydrophobicContact CB-CB 4.29Å; L981-D1026 PolarHBondContact N-O 3.39Å; L981-D1026 PolarHBondContact O-N 2.65Å
1027	V	90.9	Very high	81.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.8	173	-176.1	0	0	0	0	109	Y959 L960 I961 L978 V980 F996 I1069	Y959-V1027 CarbonylContact C-O 3.49Å; Y959-V1027 WeakPolarHBondContact CA-O 3.26Å; L960-V1027 PolarHBondContact N-O 3.01Å; I961-V1027 HydrophobicContact CB-CB 4.13Å; I961-V1027 HydrophobicContact CB-CG2 4.14Å; I961-V1027 HydrophobicContact CD1-CG2 4.16Å; I961-V1027 HydrophobicContact CG1-CB 4.49Å; I961-V1027 PolarHBondContact O-N 3.4Å; L978-V1027 HydrophobicContact CB-CG1 4.3Å; L978-V1027 HydrophobicContact CD2-CG1 3.88Å; V980-V1027 HydrophobicContact CG1-CG2 4.36Å; V980-V1027 HydrophobicContact CG2-CG2 4.3Å; F996-V1027 HydrophobicContact CD2-CG1 4.37Å; F996-V1027 HydrophobicContact CE2-CG1 3.88Å; F996-V1027 HydrophobicContact CZ-CG1 4.45Å; V1027-I1069 HydrophobicContact CG2-CD1 4.31Å
1028	K	91.4	Very high	83.5	Confident	37 Å²	37	45.1 Å²	45.1	16%	0.161	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.9	-171.3	168.9	153.1	153.5	-92.7	0	112.2	E958 Y959 L978 E979 L981	E958-K1028 CarbonylContact O-C 3.48Å; E958-K1028 VanDerWaalsContact O-CA 3.31Å; E958-K1028 WeakPolarHBondContact O-CA 3.35Å; Y959-K1028 HydrophobicContact CD1-CB 3.8Å; Y959-K1028 HydrophobicContact CD1-CD 3.94Å; Y959-K1028 HydrophobicContact CD1-CG 4.42Å; Y959-K1028 HydrophobicContact CD2-CD 4.18Å; Y959-K1028 HydrophobicContact CE1-CB 3.91Å; Y959-K1028 HydrophobicContact CE1-CD 3.47Å; Y959-K1028 VanDerWaalsContact CE1-CD 3.47Å; Y959-K1028 HydrophobicContact CE1-CG 4.32Å; Y959-K1028 HydrophobicContact CE2-CD 3.74Å; Y959-K1028 HydrophobicContact CG-CB 4.43Å; Y959-K1028 HydrophobicContact CG-CD 4.27Å; L978-K1028 CarbonylContact C-O 3.56Å; L978-K1028 WeakPolarHBondContact CA-O 3.33Å; L978-K1028 WeakPolarHBondContact CB-O 3.29Å; E979-K1028 HydrophobicContact CG-CB 4.08Å; E979-K1028 HydrophobicContact CG-CG 4.31Å; E979-K1028 PolarHBondContact N-O 3.01Å; E979-K1028 PolarHBondContact O-N 3.25Å; E979-K1028 IonicContact OE1-NZ 3.79Å; E979-K1028 PolarHBondContact OE1-NZ 3.42Å; L981-K1028 HydrophobicContact CD1-CB 4.18Å; L981-K1028 HydrophobicContact CD1-CD 4.41Å
1029	S	91	Very high	85.3	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.7	174.8	51.7	0	0	0	0	112	T955 G957 E958	T955-S1029 WeakPolarHBondContact O-CB 3.32Å; T955-S1029 PolarHBondContact O-OG 2.89Å; G957-S1029 WeakPolarHBondContact CA-O 3.49Å; G957-S1029 PolarHBondContact N-O 3.29Å; G957-S1029 PolarHBondContact N-OG 2.86Å; E958-S1029 PolarHBondContact N-OG 3.47Å; E958-S1029 PolarHBondContact O-N 2.76Å; E958-S1029 PolarHBondContact O-OG 2.9Å; E958-S1029 VanDerWaalsContact O-OG 3.12Å
1030	L	89.1	Confident	86.3	Confident	57 Å²	57	40 Å²	40	30%	0.298	18%	0.181	S	C	.	.	S	Bend	trans	-94.3	-34.1	168.4	-70.2	172.9	0	0	0	111.5	S977 E979 L989	S977-L1030 PolarHBondContact O-N 3.46Å; E979-L1030 HydrophobicContact CB-CD1 4.23Å; E979-L1030 HydrophobicContact CB-CD2 4.4Å; E979-L1030 HydrophobicContact CB-CG 4.23Å; E979-L1030 HydrophobicContact CG-CD2 4.02Å; E979-L1030 HydrophobicContact CG-CG 4.17Å; L989-L1030 HydrophobicContact CD2-CD1 3.8Å
1031	T	89.1	Confident	87.1	Confident	43 Å²	43	37.2 Å²	37.2	26%	0.264	17%	0.169	S	C	.	.	S	Bend	trans	-128.1	180	-179.7	55.3	0	0	0	0	110.8	G976 S977 C1033	G976-T1031 WeakPolarHBondContact CA-OG1 3.49Å; S977-T1031 PolarHBondContact N-OG1 3.37Å; S977-T1031 PolarHBondContact O-N 3.15Å; S977-T1031 WeakPolarHBondContact OG-CG2 3.27Å; S977-T1031 PolarHBondContact OG-OG1 2.9Å; T1031-C1033 PolarHBondContact O-N 2.9Å; T1031-C1033 PolarHBondContact O-SG 3.5Å
1032	Y	87.3	Confident	87.8	Confident	135 Å²	135	38.4 Å²	38.4	53%	0.529	18%	0.177	S	C	.	.			trans	-64.2	115.7	168.5	-68	-73.5	0	0	0	109.3	T895 F953 C954 T955 P956	T895-Y1032 HydrophobicContact CG2-CE1 4.38Å; F953-Y1032 HydrophobicContact CE1-CD1 4.23Å; F953-Y1032 HydrophobicContact CE2-CD1 4.04Å; F953-Y1032 HydrophobicContact CE2-CG 4.47Å; F953-Y1032 AromaticContact CZ-CD1 3.38Å; F953-Y1032 HydrophobicContact CZ-CD1 3.38Å; F953-Y1032 HydrophobicContact CZ-CE1 4.11Å; F953-Y1032 HydrophobicContact CZ-CG 4.19Å; C954-Y1032 WeakPolarHBondContact O-CA 3.15Å; T955-Y1032 HydrophobicContact CG2-CD1 4.34Å; T955-Y1032 HydrophobicContact CG2-CE1 4.03Å; P956-Y1032 VanDerWaalsContact CD-CE1 3.42Å; P956-Y1032 HydrophobicContact CG-CD1 4.29Å; P956-Y1032 HydrophobicContact CG-CD2 4.16Å; P956-Y1032 HydrophobicContact CG-CE1 4.26Å; P956-Y1032 HydrophobicContact CG-CE2 4.09Å; P956-Y1032 HydrophobicContact CG-CG 4.26Å
1033	C	88.5	Confident	88.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.4	-172.7	-61.6	0	0	0	0	112	F953 C954 N975 S977 L978 T1031 L1035	F953-C1033 WeakPolarHBondContact CA-O 3.44Å; C954-C1033 HydrophobicContact CB-CB 4.35Å; C954-C1033 PolarHBondContact N-O 3.32Å; C954-C1033 PolarHBondContact O-N 2.86Å; N975-C1033 WeakPolarHBondContact O-CA 3.43Å; S977-C1033 PolarHBondContact N-SG 3.17Å; S977-C1033 VanDerWaalsContact N-SG 3.42Å; S977-C1033 PolarHBondContact O-SG 3.14Å; L978-C1033 HydrophobicContact CD1-CB 4.45Å; T1031-C1033 PolarHBondContact O-N 2.9Å; T1031-C1033 PolarHBondContact O-SG 3.5Å; C1033-L1035 HydrophobicContact CB-CD2 4.18Å; C1033-L1035 HydrophobicContact CB-CG 4.24Å
1034	D	89.7	Confident	88.1	Confident	51 Å²	51	32.1 Å²	32.1	27%	0.273	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.3	168.8	-62.4	-38.3	0	0	0	107.8	S974 N975	S974-D1034 PolarHBondContact N-O 3.1Å; S974-D1034 VanDerWaalsContact OG-CB 3.29Å; S974-D1034 WeakPolarHBondContact OG-CB 3.41Å; S974-D1034 PolarHBondContact OG-O 3.46Å; N975-D1034 HydrophobicContact CB-CB 4.08Å; N975-D1034 WeakPolarHBondContact CB-OD2 3.37Å; N975-D1034 PolarHBondContact N-O 2.94Å; N975-D1034 PolarHBondContact ND2-OD2 3.34Å; N975-D1034 PolarHBondContact O-N 2.95Å
1035	L	91.1	Very high	88.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.9	-174.3	-58.2	-178.2	0	0	0	110.8	L951 T952 L960 F972 V973 L978 F996 C1033	L951-L1035 CarbonylContact C-O 3.54Å; L951-L1035 WeakPolarHBondContact CA-O 3.47Å; T952-L1035 PolarHBondContact N-O 2.73Å; T952-L1035 PolarHBondContact O-N 2.8Å; L960-L1035 HydrophobicContact CD1-CD1 4.1Å; L960-L1035 HydrophobicContact CD2-CD1 3.49Å; L960-L1035 VanDerWaalsContact CD2-CD1 3.49Å; L960-L1035 HydrophobicContact CG-CD1 4.39Å; F972-L1035 WeakPolarHBondContact O-CA 3.31Å; V973-L1035 HydrophobicContact CB-CD2 4.25Å; V973-L1035 HydrophobicContact CG1-CD2 4.27Å; V973-L1035 HydrophobicContact CG2-CD2 3.95Å; L978-L1035 HydrophobicContact CD1-CD2 4.06Å; L978-L1035 HydrophobicContact CD2-CD1 4.36Å; F996-L1035 HydrophobicContact CE1-CD2 4.47Å; C1033-L1035 HydrophobicContact CB-CD2 4.18Å; C1033-L1035 HydrophobicContact CB-CG 4.24Å
1036	H	91.5	Very high	88.5	Confident	11 Å²	11	31.9 Å²	31.9	5%	0.051	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141	165.4	-61.4	-111.6	0	0	0	108.7	N925 V928 F949 K950 Y971 F972 S974	N925-H1036 PolarHBondContact OD1-CE1 3.3Å; N925-H1036 PolarHBondContact OD1-ND1 2.97Å; V928-H1036 HydrophobicContact CG2-CB 3.76Å; V928-H1036 VanDerWaalsContact CG2-CG 3.44Å; F949-H1036 HydrophobicContact CD1-CB 4.5Å; K950-H1036 CarbonylContact O-C 3.51Å; K950-H1036 WeakPolarHBondContact O-CA 3.15Å; Y971-H1036 WeakPolarHBondContact CA-O 3.31Å; F972-H1036 HydrophobicContact CD1-CB 4.43Å; F972-H1036 PolarHBondContact N-O 3.45Å; F972-H1036 PolarHBondContact O-N 3.12Å; S974-H1036 PolarHBondContact OG-CD2 2.93Å; S974-H1036 PolarHBondContact OG-NE2 3.34Å
1037	Y	91.2	Very high	88.3	Confident	26 Å²	26	31.5 Å²	31.5	10%	0.102	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157	172.8	78.1	-95.2	0	0	0	112.1	F949 K950 T952 R969 L970 Y971	F949-Y1037 WeakPolarHBondContact CA-O 3.32Å; K950-Y1037 HydrophobicContact CB-CD1 4.03Å; K950-Y1037 HydrophobicContact CB-CD2 4.46Å; K950-Y1037 HydrophobicContact CB-CE1 3.58Å; K950-Y1037 HydrophobicContact CB-CE2 4.06Å; K950-Y1037 HydrophobicContact CB-CG 4.46Å; K950-Y1037 HydrophobicContact CD-CE1 4.39Å; K950-Y1037 HydrophobicContact CD-CE2 3.65Å; K950-Y1037 WeakPolarHBondContact CD-OH 3.14Å; K950-Y1037 HydrophobicContact CG-CE2 4.44Å; K950-Y1037 PolarHBondContact N-O 3.06Å; K950-Y1037 PolarHBondContact O-N 2.9Å; T952-Y1037 VanDerWaalsContact OG1-CE1 3.3Å; T952-Y1037 WeakPolarHBondContact OG1-CE1 3.42Å; R969-Y1037 HydrophobicContact CB-CD2 4.37Å; R969-Y1037 VanDerWaalsContact CD-CD2 3.44Å; R969-Y1037 HydrophobicContact CG-CD2 3.75Å; R969-Y1037 HydrophobicContact CG-CE2 4.15Å; L970-Y1037 VanDerWaalsContact O-CA 3.29Å; L970-Y1037 WeakPolarHBondContact O-CA 3.31Å; Y971-Y1037 HydrophobicContact CD1-CG 4.45Å; Y971-Y1037 HydrophobicContact CE1-CD1 4.35Å; Y971-Y1037 HydrophobicContact CE1-CG 4.15Å
1038	I	90.8	Very high	88.1	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.9	169.2	-168.1	161.5	0	0	0	109.3	L945 N948 F949 R969 L970 L1043	L945-I1038 HydrophobicContact CD2-CD1 4.15Å; N948-I1038 HydrophobicContact CB-CD1 4.07Å; N948-I1038 HydrophobicContact CB-CG1 4.39Å; F949-I1038 HydrophobicContact CD1-CB 3.9Å; F949-I1038 HydrophobicContact CD1-CG2 4.42Å; F949-I1038 HydrophobicContact CE1-CB 3.89Å; F949-I1038 HydrophobicContact CE1-CG2 3.89Å; F949-I1038 HydrophobicContact CZ-CG2 4.42Å; R969-I1038 WeakPolarHBondContact CA-O 3.22Å; L970-I1038 HydrophobicContact CB-CG2 4.28Å; L970-I1038 PolarHBondContact N-O 3.37Å; L970-I1038 PolarHBondContact O-N 2.95Å; I1038-L1043 HydrophobicContact CD1-CB 4.34Å; I1038-L1043 HydrophobicContact CD1-CD1 4.24Å; I1038-L1043 HydrophobicContact CG1-CB 4.29Å; I1038-L1043 HydrophobicContact CG2-CB 4.37Å; I1038-L1043 HydrophobicContact CG2-CD2 4.09Å
1039	D	88.9	Confident	87.8	Confident	29 Å²	29	40.2 Å²	40.2	16%	0.155	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.2	178.5	-59.2	-69.6	0	0	0	109.4	K950 R969 V1041 T1042 L1043	K950-D1039 IonicContact NZ-OD2 2.65Å; K950-D1039 PolarHBondContact NZ-OD2 3.05Å; R969-D1039 VanDerWaalsContact CG-OD1 3.26Å; R969-D1039 WeakPolarHBondContact CG-OD1 3.49Å; R969-D1039 IonicContact CZ-OD1 3.33Å; R969-D1039 IonicContact NE-OD1 2.65Å; R969-D1039 PolarHBondContact NE-OD1 3.28Å; R969-D1039 IonicContact NH2-OD1 3.04Å; D1039-V1041 VanDerWaalsContact C-N 3.26Å; D1039-V1041 PolarHBondContact O-N 3.37Å; D1039-T1042 PolarHBondContact O-N 3.19Å; D1039-L1043 PolarHBondContact O-N 3.02Å
1040	L	84.6	Confident	87.6	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.079	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-29.8	-168.4	-73.4	171.9	0	0	0	113.7	R968 L970 L1000 L1043 S1044	R968-L1040 PolarHBondContact O-N 3.08Å; L970-L1040 HydrophobicContact CB-CD2 3.97Å; L1000-L1040 HydrophobicContact CD1-CD1 4.33Å; L1040-L1043 HydrophobicContact CD2-CD2 4.43Å; L1040-S1044 WeakPolarHBondContact O-CB 3.33Å; L1040-S1044 PolarHBondContact O-N 3.44Å
1041	V	84	Confident	87.3	Confident	58 Å²	58	43.7 Å²	43.7	35%	0.352	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-56.1	175.2	178.5	0	0	0	0	110.1	F1018 D1039 L1043 S1044 E1045	F1018-V1041 HydrophobicContact CD1-CG2 4.05Å; F1018-V1041 HydrophobicContact CD2-CG2 4.24Å; F1018-V1041 HydrophobicContact CE1-CB 4.27Å; F1018-V1041 HydrophobicContact CE1-CG2 3.9Å; F1018-V1041 HydrophobicContact CE2-CB 4.4Å; F1018-V1041 HydrophobicContact CE2-CG1 3.9Å; F1018-V1041 HydrophobicContact CE2-CG2 4.09Å; F1018-V1041 HydrophobicContact CG-CG2 4.23Å; F1018-V1041 HydrophobicContact CZ-CB 4.01Å; F1018-V1041 HydrophobicContact CZ-CG1 3.83Å; F1018-V1041 HydrophobicContact CZ-CG2 3.93Å; D1039-V1041 VanDerWaalsContact C-N 3.26Å; D1039-V1041 PolarHBondContact O-N 3.37Å; V1041-L1043 VanDerWaalsContact C-N 3.34Å; V1041-L1043 PolarHBondContact O-N 3.5Å; V1041-S1044 WeakPolarHBondContact O-CB 3.45Å; V1041-S1044 PolarHBondContact O-N 2.84Å; V1041-S1044 VanDerWaalsContact O-N 3.09Å; V1041-E1045 PolarHBondContact O-N 3.36Å
1042	T	86.1	Confident	87	Confident	36 Å²	36	52.4 Å²	52.4	22%	0.221	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-33.6	-179.2	-47.1	0	0	0	0	112.1	N948 D1039 E1045 I1046	N948-T1042 HydrophobicContact CB-CG2 4.16Å; N948-T1042 WeakPolarHBondContact OD1-CG2 3.3Å; D1039-T1042 PolarHBondContact O-N 3.19Å; T1042-E1045 PolarHBondContact O-N 2.91Å; T1042-I1046 HydrophobicContact CG2-CD1 4.15Å; T1042-I1046 WeakPolarHBondContact O-CD1 3.31Å; T1042-I1046 VanDerWaalsContact O-CG1 3.26Å; T1042-I1046 WeakPolarHBondContact O-CG1 3.43Å; T1042-I1046 PolarHBondContact O-N 3.3Å
1043	L	87.4	Confident	86.9	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-47.5	169.4	179.9	61.5	0	0	0	110.9	L945 L970 I1038 D1039 L1040 V1041 E1045 I1046 L1047 L1057	L945-L1043 HydrophobicContact CD2-CD1 3.91Å; L970-L1043 HydrophobicContact CD2-CD2 4.15Å; I1038-L1043 HydrophobicContact CD1-CB 4.34Å; I1038-L1043 HydrophobicContact CD1-CD1 4.24Å; I1038-L1043 HydrophobicContact CG1-CB 4.29Å; I1038-L1043 HydrophobicContact CG2-CB 4.37Å; I1038-L1043 HydrophobicContact CG2-CD2 4.09Å; D1039-L1043 PolarHBondContact O-N 3.02Å; L1040-L1043 HydrophobicContact CD2-CD2 4.43Å; V1041-L1043 VanDerWaalsContact C-N 3.34Å; V1041-L1043 PolarHBondContact O-N 3.5Å; L1043-E1045 VanDerWaalsContact C-N 3.34Å; L1043-E1045 PolarHBondContact O-N 3.26Å; L1043-I1046 PolarHBondContact O-N 3.07Å; L1043-L1047 HydrophobicContact CD1-CD1 3.87Å; L1043-L1047 HydrophobicContact CD1-CD2 4.36Å; L1043-L1047 HydrophobicContact CD1-CG 3.92Å; L1043-L1047 HydrophobicContact CG-CD1 3.84Å; L1043-L1047 HydrophobicContact CG-CG 4.27Å; L1043-L1047 WeakPolarHBondContact O-CB 3.48Å; L1043-L1047 WeakPolarHBondContact O-CG 3.47Å; L1043-L1047 PolarHBondContact O-N 3.37Å; L1043-L1057 HydrophobicContact CD1-CD2 4.27Å
1044	S	84	Confident	86.8	Confident	27 Å²	27	48.8 Å²	48.8	19%	0.189	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-45	176.9	-170.1	0	0	0	0	111.9	L1040 V1041 L1047 N1048	L1040-S1044 WeakPolarHBondContact O-CB 3.33Å; L1040-S1044 PolarHBondContact O-N 3.44Å; V1041-S1044 WeakPolarHBondContact O-CB 3.45Å; V1041-S1044 PolarHBondContact O-N 2.84Å; V1041-S1044 VanDerWaalsContact O-N 3.09Å; S1044-L1047 PolarHBondContact O-N 3.15Å; S1044-N1048 WeakPolarHBondContact O-CB 3.15Å; S1044-N1048 PolarHBondContact O-N 3.5Å; S1044-N1048 PolarHBondContact O-ND2 3.37Å; S1044-N1048 PolarHBondContact OG-ND2 2.85Å
1045	E	85.9	Confident	86.3	Confident	102 Å²	102	49.3 Å²	49.3	48%	0.477	25%	0.252	S	S	.	.	H	α-helix	trans	-57.5	-50.5	176	-69.5	167	-179.3	0	0	112.6	V1041 T1042 L1043 L1047 N1048 Q1049	V1041-E1045 PolarHBondContact O-N 3.36Å; T1042-E1045 PolarHBondContact O-N 2.91Å; L1043-E1045 VanDerWaalsContact C-N 3.34Å; L1043-E1045 PolarHBondContact O-N 3.26Å; E1045-L1047 VanDerWaalsContact C-N 3.35Å; E1045-L1047 PolarHBondContact O-N 3.17Å; E1045-N1048 PolarHBondContact O-N 3.03Å; E1045-Q1049 WeakPolarHBondContact O-CG 3.17Å; E1045-Q1049 PolarHBondContact O-N 2.78Å; E1045-Q1049 VanDerWaalsContact O-N 3.1Å
1046	I	86.3	Confident	85.9	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-40.6	179.3	-63.6	161.7	0	0	0	111.1	S944 L945 N948 T1042 L1043 Q1049 H1050	S944-I1046 WeakPolarHBondContact O-CD1 3.17Å; L945-I1046 HydrophobicContact CD2-CB 4.48Å; L945-I1046 HydrophobicContact CD2-CD1 4.21Å; L945-I1046 HydrophobicContact CD2-CG2 3.89Å; L945-I1046 HydrophobicContact CG-CG2 4.03Å; N948-I1046 HydrophobicContact CB-CD1 4.22Å; T1042-I1046 HydrophobicContact CG2-CD1 4.15Å; T1042-I1046 WeakPolarHBondContact O-CD1 3.31Å; T1042-I1046 VanDerWaalsContact O-CG1 3.26Å; T1042-I1046 WeakPolarHBondContact O-CG1 3.43Å; T1042-I1046 PolarHBondContact O-N 3.3Å; L1043-I1046 PolarHBondContact O-N 3.07Å; I1046-Q1049 WeakPolarHBondContact O-CB 3.32Å; I1046-Q1049 PolarHBondContact O-N 3.37Å; I1046-H1050 PolarHBondContact O-N 2.73Å
1047	L	86	Confident	85.5	Confident	13 Å²	13	52.2 Å²	52.2	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-69.9	-33	178.5	-66.8	-179.5	0	0	0	112.4	L1043 S1044 E1045 Q1049 H1050 F1053 K1054 L1057	L1043-L1047 HydrophobicContact CD1-CD1 3.87Å; L1043-L1047 HydrophobicContact CD1-CD2 4.36Å; L1043-L1047 HydrophobicContact CD1-CG 3.92Å; L1043-L1047 HydrophobicContact CG-CD1 3.84Å; L1043-L1047 HydrophobicContact CG-CG 4.27Å; L1043-L1047 WeakPolarHBondContact O-CB 3.48Å; L1043-L1047 WeakPolarHBondContact O-CG 3.47Å; L1043-L1047 PolarHBondContact O-N 3.37Å; S1044-L1047 PolarHBondContact O-N 3.15Å; E1045-L1047 VanDerWaalsContact C-N 3.35Å; E1045-L1047 PolarHBondContact O-N 3.17Å; L1047-Q1049 VanDerWaalsContact C-N 3.31Å; L1047-H1050 CarbonylContact O-C 3.54Å; L1047-H1050 PolarHBondContact O-N 3.08Å; L1047-F1053 HydrophobicContact CD2-CD1 3.67Å; L1047-F1053 HydrophobicContact CD2-CE1 3.99Å; L1047-K1054 HydrophobicContact CB-CB 3.93Å; L1047-K1054 HydrophobicContact CB-CD 4.13Å; L1047-K1054 HydrophobicContact CB-CG 3.89Å; L1047-K1054 HydrophobicContact CD1-CG 4.49Å; L1047-L1057 HydrophobicContact CD1-CD2 3.92Å; L1047-L1057 HydrophobicContact CD2-CD2 3.77Å; L1047-L1057 HydrophobicContact CG-CD2 4.42Å
1048	N	85.7	Confident	84.9	Confident	88 Å²	88	53.1 Å²	53.1	47%	0.471	27%	0.27	S	S	.	.	H	α-helix	trans	-69.2	-29.2	173.1	-66.9	-28.9	0	0	0	112	S1044 E1045 K1054	S1044-N1048 WeakPolarHBondContact O-CB 3.15Å; S1044-N1048 PolarHBondContact O-N 3.5Å; S1044-N1048 PolarHBondContact O-ND2 3.37Å; S1044-N1048 PolarHBondContact OG-ND2 2.85Å; E1045-N1048 PolarHBondContact O-N 3.03Å; N1048-K1054 PolarHBondContact OD1-NZ 2.95Å
1049	Q	85.9	Confident	84.3	Confident	132 Å²	132	56.3 Å²	56.3	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-73.1	-27.4	169.4	-65.4	173.5	25.9	0	0	113	E1045 I1046 L1047 P1051	E1045-Q1049 WeakPolarHBondContact O-CG 3.17Å; E1045-Q1049 PolarHBondContact O-N 2.78Å; E1045-Q1049 VanDerWaalsContact O-N 3.1Å; I1046-Q1049 WeakPolarHBondContact O-CB 3.32Å; I1046-Q1049 PolarHBondContact O-N 3.37Å; L1047-Q1049 VanDerWaalsContact C-N 3.31Å; Q1049-P1051 VanDerWaalsContact C-CD 3.42Å; Q1049-P1051 WeakPolarHBondContact O-CD 3.27Å
1050	H	86.5	Confident	83.7	Confident	45 Å²	45	57.5 Å²	57.5	21%	0.208	30%	0.295	C	S	.	.			trans	-121.5	64.7	-178.7	-63.4	-57	0	0	0	112.8	C941 I1046 L1047 R1052 F1053 K1054	C941-H1050 WeakPolarHBondContact CA-NE2 3.21Å; C941-H1050 WeakPolarHBondContact CB-CD2 3.4Å; C941-H1050 PolarHBondContact SG-CD2 3.4Å; I1046-H1050 PolarHBondContact O-N 2.73Å; L1047-H1050 CarbonylContact O-C 3.54Å; L1047-H1050 PolarHBondContact O-N 3.08Å; H1050-R1052 VanDerWaalsContact C-N 3.27Å; H1050-R1052 PolarHBondContact O-N 2.9Å; H1050-R1052 VanDerWaalsContact O-N 3.11Å; H1050-F1053 HydrophobicContact CB-CB 4.29Å; H1050-F1053 PolarHBondContact O-N 3.04Å; H1050-K1054 PolarHBondContact O-N 2.71Å
1051	P	83.8	Confident	83.3	Confident	86 Å²	86	57 Å²	57	56%	0.558	29%	0.292	S	S	*	.	H	α-helix	trans	-62.6	-26.2	-169.1	23.5	-35	0	0	0	114.9	Q1049 K1054 A1055	Q1049-P1051 VanDerWaalsContact C-CD 3.42Å; Q1049-P1051 WeakPolarHBondContact O-CD 3.27Å; P1051-K1054 PolarHBondContact O-N 3.35Å; P1051-A1055 PolarHBondContact O-N 3.06Å
1052	R	82.1	Confident	82.7	Confident	226 Å²	226	60 Å²	60	85%	0.853	30%	0.298	S	S	*	.	H	α-helix	trans	-62.5	-45.9	171.3	-70.2	-174.7	178.6	-178.4	-1	111.5	H1050	H1050-R1052 VanDerWaalsContact C-N 3.27Å; H1050-R1052 PolarHBondContact O-N 2.9Å; H1050-R1052 VanDerWaalsContact O-N 3.11Å
1053	F	85.9	Confident	81.7	Confident	10 Å²	10	62.7 Å²	62.7	4%	0.044	31%	0.308	C	S	.	.	H	α-helix	trans	-73	-31.6	178	-176.2	-111.2	0	0	0	112	V933 F934 A937 L945 L1047 H1050 A1055 E1056 L1057	V933-F1053 HydrophobicContact CG1-CE2 4.48Å; V933-F1053 WeakPolarHBondContact O-CE2 3.35Å; F934-F1053 HydrophobicContact CD1-CE1 4.39Å; F934-F1053 HydrophobicContact CD1-CE2 4.35Å; F934-F1053 AromaticContact CD1-CZ 3.61Å; F934-F1053 HydrophobicContact CD1-CZ 3.61Å; F934-F1053 HydrophobicContact CE1-CE1 4.24Å; F934-F1053 AromaticContact CE1-CZ 3.7Å; F934-F1053 HydrophobicContact CE1-CZ 3.7Å; A937-F1053 HydrophobicContact CB-CD2 3.87Å; A937-F1053 HydrophobicContact CB-CE2 3.89Å; A937-F1053 HydrophobicContact CB-CG 4.31Å; A937-F1053 HydrophobicContact CB-CZ 4.34Å; L945-F1053 HydrophobicContact CD1-CD1 4.4Å; L945-F1053 HydrophobicContact CD1-CE1 3.72Å; L945-F1053 HydrophobicContact CD1-CZ 4.39Å; L1047-F1053 HydrophobicContact CD2-CD1 3.67Å; L1047-F1053 HydrophobicContact CD2-CE1 3.99Å; H1050-F1053 HydrophobicContact CB-CB 4.29Å; H1050-F1053 PolarHBondContact O-N 3.04Å; F1053-A1055 VanDerWaalsContact C-N 3.32Å; F1053-A1055 PolarHBondContact O-N 2.64Å; F1053-E1056 PolarHBondContact O-N 3.35Å; F1053-L1057 HydrophobicContact CE1-CB 4.12Å; F1053-L1057 HydrophobicContact CE1-CD2 3.95Å; F1053-L1057 HydrophobicContact CE1-CG 4.48Å; F1053-L1057 HydrophobicContact CZ-CB 4.08Å; F1053-L1057 HydrophobicContact CZ-CD1 4.29Å; F1053-L1057 HydrophobicContact CZ-CD2 4.35Å; F1053-L1057 HydrophobicContact CZ-CG 4.47Å; F1053-L1057 WeakPolarHBondContact O-CB 3.44Å; F1053-L1057 PolarHBondContact O-N 2.86Å
1054	K	84.7	Confident	80.5	Confident	48 Å²	48	65.3 Å²	65.3	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-53.2	-46.8	171.6	-174.3	174.9	-178.8	-174.7	0	112.4	D1003 L1047 N1048 H1050 P1051 K1058	D1003-K1054 IonicContact OD1-NZ 2.62Å; L1047-K1054 HydrophobicContact CB-CB 3.93Å; L1047-K1054 HydrophobicContact CB-CD 4.13Å; L1047-K1054 HydrophobicContact CB-CG 3.89Å; L1047-K1054 HydrophobicContact CD1-CG 4.49Å; N1048-K1054 PolarHBondContact OD1-NZ 2.95Å; H1050-K1054 PolarHBondContact O-N 2.71Å; P1051-K1054 PolarHBondContact O-N 3.35Å; K1054-K1058 WeakPolarHBondContact O-CB 3.46Å; K1054-K1058 PolarHBondContact O-N 3.31Å
1055	A	80.9	Confident	79.7	Confident	63 Å²	63	65 Å²	65	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-43.6	178.6	0	0	0	0	0	112.1	P1051 F1053 S1059	P1051-A1055 PolarHBondContact O-N 3.06Å; F1053-A1055 VanDerWaalsContact C-N 3.32Å; F1053-A1055 PolarHBondContact O-N 2.64Å; A1055-S1059 WeakPolarHBondContact O-CB 3.45Å; A1055-S1059 PolarHBondContact O-N 2.77Å; A1055-S1059 PolarHBondContact O-OG 3.47Å
1056	E	82	Confident	78.7	Confident	63 Å²	63	61.7 Å²	61.7	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-45.6	-178.7	-62.6	-167.9	125.5	0	0	112.3	K936 F1053 K1058 S1059 Y1060	K936-E1056 VanDerWaalsContact CD-CD 3.44Å; K936-E1056 WeakPolarHBondContact CD-OE1 3.48Å; K936-E1056 WeakPolarHBondContact CD-OE2 3.43Å; K936-E1056 WeakPolarHBondContact CE-OE1 3.45Å; K936-E1056 IonicContact NZ-OE1 2.78Å; K936-E1056 PolarHBondContact NZ-OE1 3.31Å; F1053-E1056 PolarHBondContact O-N 3.35Å; E1056-K1058 PolarHBondContact O-N 3.43Å; E1056-S1059 PolarHBondContact O-N 3.28Å; E1056-S1059 PolarHBondContact O-OG 3.3Å; E1056-Y1060 PolarHBondContact O-N 2.96Å
1057	L	83.4	Confident	77.9	Confident	9 Å²	9	63.3 Å²	63.3	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-63.4	-40	174.9	-174.4	65.1	0	0	0	111.9	V933 L1043 L1047 F1053 Y1060 L1061	V933-L1057 HydrophobicContact CG1-CD1 3.89Å; L1043-L1057 HydrophobicContact CD1-CD2 4.27Å; L1047-L1057 HydrophobicContact CD1-CD2 3.92Å; L1047-L1057 HydrophobicContact CD2-CD2 3.77Å; L1047-L1057 HydrophobicContact CG-CD2 4.42Å; F1053-L1057 HydrophobicContact CE1-CB 4.12Å; F1053-L1057 HydrophobicContact CE1-CD2 3.95Å; F1053-L1057 HydrophobicContact CE1-CG 4.48Å; F1053-L1057 HydrophobicContact CZ-CB 4.08Å; F1053-L1057 HydrophobicContact CZ-CD1 4.29Å; F1053-L1057 HydrophobicContact CZ-CD2 4.35Å; F1053-L1057 HydrophobicContact CZ-CG 4.47Å; F1053-L1057 WeakPolarHBondContact O-CB 3.44Å; F1053-L1057 PolarHBondContact O-N 2.86Å; L1057-Y1060 PolarHBondContact O-N 3.2Å; L1057-L1061 HydrophobicContact CD1-CD1 4.2Å; L1057-L1061 HydrophobicContact CD1-CG 4.31Å; L1057-L1061 HydrophobicContact CG-CD1 3.95Å; L1057-L1061 HydrophobicContact CG-CG 4.45Å; L1057-L1061 WeakPolarHBondContact O-CB 3.45Å; L1057-L1061 WeakPolarHBondContact O-CG 3.36Å; L1057-L1061 PolarHBondContact O-N 2.99Å
1058	K	79.1	Confident	77.4	Confident	44 Å²	44	64.2 Å²	64.2	19%	0.191	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-46.7	172.7	178.5	160.4	179.8	166.8	0	110.6	F999 D1003 K1054 E1056 Y1060 L1061 Y1062	F999-K1058 HydrophobicContact CE1-CD 4Å; F999-K1058 HydrophobicContact CE1-CG 3.86Å; F999-K1058 HydrophobicContact CZ-CB 3.91Å; F999-K1058 HydrophobicContact CZ-CD 3.96Å; F999-K1058 HydrophobicContact CZ-CG 3.65Å; D1003-K1058 IonicContact OD2-NZ 2.74Å; D1003-K1058 PolarHBondContact OD2-NZ 2.8Å; K1054-K1058 WeakPolarHBondContact O-CB 3.46Å; K1054-K1058 PolarHBondContact O-N 3.31Å; E1056-K1058 PolarHBondContact O-N 3.43Å; K1058-Y1060 PolarHBondContact O-N 2.92Å; K1058-L1061 PolarHBondContact O-N 3.26Å; K1058-Y1062 HydrophobicContact CD-CE2 4.12Å; K1058-Y1062 VanDerWaalsContact CE-CE2 3.46Å; K1058-Y1062 WeakPolarHBondContact CE-OH 3.37Å; K1058-Y1062 HydrophobicContact CG-CD2 3.95Å; K1058-Y1062 HydrophobicContact CG-CE2 3.5Å; K1058-Y1062 WeakPolarHBondContact O-CD2 3.36Å; K1058-Y1062 PolarHBondContact O-N 2.98Å; K1058-Y1062 VanDerWaalsContact O-N 3.16Å
1059	S	77.4	Confident	76.9	Confident	68 Å²	68	60.1 Å²	60.1	48%	0.476	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-39.8	177.3	70.5	0	0	0	0	113.3	A1055 E1056 Y1062 E1063	A1055-S1059 WeakPolarHBondContact O-CB 3.45Å; A1055-S1059 PolarHBondContact O-N 2.77Å; A1055-S1059 PolarHBondContact O-OG 3.47Å; E1056-S1059 PolarHBondContact O-N 3.28Å; E1056-S1059 PolarHBondContact O-OG 3.3Å; S1059-Y1062 PolarHBondContact O-N 3.26Å; S1059-E1063 PolarHBondContact O-N 3.38Å
1060	Y	77.2	Confident	76.1	Confident	54 Å²	54	57 Å²	57	21%	0.212	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-46	177.2	179.9	-98.1	0	0	0	112.2	V933 E1056 L1057 K1058 Y1062 E1063 D1064	V933-Y1060 HydrophobicContact CB-CD1 4.37Å; V933-Y1060 HydrophobicContact CB-CG 4.28Å; V933-Y1060 HydrophobicContact CG1-CD1 4.03Å; V933-Y1060 HydrophobicContact CG1-CD2 4.31Å; V933-Y1060 HydrophobicContact CG1-CG 3.71Å; V933-Y1060 HydrophobicContact CG2-CD1 3.41Å; V933-Y1060 VanDerWaalsContact CG2-CD1 3.41Å; V933-Y1060 HydrophobicContact CG2-CD2 3.73Å; V933-Y1060 HydrophobicContact CG2-CE1 3.44Å; V933-Y1060 VanDerWaalsContact CG2-CE1 3.44Å; V933-Y1060 HydrophobicContact CG2-CE2 3.77Å; V933-Y1060 HydrophobicContact CG2-CG 3.55Å; E1056-Y1060 PolarHBondContact O-N 2.96Å; L1057-Y1060 PolarHBondContact O-N 3.2Å; K1058-Y1060 PolarHBondContact O-N 2.92Å; Y1060-Y1062 VanDerWaalsContact C-N 3.29Å; Y1060-Y1062 PolarHBondContact O-N 3.1Å; Y1060-E1063 PolarHBondContact O-N 3.46Å; Y1060-D1064 HydrophobicContact CD2-CB 4.33Å; Y1060-D1064 HydrophobicContact CE1-CB 4.08Å; Y1060-D1064 HydrophobicContact CE2-CB 3.78Å; Y1060-D1064 WeakPolarHBondContact CE2-OD2 3.45Å; Y1060-D1064 PolarHBondContact O-N 3.36Å; Y1060-D1064 PolarHBondContact OH-OD2 2.89Å
1061	L	76.2	Confident	74.7	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-30.2	179.5	-69.3	170.1	0	0	0	112.2	L970 W995 F999 L1057 K1058 E1063 L1065	L970-L1061 HydrophobicContact CD2-CD1 4.18Å; L970-L1061 HydrophobicContact CD2-CD2 4.46Å; W995-L1061 HydrophobicContact CD2-CD2 4.47Å; F999-L1061 HydrophobicContact CD2-CB 4.34Å; F999-L1061 HydrophobicContact CD2-CD1 3.8Å; F999-L1061 HydrophobicContact CE2-CB 4.46Å; F999-L1061 HydrophobicContact CE2-CD1 3.73Å; L1057-L1061 HydrophobicContact CD1-CD1 4.2Å; L1057-L1061 HydrophobicContact CD1-CG 4.31Å; L1057-L1061 HydrophobicContact CG-CD1 3.95Å; L1057-L1061 HydrophobicContact CG-CG 4.45Å; L1057-L1061 WeakPolarHBondContact O-CB 3.45Å; L1057-L1061 WeakPolarHBondContact O-CG 3.36Å; L1057-L1061 PolarHBondContact O-N 2.99Å; K1058-L1061 PolarHBondContact O-N 3.26Å; L1061-E1063 VanDerWaalsContact C-N 3.34Å; L1061-E1063 PolarHBondContact O-N 2.84Å; L1061-L1065 WeakPolarHBondContact O-CB 3.47Å; L1061-L1065 PolarHBondContact O-N 3.37Å; L1061-L1065 VanDerWaalsContact O-N 3.15Å
1062	Y	69.6	Low	72.8	Confident	120 Å²	120	59.9 Å²	59.9	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-72.8	-18.8	170.4	-73.7	-63.1	0	0	0	114.9	F999 E1001 K1058 S1059 Y1060	F999-Y1062 HydrophobicContact CE1-CE2 4.28Å; E1001-Y1062 WeakPolarHBondContact OE1-CE1 3.4Å; E1001-Y1062 PolarHBondContact OE1-OH 3.02Å; K1058-Y1062 HydrophobicContact CD-CE2 4.12Å; K1058-Y1062 VanDerWaalsContact CE-CE2 3.46Å; K1058-Y1062 WeakPolarHBondContact CE-OH 3.37Å; K1058-Y1062 HydrophobicContact CG-CD2 3.95Å; K1058-Y1062 HydrophobicContact CG-CE2 3.5Å; K1058-Y1062 WeakPolarHBondContact O-CD2 3.36Å; K1058-Y1062 PolarHBondContact O-N 2.98Å; K1058-Y1062 VanDerWaalsContact O-N 3.16Å; S1059-Y1062 PolarHBondContact O-N 3.26Å; Y1060-Y1062 VanDerWaalsContact C-N 3.29Å; Y1060-Y1062 PolarHBondContact O-N 3.1Å
1063	E	65.6	Low	70.8	Confident	93 Å²	93	53.9 Å²	53.9	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-98.9	-33.2	179.6	-67.1	-152.9	126.2	0	0	113.8	S55 S1059 Y1060 L1061	S55-E1063 WeakPolarHBondContact CB-O 3.36Å; S55-E1063 PolarHBondContact OG-O 3.4Å; S1059-E1063 PolarHBondContact O-N 3.38Å; Y1060-E1063 PolarHBondContact O-N 3.46Å; L1061-E1063 VanDerWaalsContact C-N 3.34Å; L1061-E1063 PolarHBondContact O-N 2.84Å
1064	D	62.9	Low	68.4	Low	68 Å²	68	61.1 Å²	61.1	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-128.9	11.5	-168.7	-82.4	-12.7	0	0	0	114.6	Y1060 S1066	Y1060-D1064 HydrophobicContact CD2-CB 4.33Å; Y1060-D1064 HydrophobicContact CE1-CB 4.08Å; Y1060-D1064 HydrophobicContact CE2-CB 3.78Å; Y1060-D1064 WeakPolarHBondContact CE2-OD2 3.45Å; Y1060-D1064 PolarHBondContact O-N 3.36Å; Y1060-D1064 PolarHBondContact OH-OD2 2.89Å; D1064-S1066 PolarHBondContact O-N 2.92Å
1065	L	65.8	Low	65.7	Low	21 Å²	21	66 Å²	66	11%	0.11	36%	0.355	C	S	.	.			trans	-66.8	114.7	166.3	176.5	66.5	0	0	0	109.5	L970 W995 L1061 F1067 N1068	L970-L1065 HydrophobicContact CD1-CD1 4.46Å; W995-L1065 HydrophobicContact CB-CD1 3.9Å; W995-L1065 WeakPolarHBondContact O-CD1 3.48Å; L1061-L1065 WeakPolarHBondContact O-CB 3.47Å; L1061-L1065 PolarHBondContact O-N 3.37Å; L1061-L1065 VanDerWaalsContact O-N 3.15Å; L1065-F1067 PolarHBondContact O-N 3.34Å; L1065-N1068 HydrophobicContact CD2-CB 3.81Å
1066	S	65.1	Low	63.3	Low	32 Å²	32	73.8 Å²	73.8	22%	0.224	37%	0.372	C	S	.	.	S	Bend	trans	-70.2	-33.4	-171.2	-47.8	0	0	0	0	113.5	D994 W995 D1064	D994-S1066 VanDerWaalsContact CA-OG 3.32Å; D994-S1066 WeakPolarHBondContact CA-OG 3.48Å; D994-S1066 VanDerWaalsContact CB-OG 3.28Å; D994-S1066 WeakPolarHBondContact CB-OG 3.32Å; D994-S1066 VanDerWaalsContact CG-OG 3.26Å; D994-S1066 VanDerWaalsContact OD1-CB 3.23Å; D994-S1066 WeakPolarHBondContact OD1-CB 3.15Å; D994-S1066 PolarHBondContact OD1-OG 2.97Å; W995-S1066 PolarHBondContact N-OG 2.82Å; W995-S1066 WeakPolarHBondContact O-CB 3.39Å; W995-S1066 PolarHBondContact O-N 2.83Å; W995-S1066 VanDerWaalsContact O-N 3.07Å; D1064-S1066 PolarHBondContact O-N 2.92Å
1067	F	70.1	Confident	60.8	Low	41 Å²	41	79 Å²	79	18%	0.18	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	126.8	169.3	-163.8	-96.8	0	0	0	112.8	V980 V987 A988 L990 W995 F996 G997 L1065 I1069	V980-F1067 HydrophobicContact CG1-CD1 4.02Å; V980-F1067 HydrophobicContact CG1-CE1 3.65Å; V980-F1067 HydrophobicContact CG1-CZ 4.08Å; V980-F1067 HydrophobicContact CG2-CD1 4.43Å; V987-F1067 HydrophobicContact CG1-CE2 3.83Å; V987-F1067 HydrophobicContact CG1-CZ 3.96Å; A988-F1067 HydrophobicContact CB-CD2 3.6Å; A988-F1067 HydrophobicContact CB-CE2 3.94Å; A988-F1067 HydrophobicContact CB-CG 4.24Å; L990-F1067 HydrophobicContact CD2-CB 4.01Å; W995-F1067 PolarHBondContact O-N 3.35Å; F996-F1067 WeakPolarHBondContact CA-O 3.27Å; G997-F1067 PolarHBondContact N-O 2.99Å; L1065-F1067 PolarHBondContact O-N 3.34Å; F1067-I1069 HydrophobicContact CD1-CG1 4.14Å
1068	N	75.5	Confident	58.1	Low	32 Å²	32	82.9 Å²	82.9	17%	0.171	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.6	173.5	-177.8	2.5	0	0	0	109.9	L1065 Q1070 E1071	L1065-N1068 HydrophobicContact CD2-CB 3.81Å; N1068-Q1070 PolarHBondContact O-N 3.43Å; N1068-Q1070 VanDerWaalsContact O-N 3.1Å; N1068-Q1070 PolarHBondContact OD1-N 2.73Å; N1068-E1071 HydrophobicContact CB-CB 4.14Å; N1068-E1071 HydrophobicContact CB-CG 4.22Å; N1068-E1071 WeakPolarHBondContact CB-OE1 3.24Å; N1068-E1071 PolarHBondContact ND2-OE1 3.35Å; N1068-E1071 PolarHBondContact O-N 3.18Å
1069	I	74.9	Confident	55.6	Low	1 Å²	1	88.2 Å²	88.2	1%	0.005	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.6	-173	-44.7	170	0	0	0	111.9	I961 L967 F996 G997 R1024 C1025 V1027 F1067	I961-I1069 HydrophobicContact CD1-CD1 3.69Å; L967-I1069 HydrophobicContact CD1-CB 3.77Å; L967-I1069 HydrophobicContact CD1-CD1 4.19Å; L967-I1069 HydrophobicContact CD1-CG2 4.08Å; L967-I1069 HydrophobicContact CD2-CD1 4.11Å; F996-I1069 HydrophobicContact CD2-CD1 4.17Å; G997-I1069 WeakPolarHBondContact O-CG1 3.42Å; G997-I1069 PolarHBondContact O-N 2.88Å; R1024-I1069 VanDerWaalsContact CB-O 3.22Å; R1024-I1069 WeakPolarHBondContact CB-O 3.14Å; R1024-I1069 PolarHBondContact N-O 3.5Å; R1024-I1069 VanDerWaalsContact N-O 3.16Å; C1025-I1069 HydrophobicContact CB-CG2 4.34Å; V1027-I1069 HydrophobicContact CG2-CD1 4.31Å; F1067-I1069 HydrophobicContact CD1-CG1 4.14Å
1070	Q	68.4	Low	53.5	Low	67 Å²	67	93 Å²	93	31%	0.313	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-1.2	176.5	-158.2	-172.9	-16.9	0	0	113.5	A998 I1021 N1068 G1072 V1073	A998-Q1070 HydrophobicContact CB-CB 4.47Å; I1021-Q1070 HydrophobicContact CG2-CB 4.29Å; I1021-Q1070 HydrophobicContact CG2-CG 4.04Å; N1068-Q1070 PolarHBondContact O-N 3.43Å; N1068-Q1070 VanDerWaalsContact O-N 3.1Å; N1068-Q1070 PolarHBondContact OD1-N 2.73Å; Q1070-G1072 PolarHBondContact O-N 3.11Å; Q1070-V1073 HydrophobicContact CG-CG2 4.18Å; Q1070-V1073 WeakPolarHBondContact O-CG2 3.31Å; Q1070-V1073 PolarHBondContact O-N 2.96Å
1071	E	58.2	Low	51.2	Low	131 Å²	131	96.5 Å²	96.5	61%	0.612	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	138.9	-172.1	-121.9	154.6	-116.9	0	0	112.8	N1068	N1068-E1071 HydrophobicContact CB-CB 4.14Å; N1068-E1071 HydrophobicContact CB-CG 4.22Å; N1068-E1071 WeakPolarHBondContact CB-OE1 3.24Å; N1068-E1071 PolarHBondContact ND2-OE1 3.35Å; N1068-E1071 PolarHBondContact O-N 3.18Å
1072	G	44.6	Very low	48.9	Very low	60 Å²	60	103.4 Å²	103.4	62%	0.619	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	10.8	-174.2	0	0	0	0	0	116.2	Q1070 E1074	Q1070-G1072 PolarHBondContact O-N 3.11Å; G1072-E1074 PolarHBondContact O-N 3.48Å
1073	V	39.7	Very low	47	Very low	101 Å²	101	103.8 Å²	103.8	61%	0.612	56%	0.557	S	S	*	*			trans	-88.3	73.7	168.1	-175.3	0	0	0	0	110.4	Q1070	Q1070-V1073 HydrophobicContact CG-CG2 4.18Å; Q1070-V1073 WeakPolarHBondContact O-CG2 3.31Å; Q1070-V1073 PolarHBondContact O-N 2.96Å
1074	E	35.3	Very low	45.4	Very low	162 Å²	162	104.2 Å²	104.2	76%	0.757	57%	0.566	S	S	*	*			trans	-99.5	119.2	168.1	-70.8	-169.2	163.8	0	0	110.9	G1072 Y1076	G1072-E1074 PolarHBondContact O-N 3.48Å; E1074-Y1076 PolarHBondContact O-N 3.45Å
1075	N	28.8	Very low	43.7	Very low	150 Å²	150	106 Å²	106	80%	0.802	58%	0.581	S	S	*	*	S	Bend	trans	55.5	50.1	157.3	-60.2	-29.6	0	0	0	119.1
1076	Y	29.8	Very low	42	Very low	227 Å²	227	109.4 Å²	109.4	89%	0.89	61%	0.612	S	S	*	*			trans	-111.1	73.6	153	-76	-87	0	0	0	110.4	E1074	E1074-Y1076 PolarHBondContact O-N 3.45Å
1077	L	28.7	Very low	40.5	Very low	171 Å²	171	114 Å²	114	90%	0.895	63%	0.633	S	S	*	*			trans	-127.6	54.4	174.7	-146.4	164.7	0	0	0	109.6
1078	S	28.3	Very low	38.6	Very low	91 Å²	91	118.3 Å²	118.3	64%	0.636	66%	0.663	S	S	*	*	S	Bend	trans	-151.5	114	173.6	57.9	0	0	0	0	109.1
1079	N	26.2	Very low	36.3	Very low	157 Å²	157	123.4 Å²	123.4	84%	0.84	69%	0.689	S	S	*	*			trans	55.4	89.5	167.3	-52.6	-6.7	0	0	0	116.5
1080	D	32.1	Very low	34.1	Very low	168 Å²	168	132.9 Å²	132.9	90%	0.898	73%	0.733	S	S	*	*			trans	-153.6	153.8	130.7	-106.9	-33.1	0	0	0	110.8
1081	V	30.2	Very low	32.2	Very low	128 Å²	128	135.3 Å²	135.3	78%	0.776	75%	0.748	S	S	*	*			trans	-79.5	139.3	-162.5	177.3	0	0	0	0	112.9	T1083	V1081-T1083 PolarHBondContact O-N 2.9Å; V1081-T1083 VanDerWaalsContact O-N 3.1Å
1082	I	27.6	Very low	30.9	Very low	150 Å²	150	134.2 Å²	134.2	77%	0.769	76%	0.761	S	S	*	*			trans	-62.6	110.1	178.3	-59.9	168.8	0	0	0	110.2	V1084	I1082-V1084 HydrophobicContact CG2-CG2 3.87Å
1083	T	29.1	Very low	30.1	Very low	129 Å²	129	136.2 Å²	136.2	79%	0.791	76%	0.758	S	S	*	*			trans	-123.7	128.4	163	48.5	0	0	0	0	108.6	V1081	V1081-T1083 PolarHBondContact O-N 2.9Å; V1081-T1083 VanDerWaalsContact O-N 3.1Å
1084	V	31.4	Very low	29.8	Very low	102 Å²	102	139.4 Å²	139.4	62%	0.618	77%	0.771	S	S	*	*			trans	-119.5	117.7	-172.9	-179.4	0	0	0	0	109.6	I1082 A1086	I1082-V1084 HydrophobicContact CG2-CG2 3.87Å; V1084-A1086 PolarHBondContact O-N 3.31Å
1085	P	28.1	Very low	29.7	Very low	106 Å²	106	137.2 Å²	137.2	69%	0.688	76%	0.761	S	S	*	*			trans	-69.6	120.5	171.4	28	-32.2	0	0	0	109.8	I1087	P1085-I1087 PolarHBondContact O-N 3.43Å
1086	A	30.5	Very low	29.9	Very low	91 Å²	91	135.7 Å²	135.7	75%	0.752	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	27.2	-160.7	0	0	0	0	0	116.7	V1084	V1084-A1086 PolarHBondContact O-N 3.31Å
1087	I	32.3	Very low	30	Very low	130 Å²	130	127.3 Å²	127.3	67%	0.667	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-9.4	-161.5	-64.8	178.1	0	0	0	114.4	P1085 F1119	P1085-I1087 PolarHBondContact O-N 3.43Å; I1087-F1119 HydrophobicContact CD1-CZ 3.95Å
1088	T	30.4	Very low	30	Very low	131 Å²	131	129 Å²	129	80%	0.804	71%	0.712	S	S	*	*	S	Bend	trans	-113.1	22.2	178.5	37.2	0	0	0	0	115.1
1089	L	27.9	Very low	30	Very low	139 Å²	139	133.7 Å²	133.7	73%	0.728	73%	0.725	S	S	*	*			trans	-115.8	72.1	167.7	-79	171.3	0	0	0	111.3	L1091	L1089-L1091 HydrophobicContact CB-CD1 4.42Å; L1089-L1091 PolarHBondContact O-N 3.45Å
1090	Q	28.9	Very low	30	Very low	199 Å²	199	130.1 Å²	130.1	93%	0.93	72%	0.724	S	S	*	*			trans	-81.6	104.7	147.9	-81.5	-167.4	-24.4	0	0	107.6
1091	L	29.2	Very low	29.8	Very low	119 Å²	119	127.4 Å²	127.4	62%	0.623	72%	0.719	S	S	*	*			trans	-66.6	140.1	174.4	-67.3	82.3	0	0	0	109.3	L1089 N1093	L1089-L1091 HydrophobicContact CB-CD1 4.42Å; L1089-L1091 PolarHBondContact O-N 3.45Å; L1091-N1093 WeakPolarHBondContact CB-OD1 3.16Å; L1091-N1093 WeakPolarHBondContact CD2-OD1 3.28Å; L1091-N1093 PolarHBondContact O-N 3.1Å
1092	A	29.1	Very low	29.6	Very low	108 Å²	108	130.5 Å²	130.5	89%	0.893	73%	0.725	S	S	*	*			trans	-75.7	71.7	161.4	0	0	0	0	0	109	D1094	A1092-D1094 PolarHBondContact O-N 2.88Å; A1092-D1094 VanDerWaalsContact O-N 3.08Å
1093	N	28.8	Very low	29.7	Very low	102 Å²	102	129.7 Å²	129.7	55%	0.545	73%	0.727	S	S	.	*			trans	-76.9	87.2	173.8	-84.9	19.1	0	0	0	110.1	L1091	L1091-N1093 WeakPolarHBondContact CB-OD1 3.16Å; L1091-N1093 WeakPolarHBondContact CD2-OD1 3.28Å; L1091-N1093 PolarHBondContact O-N 3.1Å
1094	D	33.7	Very low	29.5	Very low	168 Å²	168	132.7 Å²	132.7	90%	0.898	73%	0.729	S	S	*	*			trans	-105.9	80.7	140.5	-84.4	-52.6	0	0	0	106.4	A1092	A1092-D1094 PolarHBondContact O-N 2.88Å; A1092-D1094 VanDerWaalsContact O-N 3.08Å
1095	E	31.9	Very low	29.3	Very low	116 Å²	116	135.9 Å²	135.9	54%	0.542	74%	0.742	S	S	.	*			trans	-56.8	149	173.3	-58.4	169.6	92.3	0	0	110.4	N1390	E1095-N1390 PolarHBondContact OE1-ND2 3.43Å
1096	K	33.1	Very low	29.4	Very low	117 Å²	117	138.2 Å²	138.2	51%	0.509	75%	0.748	S	S	.	*			trans	-168.5	170.2	143.6	-83.2	-133	162.5	-140	0	107.8	P1389 T1391 S1392	K1096-P1389 PolarHBondContact NZ-O 3Å; K1096-T1391 VanDerWaalsContact CB-C 3.46Å; K1096-T1391 VanDerWaalsContact CB-N 3.27Å; K1096-T1391 VanDerWaalsContact CD-N 3.26Å; K1096-T1391 WeakPolarHBondContact CD-O 3.36Å; K1096-T1391 PolarHBondContact NZ-OG1 3.34Å; K1096-S1392 VanDerWaalsContact C-CB 3.45Å; K1096-S1392 VanDerWaalsContact CB-CB 3.48Å
1097	D	32.9	Very low	29.2	Very low	51 Å²	51	139.4 Å²	139.4	27%	0.273	75%	0.746	S	S	.	*			trans	-43.9	149.5	-152.8	59.1	24.2	0	0	0	124.2	T1391 S1392	D1097-T1391 VanDerWaalsContact CG-CA 3.49Å; D1097-T1391 VanDerWaalsContact N-N 3.15Å; D1097-T1391 VanDerWaalsContact OD2-C 3.31Å; D1097-T1391 WeakPolarHBondContact OD2-CA 3.27Å; D1097-S1392 PolarHBondContact O-OG 3.42Å; D1097-S1392 WeakPolarHBondContact OD1-CA 3.5Å; D1097-S1392 WeakPolarHBondContact OD1-CB 3.48Å; D1097-S1392 PolarHBondContact OD1-N 3.1Å; D1097-S1392 PolarHBondContact OD1-OG 2.68Å; D1097-S1392 PolarHBondContact OD2-N 3.43Å
1098	W	29	Very low	29.2	Very low	206 Å²	206	140.5 Å²	140.5	78%	0.78	75%	0.752	S	S	*	*				-132.2	136.1	120.6	-84.8	85.6	0	0	0	108.6	V1394	W1098-V1394 HydrophobicContact CD2-CG1 4.09Å; W1098-V1394 VanDerWaalsContact CE2-CG1 3.47Å; W1098-V1394 HydrophobicContact CH2-CG1 4Å; W1098-V1394 HydrophobicContact CZ2-CG1 3.43Å; W1098-V1394 VanDerWaalsContact CZ2-CG1 3.43Å
1099	E	27.2	Very low	29	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	75%	0.747	S	S	*	*			trans	-131	148.9	159.1	-79.4	-165.7	153.2	0	0	109
1100	G	26.8	Very low	29.2	Very low	81 Å²	81	141 Å²	141	84%	0.835	75%	0.75	S	S	*	*			trans	118.8	34	162.8	0	0	0	0	0	119.9
1101	S	28.4	Very low	29.4	Very low	111 Å²	111	138 Å²	138	78%	0.776	75%	0.745	S	S	*	*			trans	-159.7	107.2	149.6	62.9	0	0	0	0	113.2
1102	E	25.3	Very low	29.4	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	76%	0.761	S	S	*	*			trans	-71.4	134.8	169.6	-59	178.4	109.6	0	0	111.2
1103	T	30.1	Very low	29.4	Very low	133 Å²	133	141.7 Å²	141.7	82%	0.816	75%	0.752	S	S	*	*			trans	-158	76.9	153.4	-7	0	0	0	0	112.7
1104	K	24.9	Very low	29.4	Very low	193 Å²	193	144.4 Å²	144.4	84%	0.839	77%	0.765	S	S	*	*			trans	22	112.7	153	-60.1	175.6	179.9	177.9	0	118.3
1105	L	27.3	Very low	29.2	Very low	169 Å²	169	145.6 Å²	145.6	89%	0.885	76%	0.762	S	S	*	*				-150.7	152.7	128.6	-136.2	72.2	0	0	0	111.1
1106	N	29.9	Very low	29.2	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	77%	0.773	S	S	*	*			trans	-71.7	144.6	-155.1	-57.1	-15.5	0	0	0	115.1
1107	V	26.8	Very low	29.1	Very low	116 Å²	116	145.3 Å²	145.3	70%	0.703	78%	0.782	S	S	*	*			trans	-82.7	145.6	166.9	-179.5	0	0	0	0	110	N1109	V1107-N1109 VanDerWaalsContact CG1-OD1 3.25Å; V1107-N1109 WeakPolarHBondContact CG1-OD1 3.44Å
1108	I	30.8	Very low	28.8	Very low	153 Å²	153	152.4 Å²	152.4	79%	0.785	81%	0.811	S	S	*	*			trans	-113.4	121.9	157.8	-62.5	177.4	0	0	0	106.4
1109	N	27.3	Very low	29.1	Very low	133 Å²	133	149.8 Å²	149.8	71%	0.711	81%	0.805	S	S	*	*			trans	-88.6	129.3	179.1	-58.1	-35.4	0	0	0	109.2	V1107	V1107-N1109 VanDerWaalsContact CG1-OD1 3.25Å; V1107-N1109 WeakPolarHBondContact CG1-OD1 3.44Å
1110	D	31.8	Very low	29.2	Very low	147 Å²	147	147.3 Å²	147.3	79%	0.786	80%	0.803	S	S	*	*			trans	-172.1	34.6	163	-97.5	-28.8	0	0	0	113
1111	V	33.7	Very low	29.4	Very low	136 Å²	136	150.1 Å²	150.1	82%	0.824	79%	0.792	S	S	*	*			trans	-103.3	-3.7	-165.8	-172.6	0	0	0	0	114.5
1112	E	27.7	Very low	29.8	Very low	207 Å²	207	147.8 Å²	147.8	97%	0.967	77%	0.771	S	S	*	*	S	Bend	trans	-89.6	4.2	-171.3	-70.6	-169.2	121	0	0	116.3
1113	S	30.3	Very low	30.4	Very low	98 Å²	98	147 Å²	147	69%	0.685	77%	0.773	S	S	*	*	S	Bend	trans	-97.8	-19.8	-171.5	56.4	0	0	0	0	116.2
1114	L	28.7	Very low	30.8	Very low	159 Å²	159	148.6 Å²	148.6	83%	0.832	77%	0.769	S	S	*	*			trans	-100.7	103.1	-164.6	-76.4	161	0	0	0	114.2
1115	K	30.2	Very low	31.3	Very low	193 Å²	193	141.9 Å²	141.9	84%	0.839	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.9	145.3	169.4	-73.9	170.3	-178.4	160.3	0	111.4
1116	P	31.3	Very low	31.7	Very low	116 Å²	116	141.7 Å²	141.7	75%	0.753	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-67.3	143.2	-179.3	27.4	-35	0	0	0	112.4
1117	P	30.1	Very low	31.8	Very low	110 Å²	110	139.9 Å²	139.9	71%	0.714	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-69.4	142.4	-177.9	28.3	-35.1	0	0	0	112.3
1118	K	28	Very low	32	Very low	200 Å²	200	139.5 Å²	139.5	87%	0.87	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-83.7	120.8	171.3	-72.3	-179.6	178.1	175.9	0	110.2	V1120	K1118-V1120 PolarHBondContact O-N 3.38Å
1119	F	34.4	Very low	32.1	Very low	151 Å²	151	137.4 Å²	137.4	66%	0.662	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-71.1	125.2	170.2	-69.2	-83.5	0	0	0	111	I1087 F1121	I1087-F1119 HydrophobicContact CD1-CZ 3.95Å; F1119-F1121 HydrophobicContact CB-CE2 4.5Å
1120	V	28.8	Very low	32.3	Very low	139 Å²	139	138.7 Å²	138.7	84%	0.842	75%	0.748	S	S	*	*			trans	-106.3	120.2	167.9	-179.2	0	0	0	0	107.5	K1118	K1118-V1120 PolarHBondContact O-N 3.38Å
1121	F	32.2	Very low	32.4	Very low	141 Å²	141	137.1 Å²	137.1	62%	0.618	74%	0.744	S	S	*	*			trans	-85.6	144.7	176.5	-68.8	-84.8	0	0	0	110.8	F1119	F1119-F1121 HydrophobicContact CB-CE2 4.5Å
1122	D	36.5	Very low	32.4	Very low	62 Å²	62	136.2 Å²	136.2	33%	0.332	74%	0.738	S	S	.	*			trans	-73.8	162.1	165.5	93.5	-29.5	0	0	0	111.1	K1124 G1125 R1126	D1122-K1124 PolarHBondContact O-N 2.87Å; D1122-K1124 WeakPolarHBondContact OD1-CA 3.3Å; D1122-K1124 PolarHBondContact OD1-N 3.49Å; D1122-G1125 PolarHBondContact O-N 3.26Å; D1122-G1125 VanDerWaalsContact O-N 3.15Å; D1122-G1125 PolarHBondContact OD1-N 2.96Å; D1122-R1126 PolarHBondContact OD1-N 3.15Å
1123	N	38.3	Very low	32.7	Very low	177 Å²	177	133.5 Å²	133.5	95%	0.947	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	13.7	177.8	-72.4	-23.9	0	0	0	113.9
1124	K	38.7	Very low	33.1	Very low	165 Å²	165	132 Å²	132	72%	0.717	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	6.1	177.8	-59.7	176.6	-179.5	171.8	0	112.7	D1122 R1126	D1122-K1124 PolarHBondContact O-N 2.87Å; D1122-K1124 WeakPolarHBondContact OD1-CA 3.3Å; D1122-K1124 PolarHBondContact OD1-N 3.49Å; K1124-R1126 HydrophobicContact CB-CG 4.4Å
1125	G	33.7	Very low	33.5	Very low	52 Å²	52	132.8 Å²	132.8	54%	0.536	70%	0.704	S	S	.	*			trans	71.8	27.8	176.1	0	0	0	0	0	114.7	D1122	D1122-G1125 PolarHBondContact O-N 3.26Å; D1122-G1125 VanDerWaalsContact O-N 3.15Å; D1122-G1125 PolarHBondContact OD1-N 2.96Å
1126	R	36.9	Very low	34	Very low	166 Å²	166	132.7 Å²	132.7	63%	0.626	71%	0.706	S	S	*	*			trans	-98.4	134.1	-179.6	-59.4	179.3	179.1	-155.4	-3.9	111.2	D1122 K1124 C1128	D1122-R1126 PolarHBondContact OD1-N 3.15Å; K1124-R1126 HydrophobicContact CB-CG 4.4Å; R1126-C1128 PolarHBondContact O-N 3.04Å
1127	S	31.5	Very low	34.8	Very low	117 Å²	117	129.7 Å²	129.7	82%	0.818	69%	0.689	S	S	*	*			trans	-85.2	101.2	167.5	48.7	0	0	0	0	109.8
1128	C	30.5	Very low	35	Very low	107 Å²	107	127.1 Å²	127.1	72%	0.723	68%	0.682	S	S	*	*			trans	-83	160.6	172.3	-68.9	0	0	0	0	111.8	R1126	R1126-C1128 PolarHBondContact O-N 3.04Å
1129	S	34.1	Very low	35.3	Very low	110 Å²	110	123.4 Å²	123.4	77%	0.769	67%	0.671	S	S	*	*			trans	-62.7	156.4	-173.3	50.7	0	0	0	0	114.6
1130	L	30.6	Very low	35.3	Very low	160 Å²	160	122.5 Å²	122.5	84%	0.838	67%	0.672	S	S	*	*			trans	-45.7	135.3	174.4	-104.5	67.7	0	0	0	113.1
1131	T	34	Very low	35.6	Very low	114 Å²	114	121.7 Å²	121.7	70%	0.699	66%	0.662	S	S	*	*			trans	-122.6	138.6	156.8	49.8	0	0	0	0	108.4
1132	T	34.1	Very low	35.6	Very low	117 Å²	117	119.6 Å²	119.6	72%	0.718	66%	0.662	S	S	*	*			trans	-110.7	139.6	176.8	46.4	0	0	0	0	109.6
1133	Y	33.1	Very low	35.2	Very low	149 Å²	149	127.2 Å²	127.2	58%	0.584	69%	0.688	S	S	*	*			trans	-87.7	139.1	174.3	-171.7	-109.5	0	0	0	109.1	E1135 L1140	Y1133-E1135 HydrophobicContact CD1-CG 3.93Å; Y1133-E1135 HydrophobicContact CE1-CG 4.01Å; Y1133-L1140 HydrophobicContact CD2-CD2 3.89Å
1134	D	39.5	Very low	34.9	Very low	67 Å²	67	122.5 Å²	122.5	36%	0.358	67%	0.673	S	S	.	*			trans	-111.4	120.7	174.8	170.9	25.8	0	0	0	108.9	E1136 S1137 G1138	D1134-E1136 PolarHBondContact OD1-N 2.88Å; D1134-S1137 WeakPolarHBondContact OD2-CB 3.38Å; D1134-S1137 PolarHBondContact OD2-N 2.56Å; D1134-S1137 PolarHBondContact OD2-OG 3.39Å; D1134-G1138 PolarHBondContact O-N 2.97Å
1135	E	36.3	Very low	34.6	Very low	175 Å²	175	121.6 Å²	121.6	82%	0.818	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-16.8	-176.1	-61.3	-166.9	146.4	0	0	112.7	Y1133	Y1133-E1135 HydrophobicContact CD1-CG 3.93Å; Y1133-E1135 HydrophobicContact CE1-CG 4.01Å
1136	E	41.8	Very low	34.2	Very low	191 Å²	191	125.5 Å²	125.5	89%	0.893	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-26.7	179.8	-64.6	-163.9	148.8	0	0	113.6	D1134	D1134-E1136 PolarHBondContact OD1-N 2.88Å
1137	S	46.8	Very low	33.9	Very low	54 Å²	54	129.5 Å²	129.5	38%	0.378	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.2	-15.1	-179.5	68.3	0	0	0	0	115.5	D1134 L1139	D1134-S1137 WeakPolarHBondContact OD2-CB 3.38Å; D1134-S1137 PolarHBondContact OD2-N 2.56Å; D1134-S1137 PolarHBondContact OD2-OG 3.39Å; S1137-L1139 PolarHBondContact O-N 3.24Å; S1137-L1139 VanDerWaalsContact O-N 3.12Å
1138	G	35.4	Very low	33.6	Very low	55 Å²	55	128.6 Å²	128.6	57%	0.567	69%	0.694	S	S	*	*			trans	64.4	12.3	178.9	0	0	0	0	0	115.2	D1134	D1134-G1138 PolarHBondContact O-N 2.97Å
1139	L	34.9	Very low	33.5	Very low	122 Å²	122	130.6 Å²	130.6	64%	0.639	70%	0.697	S	S	*	*			trans	-121.5	131.8	-171	-95.2	155.1	0	0	0	111.7	S1137 I1141	S1137-L1139 PolarHBondContact O-N 3.24Å; S1137-L1139 VanDerWaalsContact O-N 3.12Å; L1139-I1141 PolarHBondContact O-N 3.01Å; L1139-I1141 VanDerWaalsContact O-N 3.15Å
1140	L	34.6	Very low	33.4	Very low	133 Å²	133	131.2 Å²	131.2	70%	0.696	70%	0.702	S	S	*	*			trans	-77.5	96.9	173.1	-75.2	167.6	0	0	0	110.1	Y1133 P1142	Y1133-L1140 HydrophobicContact CD2-CD2 3.89Å; L1140-P1142 WeakPolarHBondContact O-CD 3.43Å
1141	I	33.3	Very low	33.1	Very low	122 Å²	122	132.5 Å²	132.5	63%	0.626	70%	0.703	S	S	*	*			trans	-86.4	114.7	178.6	-57.4	175.7	0	0	0	110.1	L1139	L1139-I1141 PolarHBondContact O-N 3.01Å; L1139-I1141 VanDerWaalsContact O-N 3.15Å
1142	P	32.4	Very low	32.7	Very low	96 Å²	96	134.6 Å²	134.6	62%	0.623	71%	0.709	S	S	*	*			trans	-76.3	140.9	171.3	32.1	-33.7	0	0	0	110.6	L1140 A1144	L1140-P1142 WeakPolarHBondContact O-CD 3.43Å; P1142-A1144 VanDerWaalsContact C-N 3.26Å; P1142-A1144 PolarHBondContact O-N 3.07Å
1143	Y	29.1	Very low	32.3	Very low	222 Å²	222	133.1 Å²	133.1	87%	0.871	71%	0.708	S	S	*	*			trans	-77.7	72.3	-179.8	-152	-83.9	0	0	0	111.9
1144	A	31.6	Very low	32	Very low	78 Å²	78	133 Å²	133	65%	0.645	72%	0.717	S	S	*	*			trans	-88.2	119.9	175.8	0	0	0	0	0	110.6	P1142	P1142-A1144 VanDerWaalsContact C-N 3.26Å; P1142-A1144 PolarHBondContact O-N 3.07Å
1145	N	31.5	Very low	31.5	Very low	147 Å²	147	135.6 Å²	135.6	79%	0.786	74%	0.735	S	S	*	*			trans	-110.7	73.5	179.2	-156.4	-5.1	0	0	0	110.4
1146	D	27.2	Very low	31.1	Very low	134 Å²	134	136.6 Å²	136.6	72%	0.717	74%	0.736	S	S	*	*			trans	-72.3	136.4	177.2	-91.9	-42.4	0	0	0	112.2
1147	R	30.5	Very low	30.7	Very low	250 Å²	250	132.4 Å²	132.4	94%	0.943	73%	0.726	S	S	*	*			trans	-170.4	96.1	147.4	-107.2	157.9	-166.8	-161	3.3	112.5
1148	S	25.2	Very low	29.9	Very low	97 Å²	97	137.4 Å²	137.4	68%	0.678	75%	0.748	S	S	*	*			trans	-119	169.5	153.4	55.6	0	0	0	0	109
1149	N	28.4	Very low	29.6	Very low	149 Å²	149	138.6 Å²	138.6	80%	0.797	75%	0.747	S	S	*	*			trans	72.7	100.4	177.5	-47.5	-20.9	0	0	0	116.4
1150	S	31.1	Very low	29.3	Very low	124 Å²	124	139.1 Å²	139.1	87%	0.867	76%	0.755	S	S	*	*				178.5	128.2	103.8	35.7	0	0	0	0	111.5
1151	E	23.8	Very low	28.9	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	76%	0.761	S	S	*	*			trans	-105.2	-179.3	160.5	-69.9	-168.9	120.1	0	0	109.3
1152	I	26.4	Very low	28.4	Very low	158 Å²	158	142.5 Å²	142.5	81%	0.81	76%	0.763	S	S	*	*			trans	79.1	90.6	168.1	-48.7	177.1	0	0	0	115.5
1153	A	24.8	Very low	28.2	Very low	86 Å²	86	147 Å²	147	71%	0.711	77%	0.773	S	S	*	*				43.3	141.3	129.4	0	0	0	0	0	120.6
1154	I	27	Very low	28	Very low	148 Å²	148	141.8 Å²	141.8	76%	0.759	77%	0.766	S	S	*	*				-168.9	148.1	81	-92.5	165.1	0	0	0	111.2
1155	T	30.4	Very low	27.6	Very low	120 Å²	120	144.1 Å²	144.1	74%	0.736	77%	0.773	S	S	*	*			trans	46	114.9	169.8	50.1	0	0	0	0	120.2
1156	K	27.4	Very low	27.4	Very low	196 Å²	196	144.2 Å²	144.2	85%	0.852	77%	0.772	S	S	*	*				50.5	151.4	75.8	-80.3	-167.6	178.6	178.9	0	115.9
1157	P	32.7	Very low	27.2	Very low	103 Å²	103	144 Å²	144	67%	0.669	78%	0.776	S	S	*	*			cis	-144.2	168.4	-32.1	38.8	-21.4	0	0	0	115.1
1158	L	30.2	Very low	27.1	Very low	160 Å²	160	135.6 Å²	135.6	84%	0.838	77%	0.766	S	S	*	*			trans	154	146.1	142.2	-106.5	65	0	0	0	107.5
1159	S	30.2	Very low	27.2	Very low	79 Å²	79	138 Å²	138	55%	0.552	77%	0.77	S	S	*	*			cis	180	119.6	-20.7	44.6	0	0	0	0	104.9
1160	T	27.9	Very low	27.1	Very low	133 Å²	133	137.5 Å²	137.5	82%	0.816	77%	0.767	S	S	*	*			trans	48.7	147.9	136.7	58.3	0	0	0	0	123
1161	R	24.9	Very low	27.1	Very low	218 Å²	218	139.3 Å²	139.3	82%	0.823	76%	0.762	S	S	*	*			cis	-175.8	140.8	-25.9	-155.7	-172.5	-177.5	179.2	-0	106.7
1162	T	24.5	Very low	27.3	Very low	109 Å²	109	137.7 Å²	137.7	67%	0.669	76%	0.758	S	S	*	*			trans	56.9	109.7	153.7	39.3	0	0	0	0	122.1
1163	K	28.1	Very low	27.2	Very low	190 Å²	190	133.3 Å²	133.3	83%	0.826	75%	0.751	S	S	*	*			trans	62.8	115.8	133.5	-61	-176.4	175.4	-174.8	0	120.2
1164	P	24.3	Very low	27.4	Very low	112 Å²	112	140.3 Å²	140.3	73%	0.727	76%	0.76	S	S	*	*				-99.4	173.2	100.5	-16.3	32.8	0	0	0	112.1
1165	T	23.6	Very low	27.3	Very low	127 Å²	127	139.7 Å²	139.7	78%	0.779	75%	0.753	S	S	*	*			cis	88.2	155.1	26.2	-37.5	0	0	0	0	114.2
1166	I	27.2	Very low	27.1	Very low	149 Å²	149	143.1 Å²	143.1	76%	0.764	76%	0.759	S	S	*	*			trans	87.7	119.6	-175.9	-52.5	159.7	0	0	0	112.9
1167	T	23.7	Very low	27	Very low	131 Å²	131	142.4 Å²	142.4	80%	0.804	75%	0.751	S	S	*	*			cis	98.2	115.6	10.6	77.6	0	0	0	0	118.1
1168	G	27.2	Very low	26.7	Very low	72 Å²	72	141.7 Å²	141.7	74%	0.742	75%	0.748	S	S	*	*			trans	128.5	152.5	170.7	0	0	0	0	0	112.9
1169	I	27.7	Very low	26.7	Very low	147 Å²	147	139.8 Å²	139.8	75%	0.754	75%	0.745	S	S	*	*			cis	-159.1	133.4	-7	-125.7	161.6	0	0	0	110.5
1170	N	27.2	Very low	26.5	Very low	139 Å²	139	140.8 Å²	140.8	74%	0.743	75%	0.752	S	S	*	*			trans	56.2	159.3	154.7	-49.9	-19.2	0	0	0	120.2
1171	Q	30.1	Very low	26.4	Very low	163 Å²	163	143.1 Å²	143.1	76%	0.762	76%	0.759	S	S	*	*			cis	-134.4	145.9	6.7	-78.6	-175	-19.3	0	0	113.1
1172	I	27.2	Very low	26.3	Very low	151 Å²	151	138 Å²	138	77%	0.774	76%	0.757	S	S	*	*			trans	37.1	129.4	131.1	-47	164	0	0	0	117.6
1173	G	25.7	Very low	26.5	Very low	66 Å²	66	139.8 Å²	139.8	68%	0.68	77%	0.767	S	S	*	*			cis	147.8	158.7	15.4	0	0	0	0	0	107
1174	W	28.6	Very low	26.2	Very low	234 Å²	234	140.2 Å²	140.2	89%	0.886	77%	0.769	S	S	*	*			cis	-137.4	161.7	11.5	-54.5	62.2	0	0	0	106.6
1175	Q	25.1	Very low	26.3	Very low	134 Å²	134	146.1 Å²	146.1	63%	0.626	78%	0.779	S	S	*	*			cis	91.6	96	23.4	-159.9	-174	115.7	0	0	117.4
1176	F	26.7	Very low	26.2	Very low	192 Å²	192	147.4 Å²	147.4	84%	0.842	78%	0.78	S	S	*	*			trans	-172.8	136.4	139.2	-103.1	-81.4	0	0	0	107.6
1177	R	25	Very low	25.9	Very low	182 Å²	182	145.3 Å²	145.3	69%	0.687	78%	0.779	S	S	*	*			cis	-177.6	124.5	-32	-116.8	-175.7	-175.5	-143.3	3.5	106.3
1178	S	25.9	Very low	26	Very low	87 Å²	87	147.3 Å²	147.3	61%	0.608	78%	0.778	S	S	*	*			trans	26.9	151.1	133.8	59	0	0	0	0	122
1179	P	30.6	Very low	25.8	Very low	121 Å²	121	155.1 Å²	155.1	79%	0.786	79%	0.787	S	S	*	*			cis	-129.6	158.9	27	37.4	-20.8	0	0	0	115.4
1180	S	25.6	Very low	25.7	Very low	100 Å²	100	154 Å²	154	70%	0.699	79%	0.79	S	S	*	*			cis	94.9	99.3	16.3	83.8	0	0	0	0	117.7
1181	L	26.6	Very low	25.4	Very low	182 Å²	182	157 Å²	157	95%	0.953	79%	0.79	S	S	*	*			trans	-151.6	158	141.8	-144.1	73.6	0	0	0	109.5
1182	S	22.4	Very low	25.1	Very low	111 Å²	111	160.3 Å²	160.3	78%	0.776	80%	0.796	S	S	*	*			trans	-147.1	140.9	-159.3	61.2	0	0	0	0	115.8
1183	T	27.6	Very low	25	Very low	146 Å²	146	159.7 Å²	159.7	90%	0.896	79%	0.794	S	S	*	*			trans	-145.3	151.5	156.1	31.6	0	0	0	0	110.7
1184	K	22.2	Very low	24.9	Very low	199 Å²	199	164.9 Å²	164.9	87%	0.865	80%	0.8	S	S	*	*			trans	-94.2	143.1	-177.1	-59.5	169.7	179.4	173.2	0	111
1185	Y	25.7	Very low	24.7	Very low	235 Å²	235	158.4 Å²	158.4	92%	0.922	79%	0.79	S	S	*	*			trans	-146.2	156.4	151.5	-100.3	-76.7	0	0	0	111.6
1186	L	22.2	Very low	24.8	Very low	155 Å²	155	157.6 Å²	157.6	81%	0.812	80%	0.795	S	S	*	*			trans	-82.5	152.8	175.3	-100.5	64.4	0	0	0	111.3
1187	S	21.9	Very low	24.6	Very low	105 Å²	105	153.9 Å²	153.9	73%	0.734	78%	0.783	S	S	*	*			trans	60.3	173.5	159.7	70.1	0	0	0	0	118.4
1188	H	24.6	Very low	24.6	Very low	172 Å²	172	153 Å²	153	80%	0.796	78%	0.784	S	S	*	*			trans	67.2	115	-178.9	-65.5	-81.4	0	0	0	118.4
1189	Y	23.9	Very low	24.5	Very low	237 Å²	237	156.1 Å²	156.1	93%	0.929	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-60.6	128.5	154.2	-85.8	-86.8	0	0	0	110.3
1190	P	24.9	Very low	24.2	Very low	124 Å²	124	155.9 Å²	155.9	81%	0.805	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-89.4	132.1	-177.3	32.8	-33.5	0	0	0	113.6
1191	R	21.1	Very low	24.2	Very low	200 Å²	200	156.8 Å²	156.8	76%	0.755	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-86.6	129.3	159.2	-71.9	177.8	165.7	-153	-9.9	110
1192	R	23.3	Very low	24.1	Very low	234 Å²	234	157.5 Å²	157.5	88%	0.883	79%	0.786	S	S	*	*			trans	-172.5	153.3	152.8	-85.8	-143.7	177.8	159.5	1.2	109.7
1193	L	24.3	Very low	24.2	Very low	138 Å²	138	159.1 Å²	159.1	72%	0.723	78%	0.775	S	S	*	*			cis	-166.4	-176.8	-27.5	-155.6	112.4	0	0	0	107.5
1194	Q	25.1	Very low	24.2	Very low	175 Å²	175	162 Å²	162	82%	0.818	77%	0.77	S	S	*	*			trans	76.1	135.5	171.1	-57.6	178.7	-9	0	0	115.7
1195	S	24.7	Very low	24.3	Very low	97 Å²	97	160.2 Å²	160.2	68%	0.678	76%	0.762	S	S	*	*			cis	-164.1	173.1	-9.3	48.8	0	0	0	0	112.9
1196	T	25.5	Very low	24.3	Very low	117 Å²	117	158 Å²	158	72%	0.718	76%	0.757	S	S	*	*			trans	66.6	109	157.4	48.7	0	0	0	0	120.7
1197	D	24.3	Very low	24.6	Very low	114 Å²	114	155.9 Å²	155.9	61%	0.61	75%	0.746	S	S	*	*				88.8	98.6	124.1	-73.1	-9.8	0	0	0	124.6
1198	K	23.2	Very low	24.6	Very low	163 Å²	163	155.1 Å²	155.1	71%	0.709	73%	0.734	S	S	*	*				77.3	151.3	114.6	-69.4	179.5	-174.7	91.6	0	121.4
1199	I	25.2	Very low	24.7	Very low	153 Å²	153	156.2 Å²	156.2	79%	0.785	74%	0.736	S	S	*	*			trans	87.5	78.2	157	-65.6	147.2	0	0	0	119.2
1200	V	24.7	Very low	24.6	Very low	116 Å²	116	150.2 Å²	150.2	70%	0.703	73%	0.729	S	S	*	*				65.7	98.9	106.4	173.1	0	0	0	0	121
1201	T	24.4	Very low	24.6	Very low	120 Å²	120	149.2 Å²	149.2	74%	0.736	73%	0.725	S	S	*	*			trans	66.8	163.5	142.2	71.5	0	0	0	0	119.1
1202	K	24.9	Very low	24.9	Very low	196 Å²	196	147.8 Å²	147.8	85%	0.852	72%	0.724	S	S	*	*			cis	-158.2	154.2	12.4	-141.7	158.3	-174.2	172.9	0	111
1203	R	24.5	Very low	25	Very low	145 Å²	145	141.5 Å²	141.5	55%	0.547	72%	0.716	S	S	.	*			trans	-75.7	150.8	176	-68.4	167.1	154	175.1	-12.1	113.1
1204	R	26.4	Very low	25.1	Very low	207 Å²	207	141.3 Å²	141.3	78%	0.781	73%	0.726	S	S	*	*				171.8	128.2	108.4	-95.6	179	171.1	172.2	-1.6	116.9
1205	F	24.8	Very low	25.2	Very low	162 Å²	162	136.6 Å²	136.6	71%	0.711	73%	0.725	S	S	*	*			trans	28	135.7	131.1	-76.4	-102.1	0	0	0	122
1206	F	26.6	Very low	25.2	Very low	187 Å²	187	138.4 Å²	138.4	82%	0.82	74%	0.736	S	S	*	*				-158.8	129.1	107.1	-133.9	-118.8	0	0	0	116.4
1207	L	28.1	Very low	25.3	Very low	111 Å²	111	138.6 Å²	138.6	58%	0.581	74%	0.742	S	S	*	*			trans	29.1	115.4	158.1	-60.9	-174.8	0	0	0	123.1
1208	L	21.8	Very low	25.5	Very low	90 Å²	90	137.7 Å²	137.7	47%	0.471	75%	0.745	S	S	.	*				-70.7	155.7	124.7	-88.5	169.7	0	0	0	110.3	E927	E927-L1208 WeakPolarHBondContact OE1-CD1 3.38Å
1209	K	26.1	Very low	25.6	Very low	194 Å²	194	137 Å²	137	84%	0.843	75%	0.748	S	S	*	*			trans	-150.6	97.6	163.3	-160.6	173.4	-173	178.6	0	111.6
1210	S	23.1	Very low	25.7	Very low	111 Å²	111	137 Å²	137	78%	0.776	75%	0.748	S	S	*	*			trans	-87.4	177.5	173.3	56.4	0	0	0	0	112
1211	S	25.1	Very low	25.7	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	76%	0.755	S	S	*	*			trans	-67	143.1	178	46.7	0	0	0	0	114.1
1212	K	26.1	Very low	25.8	Very low	170 Å²	170	140.1 Å²	140.1	74%	0.739	76%	0.756	S	S	*	*			trans	-121.5	141.3	145.3	-77.6	-169.4	177.5	-177.7	0	108.2	E20	E20-K1212 IonicContact OE1-NZ 2.84Å; E20-K1212 PolarHBondContact OE1-NZ 2.8Å; E20-K1212 IonicContact OE2-NZ 2.92Å; E20-K1212 PolarHBondContact OE2-NZ 2.84Å
1213	S	25.7	Very low	25.8	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	75%	0.747	S	S	*	*			trans	-143	161.5	-175.1	52.5	0	0	0	0	110.1
1214	S	27.1	Very low	25.8	Very low	133 Å²	133	137.1 Å²	137.1	93%	0.93	76%	0.759	S	S	*	*			trans	67.1	150.6	-175.8	83	0	0	0	0	115.8
1215	G	26.7	Very low	25.7	Very low	77 Å²	77	136.1 Å²	136.1	79%	0.794	76%	0.76	S	S	*	*			trans	162.1	6.7	-171.3	0	0	0	0	0	118.5
1216	C	25	Very low	25.7	Very low	135 Å²	135	133.2 Å²	133.2	91%	0.912	76%	0.76	S	S	*	*			trans	-122.9	153.4	164.1	-72.4	0	0	0	0	108.3
1217	S	28.2	Very low	25.7	Very low	121 Å²	121	132.5 Å²	132.5	85%	0.846	76%	0.756	S	S	*	*			cis	-126.7	166.6	6.9	50.7	0	0	0	0	112.7
1218	S	26.8	Very low	25.6	Very low	94 Å²	94	133.6 Å²	133.6	66%	0.657	76%	0.759	S	S	*	*			trans	-106.5	143.1	-178.6	56.2	0	0	0	0	113
1219	N	26.2	Very low	25.8	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	78%	0.775	S	S	*	*			trans	72.7	150.3	162.4	-51.3	-6.1	0	0	0	113.8
1220	I	28.3	Very low	25.8	Very low	153 Å²	153	136.4 Å²	136.4	79%	0.785	77%	0.774	S	S	*	*			cis	-127.7	133	32.9	-68.2	160.7	0	0	0	112.9	L1222	I1220-L1222 HydrophobicContact CG2-CG 4.44Å
1221	D	23.7	Very low	26	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	77%	0.774	S	S	*	*			trans	-80.1	135.9	158.3	-80.6	-60.2	0	0	0	110.7
1222	L	27.2	Very low	26.3	Very low	146 Å²	146	137.4 Å²	137.4	76%	0.764	78%	0.778	S	S	*	*			trans	-148.4	93.7	160.2	-103.3	174.1	0	0	0	112.2	I1220	I1220-L1222 HydrophobicContact CG2-CG 4.44Å
1223	T	25.2	Very low	26.4	Very low	108 Å²	108	135.5 Å²	135.5	66%	0.663	78%	0.783	S	S	*	*			trans	42.1	121	138.8	58.6	0	0	0	0	121.7
1224	Q	24.4	Very low	26.4	Very low	170 Å²	170	135.8 Å²	135.8	79%	0.794	79%	0.785	S	S	*	*				47.1	103.7	129.7	-56.9	-176.1	-6.3	0	0	119.7
1225	K	24.6	Very low	26.3	Very low	187 Å²	187	136.8 Å²	136.8	81%	0.813	78%	0.78	S	S	*	*				171.7	144.1	102.6	-95.5	170.8	-177.5	176.1	0	114.4
1226	S	24.3	Very low	26.4	Very low	101 Å²	101	144.4 Å²	144.4	71%	0.706	79%	0.787	S	S	*	*			trans	41.7	127.1	148.7	61.4	0	0	0	0	123.1
1227	K	25.7	Very low	26.4	Very low	171 Å²	171	146.4 Å²	146.4	74%	0.743	78%	0.78	S	S	*	*			trans	82.5	125.6	142.1	-76.5	173.7	158	-96.9	0	121
1228	E	26.1	Very low	26.3	Very low	134 Å²	134	146.3 Å²	146.3	63%	0.626	78%	0.776	S	S	*	*			trans	75	94.4	134.9	-71.8	156.9	-135.6	0	0	122.3
1229	N	25.6	Very low	26.3	Very low	151 Å²	151	149.1 Å²	149.1	81%	0.807	78%	0.783	S	S	*	*				79	152.1	123.3	-71.1	-27.4	0	0	0	122.9
1230	K	27.8	Very low	26.2	Very low	193 Å²	193	148.4 Å²	148.4	84%	0.839	77%	0.774	S	S	*	*			trans	72.4	89.4	163.4	-70	179.3	-179.9	178.7	0	120.2
1231	S	27.4	Very low	26.1	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	78%	0.775	S	S	*	*				62.4	148.3	128.2	47.4	0	0	0	0	122.3
1232	P	30.9	Very low	26.1	Very low	124 Å²	124	147.4 Å²	147.4	81%	0.805	77%	0.769	S	S	*	*			trans	-103.4	161.1	-170.2	40.2	-35.5	0	0	0	115.1
1233	P	27.3	Very low	26.1	Very low	129 Å²	129	149 Å²	149	84%	0.838	77%	0.773	S	S	*	*			trans	-114.5	145.9	153.8	35.9	-26.7	0	0	0	112.9
1234	S	25.4	Very low	26	Very low	110 Å²	110	148.5 Å²	148.5	77%	0.769	77%	0.769	S	S	*	*			trans	-87.5	138	175.3	53.6	0	0	0	0	112.4
1235	N	26.3	Very low	26	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	75%	0.75	S	S	*	*			trans	-161.6	94.5	155.1	-107	-37.7	0	0	0	112.4
1236	Y	27.9	Very low	26	Very low	236 Å²	236	138.8 Å²	138.8	93%	0.925	74%	0.737	S	S	*	*			trans	-123.3	105.8	161.5	-100.1	-84	0	0	0	108.8
1237	K	25.8	Very low	26	Very low	177 Å²	177	139.4 Å²	139.4	77%	0.77	73%	0.728	S	S	*	*			trans	-68	143.2	166.8	-71.1	-179.6	175.7	-179.8	0	108.8	I1239	K1237-I1239 PolarHBondContact O-N 3.49Å
1238	P	25.5	Very low	26	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	73%	0.727	S	S	*	*			trans	-61	136.6	164.7	28.7	-33.7	0	0	0	108.7	E1240	P1238-E1240 PolarHBondContact O-N 2.89Å; P1238-E1240 VanDerWaalsContact O-N 3.11Å
1239	I	26.3	Very low	25.9	Very low	154 Å²	154	140.2 Å²	140.2	79%	0.79	74%	0.735	S	S	*	*			trans	-72	107.9	176.2	-62.9	174.8	0	0	0	107.8	K1237 I1241	K1237-I1239 PolarHBondContact O-N 3.49Å; I1239-I1241 HydrophobicContact CG2-CG1 4.45Å; I1239-I1241 PolarHBondContact O-N 2.7Å; I1239-I1241 VanDerWaalsContact O-N 3.13Å
1240	E	24.6	Very low	25.9	Very low	132 Å²	132	141 Å²	141	62%	0.617	73%	0.731	S	S	*	*			trans	-63.2	111.4	164.1	-70.3	-164	152.4	0	0	108.7	P1238 N1242	P1238-E1240 PolarHBondContact O-N 2.89Å; P1238-E1240 VanDerWaalsContact O-N 3.11Å; E1240-N1242 HydrophobicContact CB-CB 4.43Å; E1240-N1242 PolarHBondContact O-N 2.76Å; E1240-N1242 PolarHBondContact OE2-ND2 2.89Å
1241	I	27.2	Very low	25.9	Very low	156 Å²	156	137.7 Å²	137.7	80%	0.8	73%	0.728	S	S	*	*			trans	-79.2	64	169.7	-50.3	-178.9	0	0	0	108.4	I1239 E1243	I1239-I1241 HydrophobicContact CG2-CG1 4.45Å; I1239-I1241 PolarHBondContact O-N 2.7Å; I1239-I1241 VanDerWaalsContact O-N 3.13Å; I1241-E1243 VanDerWaalsContact C-N 3.32Å; I1241-E1243 PolarHBondContact O-N 3.46Å
1242	N	23	Very low	25.9	Very low	132 Å²	132	137.7 Å²	137.7	71%	0.706	73%	0.726	S	S	*	*			trans	-94.3	56.4	169.6	-91.8	-28.1	0	0	0	109.1	E1240	E1240-N1242 HydrophobicContact CB-CB 4.43Å; E1240-N1242 PolarHBondContact O-N 2.76Å; E1240-N1242 PolarHBondContact OE2-ND2 2.89Å
1243	E	26.4	Very low	25.8	Very low	180 Å²	180	138.2 Å²	138.2	84%	0.841	72%	0.722	S	S	*	*			trans	-135.1	135.4	173.4	-136.9	174.2	-127.3	0	0	115	I1241	I1241-E1243 VanDerWaalsContact C-N 3.32Å; I1241-E1243 PolarHBondContact O-N 3.46Å
1244	T	24.8	Very low	25.9	Very low	97 Å²	97	137.7 Å²	137.7	60%	0.595	72%	0.719	S	S	*	*			trans	-68.5	168.8	-168	57.8	0	0	0	0	114.6	S1246	T1244-S1246 PolarHBondContact O-N 3.4Å
1245	M	22.8	Very low	25.9	Very low	78 Å²	78	140.9 Å²	140.9	38%	0.384	72%	0.719	S	S	.	*			trans	-33.1	124.1	160.8	-64.4	-175.5	176.2	0	0	114.4	L1444 T1447	M1245-L1444 HydrophobicContact CB-CD2 3.76Å; M1245-L1444 HydrophobicContact CE-CD2 4.37Å; M1245-L1444 HydrophobicContact CE-CG 4.17Å; M1245-L1444 HydrophobicContact CG-CD2 3.59Å; M1245-L1444 HydrophobicContact CG-CG 4.35Å; M1245-L1444 HydrophobicContact SD-CD2 3.69Å; M1245-L1444 HydrophobicContact SD-CG 4.12Å; M1245-T1447 HydrophobicContact CE-CG2 4.06Å; M1245-T1447 VanDerWaalsContact SD-CB 3.57Å; M1245-T1447 HydrophobicContact SD-CG2 3.84Å
1246	S	24.7	Very low	25.9	Very low	76 Å²	76	138.3 Å²	138.3	53%	0.531	71%	0.713	S	S	.	*				-168.7	146.5	127.2	54.7	0	0	0	0	113.3	T1244	T1244-S1246 PolarHBondContact O-N 3.4Å
1247	H	24.7	Very low	25.8	Very low	114 Å²	114	136.2 Å²	136.2	53%	0.528	71%	0.709	S	S	.	*			trans	-62	131.1	153.3	-56.3	-140.2	0	0	0	108.4
1248	K	26	Very low	25.8	Very low	166 Å²	166	132.8 Å²	132.8	72%	0.722	71%	0.707	S	S	*	*			trans	-135.3	110.6	153.7	-105	175	-177.2	171	0	110.9	F1250	K1248-F1250 HydrophobicContact CB-CD2 4.29Å; K1248-F1250 HydrophobicContact CB-CE2 4.29Å; K1248-F1250 HydrophobicContact CD-CE2 4.34Å; K1248-F1250 PolarHBondContact O-N 3.25Å
1249	I	24.4	Very low	26.2	Very low	156 Å²	156	132.8 Å²	132.8	80%	0.8	71%	0.707	S	S	*	*			trans	-66.3	123.3	165	-65.4	163.4	0	0	0	106.8
1250	F	24.4	Very low	26.3	Very low	166 Å²	166	134.1 Å²	134.1	73%	0.728	71%	0.708	S	S	*	*			trans	-113.9	91.6	172.3	-98.7	-78.1	0	0	0	110.7	K1248	K1248-F1250 HydrophobicContact CB-CD2 4.29Å; K1248-F1250 HydrophobicContact CB-CE2 4.29Å; K1248-F1250 HydrophobicContact CD-CE2 4.34Å; K1248-F1250 PolarHBondContact O-N 3.25Å
1251	T	28.6	Very low	26.8	Very low	125 Å²	125	134.9 Å²	134.9	77%	0.767	71%	0.711	S	S	*	*			trans	-129.5	104.9	152.6	50.4	0	0	0	0	106.5
1252	C	26.2	Very low	27	Very low	110 Å²	110	132.3 Å²	132.3	74%	0.743	70%	0.699	S	S	*	*			trans	-68.9	149.3	179.9	-73.3	0	0	0	0	111.7
1253	N	28.7	Very low	27.4	Very low	135 Å²	135	134.7 Å²	134.7	72%	0.722	70%	0.698	S	S	*	*			trans	-63.7	158.5	169.7	-131.2	-40.9	0	0	0	109.8	K1255	N1253-K1255 PolarHBondContact OD1-N 3.09Å
1254	P	31	Very low	27.5	Very low	118 Å²	118	134.2 Å²	134.2	77%	0.766	69%	0.688	S	S	*	*				-141.3	144.7	69.3	35.8	-18.4	0	0	0	117.2
1255	K	25.5	Very low	27.9	Very low	177 Å²	177	137.6 Å²	137.6	77%	0.77	70%	0.697	S	S	*	*			trans	13.8	139.5	133.3	-49.3	178.3	-179.4	176.9	0	116.1	N1253	N1253-K1255 PolarHBondContact OD1-N 3.09Å
1256	S	25.2	Very low	28.3	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	72%	0.718	S	S	*	*				179.3	176.4	60.6	62.6	0	0	0	0	114.7
1257	F	25.4	Very low	28.5	Very low	193 Å²	193	143.6 Å²	143.6	85%	0.846	73%	0.727	S	S	*	*			trans	44.4	123.3	164.4	-73.2	-87.9	0	0	0	119.4
1258	S	26.5	Very low	28.9	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	74%	0.736	S	S	*	*			cis	172.9	173.5	17.7	49.9	0	0	0	0	109.8
1259	P	34.4	Very low	29.2	Very low	119 Å²	119	140.7 Å²	140.7	77%	0.773	73%	0.733	S	S	*	*			trans	-118.3	177.7	-167.9	42.5	-32.6	0	0	0	114.8
1260	K	28.9	Very low	29.5	Very low	183 Å²	183	138.2 Å²	138.2	80%	0.796	73%	0.725	S	S	*	*			trans	-164.3	128.9	149.3	-110.2	169.5	-176.2	174	0	113.6
1261	H	33.6	Very low	29.6	Very low	148 Å²	148	136.9 Å²	136.9	69%	0.685	72%	0.721	S	S	*	*			trans	61.1	151.5	146.1	-66.4	-37.1	0	0	0	120.6
1262	N	31.1	Very low	29.8	Very low	102 Å²	102	134.9 Å²	134.9	55%	0.545	72%	0.717	S	S	.	*			cis	-165	149.7	-8.4	-116.5	-15.9	0	0	0	112.9
1263	R	31.4	Very low	29.8	Very low	181 Å²	181	138.8 Å²	138.8	68%	0.683	72%	0.717	S	S	*	*			trans	68.2	151.9	142.9	-64.4	174	179.1	-173.3	-1.2	117.9
1264	R	30.2	Very low	29.8	Very low	170 Å²	170	139.1 Å²	139.1	64%	0.642	72%	0.718	S	S	*	*			cis	-165.1	151.1	-5.8	-118.1	169.8	176.4	-178.9	-4.1	113
1265	H	32.7	Very low	29.5	Very low	168 Å²	168	137.3 Å²	137.3	78%	0.778	71%	0.708	S	S	*	*			trans	63.2	152.8	149	-59.4	-42	0	0	0	119.7
1266	T	31.3	Very low	29.5	Very low	135 Å²	135	137.1 Å²	137.1	83%	0.828	71%	0.71	S	S	*	*			cis	-140.9	169.6	7	-20.4	0	0	0	0	113.1
1267	M	27.2	Very low	29.4	Very low	145 Å²	145	135.7 Å²	135.7	71%	0.714	70%	0.7	S	S	*	*			trans	-104.6	-158.1	-173.9	-134.2	-168.8	168.1	0	0	111.1
1268	P	34.2	Very low	29.4	Very low	110 Å²	110	135.5 Å²	135.5	71%	0.714	70%	0.699	S	S	*	*			cis	-91.2	-160.5	3.4	42.7	-39.9	0	0	0	112.2
1269	T	32.8	Very low	29.3	Very low	109 Å²	109	134.9 Å²	134.9	67%	0.669	70%	0.695	S	S	*	*			cis	-131.4	172	-1.4	32.4	0	0	0	0	109
1270	V	29.3	Very low	28.8	Very low	105 Å²	105	135 Å²	135	64%	0.636	69%	0.693	S	S	*	*			cis	91.9	120.8	15.4	179.3	0	0	0	0	114.6
1271	E	28.1	Very low	28.6	Very low	137 Å²	137	130.8 Å²	130.8	64%	0.64	69%	0.687	S	S	*	*			cis	-153.8	172.9	-12.1	-114.8	174.7	-121.6	0	0	105.7	R1273	E1271-R1273 IonicContact OE2-CZ 2.78Å; E1271-R1273 IonicContact OE2-NE 2.79Å; E1271-R1273 PolarHBondContact OE2-NE 2.92Å; E1271-R1273 IonicContact OE2-NH2 3.23Å; E1271-R1273 PolarHBondContact OE2-NH2 2.92Å
1272	A	31.4	Very low	28.2	Very low	83 Å²	83	128.2 Å²	128.2	69%	0.686	69%	0.686	S	S	*	*			cis	-172.9	173.9	35.6	0	0	0	0	0	107.2
1273	R	27	Very low	27.8	Very low	193 Å²	193	128.1 Å²	128.1	73%	0.728	69%	0.693	S	S	*	*			cis	-165.9	168.7	-10.6	-126.2	170.3	-139.6	179	5.3	109.8	E1271	E1271-R1273 IonicContact OE2-CZ 2.78Å; E1271-R1273 IonicContact OE2-NE 2.79Å; E1271-R1273 PolarHBondContact OE2-NE 2.92Å; E1271-R1273 IonicContact OE2-NH2 3.23Å; E1271-R1273 PolarHBondContact OE2-NH2 2.92Å
1274	N	29.5	Very low	27.5	Very low	141 Å²	141	125.2 Å²	125.2	75%	0.754	70%	0.695	S	S	*	*			trans	70.6	150.2	159.2	-63.2	11.4	0	0	0	119.5
1275	S	24.6	Very low	27.2	Very low	80 Å²	80	124.6 Å²	124.6	56%	0.559	70%	0.701	S	S	*	*			cis	174.7	143.4	-47.3	44.2	0	0	0	0	110.4
1276	E	24.6	Very low	26.8	Very low	174 Å²	174	122.8 Å²	122.8	81%	0.813	70%	0.697	S	S	*	*			trans	64.9	162.6	145.8	-72	174.2	-144.8	0	0	119.1
1277	S	23.6	Very low	26.5	Very low	70 Å²	70	122.4 Å²	122.4	49%	0.49	68%	0.684	S	S	.	*			cis	-163.6	168.5	-29.7	60.5	0	0	0	0	109.8
1278	K	24.9	Very low	26.4	Very low	188 Å²	188	123.8 Å²	123.8	82%	0.817	68%	0.683	S	S	*	*			trans	65.2	165.9	161.1	-64.6	157	-167.7	158.3	0	114.6
1279	S	24.1	Very low	25.8	Very low	91 Å²	91	128 Å²	128	64%	0.636	69%	0.685	S	S	*	*			cis	-157.9	-177.9	-32.8	52.9	0	0	0	0	108
1280	T	24.5	Very low	25.4	Very low	122 Å²	122	132.1 Å²	132.1	75%	0.748	69%	0.688	S	S	*	*			trans	38.7	132.9	146.9	50.3	0	0	0	0	120.9
1281	S	24.3	Very low	25.2	Very low	94 Å²	94	130.8 Å²	130.8	66%	0.657	68%	0.683	S	S	*	*			cis	-178	-171.6	-1.5	44.7	0	0	0	0	108.7
1282	S	25	Very low	25	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	69%	0.686	S	S	*	*			trans	47	107.7	140.3	60.7	0	0	0	0	118.1
1283	S	23.8	Very low	24.7	Very low	99 Å²	99	133.1 Å²	133.1	69%	0.692	69%	0.688	S	S	*	*				93.4	102.6	89.6	-173.9	0	0	0	0	110.4
1284	V	24.6	Very low	24.6	Very low	121 Å²	121	131.9 Å²	131.9	73%	0.733	69%	0.69	S	S	*	*				73.6	151.4	74.4	167.3	0	0	0	0	111.6
1285	M	23.2	Very low	24.3	Very low	156 Å²	156	130.4 Å²	130.4	77%	0.768	69%	0.686	S	S	*	*			trans	73.5	142.5	178.6	-80.7	153	-177.2	0	0	113.7
1286	N	25.1	Very low	24.3	Very low	130 Å²	130	133.1 Å²	133.1	70%	0.695	69%	0.694	S	S	*	*			cis	162.2	168.1	-10.7	-106.7	0.3	0	0	0	103.3
1287	K	25.4	Very low	24.2	Very low	128 Å²	128	131.5 Å²	131.5	56%	0.557	69%	0.691	S	S	*	*			cis	172.3	155.6	-18.1	177.7	-175.9	-175.3	-167.4	0	105
1288	Y	23.6	Very low	24.2	Very low	173 Å²	173	133.6 Å²	133.6	68%	0.678	70%	0.701	S	S	*	*			trans	67.4	166.4	179	-50.2	-61.1	0	0	0	113.5
1289	R	23.4	Very low	24.1	Very low	200 Å²	200	135.5 Å²	135.5	76%	0.755	70%	0.704	S	S	*	*			cis	-136.2	151.7	-1.5	-137.5	139.9	-165.6	-164.3	0.5	105.9
1290	R	24.5	Very low	24	Very low	194 Å²	194	138.2 Å²	138.2	73%	0.732	71%	0.709	S	S	*	*				35.8	134.3	84.9	-94.2	-166.1	-165.1	172.1	4.3	112
1291	S	23.4	Very low	23.9	Very low	77 Å²	77	141.4 Å²	141.4	54%	0.538	71%	0.713	S	S	.	*			cis	-165.7	-167.1	10	28.8	0	0	0	0	108.3
1292	D	24.8	Very low	23.9	Very low	133 Å²	133	142.2 Å²	142.2	71%	0.711	72%	0.719	S	S	*	*			trans	73.8	148.5	155.8	-42.8	-50.1	0	0	0	115.2
1293	L	24.1	Very low	23.9	Very low	136 Å²	136	143.8 Å²	143.8	71%	0.712	72%	0.72	S	S	*	*			cis	178.3	156.4	-30.2	-138.1	65.8	0	0	0	103.8
1294	H	25	Very low	24.1	Very low	168 Å²	168	146.1 Å²	146.1	78%	0.778	72%	0.719	S	S	*	*			trans	65.1	169.2	162.3	-80.8	-69	0	0	0	121.2
1295	T	24.8	Very low	24.2	Very low	109 Å²	109	145 Å²	145	67%	0.669	72%	0.717	S	S	*	*			trans	62.2	94.9	166.7	46.6	0	0	0	0	117.4
1296	D	23	Very low	24.3	Very low	138 Å²	138	143 Å²	143	74%	0.738	72%	0.718	S	S	*	*				53.6	146.8	99.9	-46.8	-26.4	0	0	0	120.3
1297	D	23.3	Very low	24.4	Very low	139 Å²	139	139.8 Å²	139.8	74%	0.743	72%	0.716	S	S	*	*			trans	54.3	104.3	144.9	-72.4	-7.1	0	0	0	121.2
1298	T	22.7	Very low	24.4	Very low	115 Å²	115	139.7 Å²	139.7	71%	0.706	73%	0.726	S	S	*	*				81.8	134.7	127	68.3	0	0	0	0	120.3
1299	W	23	Very low	24.5	Very low	228 Å²	228	139.5 Å²	139.5	86%	0.864	73%	0.732	S	S	*	*			trans	38.1	142.9	130.1	-68.1	82.1	0	0	0	122.6
1300	I	22	Very low	24.7	Very low	147 Å²	147	135 Å²	135	75%	0.754	73%	0.73	S	S	*	*			trans	97.7	135.8	155.8	-62.6	141.2	0	0	0	117.4
1301	F	23.5	Very low	24.7	Very low	190 Å²	190	132.2 Å²	132.2	83%	0.833	73%	0.73	S	S	*	*			trans	-34.4	135.4	165.5	-59.7	-106.3	0	0	0	113.5
1302	S	24.2	Very low	25	Very low	111 Å²	111	134.5 Å²	134.5	78%	0.776	74%	0.736	S	S	*	*				-166.7	140.6	86.2	20.9	0	0	0	0	110
1303	N	25.2	Very low	25.1	Very low	128 Å²	128	136.1 Å²	136.1	68%	0.684	74%	0.74	S	S	*	*				88.8	146	53	-165	25.4	0	0	0	112.5
1304	H	27.1	Very low	25.2	Very low	147 Å²	147	136.2 Å²	136.2	68%	0.681	74%	0.74	S	S	*	*			trans	67.3	114.5	-175.8	-68	-73.7	0	0	0	115.6
1305	S	26.5	Very low	25.1	Very low	97 Å²	97	133.3 Å²	133.3	68%	0.678	74%	0.738	S	S	*	*				75.2	143.6	64.9	84.5	0	0	0	0	112.7
1306	S	26.4	Very low	25.2	Very low	115 Å²	115	133 Å²	133	80%	0.804	74%	0.74	S	S	*	*			cis	-165.3	166.9	33	52.5	0	0	0	0	114
1307	G	26.7	Very low	25.5	Very low	62 Å²	62	132 Å²	132	64%	0.639	74%	0.744	S	S	*	*			trans	92.7	148.6	143.5	0	0	0	0	0	118.8
1308	T	25.5	Very low	25.7	Very low	126 Å²	126	129.8 Å²	129.8	77%	0.773	74%	0.739	S	S	*	*			cis	-160.5	150.7	-10.5	-4.2	0	0	0	0	112.6
1309	Q	26.5	Very low	26.1	Very low	170 Å²	170	131.6 Å²	131.6	79%	0.794	74%	0.743	S	S	*	*			trans	71.8	128.9	148.3	-75.1	167.5	-25.4	0	0	121.7
1310	S	26.7	Very low	26.5	Very low	104 Å²	104	126.8 Å²	126.8	73%	0.727	74%	0.739	S	S	*	*			trans	74.9	135.7	137.1	61.4	0	0	0	0	121.1
1311	N	25.4	Very low	26.9	Very low	137 Å²	137	123.6 Å²	123.6	73%	0.733	73%	0.729	S	S	*	*			cis	-169.7	176.4	-27.2	-127.3	44.4	0	0	0	109.6
1312	D	28.8	Very low	27.3	Very low	124 Å²	124	118.8 Å²	118.8	66%	0.663	73%	0.725	S	S	*	*			trans	79.1	76.1	155.6	-50.7	-18.4	0	0	0	120.1
1313	E	26.3	Very low	27.4	Very low	167 Å²	167	120.5 Å²	120.5	78%	0.78	72%	0.721	S	S	*	*				82.5	154.6	109	-79.8	-165.9	155.3	0	0	124.9
1314	L	26	Very low	27.3	Very low	139 Å²	139	120.4 Å²	120.4	73%	0.728	73%	0.728	S	S	*	*			trans	75.9	68.2	151.2	-81.4	149.7	0	0	0	121.2
1315	C	24.6	Very low	27.2	Very low	107 Å²	107	120.8 Å²	120.8	72%	0.723	74%	0.735	S	S	*	*				92.1	150.9	107.3	-81.8	0	0	0	0	123.9
1316	S	26.1	Very low	27	Very low	103 Å²	103	121.8 Å²	121.8	72%	0.72	74%	0.742	S	S	*	*			trans	56.4	102.1	160.8	44.4	0	0	0	0	117.4
1317	S	29	Very low	26.9	Very low	116 Å²	116	126.3 Å²	126.3	81%	0.811	74%	0.742	S	S	*	*				70.7	144.9	61.5	90.6	0	0	0	0	113.2
1318	S	28.3	Very low	26.7	Very low	92 Å²	92	130.9 Å²	130.9	64%	0.643	75%	0.752	S	S	*	*			cis	-161.3	147.8	24	58.1	0	0	0	0	114.6
1319	I	30.1	Very low	26.7	Very low	154 Å²	154	136.5 Å²	136.5	79%	0.79	76%	0.761	S	S	*	*				66.1	129.1	126.1	-69.4	174.2	0	0	0	118.8
1320	T	31.1	Very low	26.6	Very low	126 Å²	126	132 Å²	132	77%	0.773	76%	0.761	S	S	*	*			cis	-148.2	158.3	7	-3	0	0	0	0	115
1321	S	30.5	Very low	26.4	Very low	80 Å²	80	136.7 Å²	136.7	56%	0.559	77%	0.768	S	S	*	*			trans	-87	-152.1	163.9	57.4	0	0	0	0	110.7	Q1323	S1321-Q1323 PolarHBondContact OG-OE1 2.95Å
1322	A	31.5	Very low	26.4	Very low	90 Å²	90	136.8 Å²	136.8	74%	0.744	77%	0.774	S	S	*	*			cis	-107.1	140.1	25.9	0	0	0	0	0	112.4
1323	Q	27.1	Very low	26.3	Very low	147 Å²	147	137.8 Å²	137.8	69%	0.687	78%	0.779	S	S	*	*				61.8	115.6	60.6	-67.7	166.1	-70.8	0	0	112.2	S1321	S1321-Q1323 PolarHBondContact OG-OE1 2.95Å
1324	C	22.3	Very low	26.4	Very low	125 Å²	125	137.8 Å²	137.8	85%	0.845	78%	0.783	S	S	*	*				66.9	94.2	55.6	-60.2	0	0	0	0	113.2
1325	L	25	Very low	26.4	Very low	156 Å²	156	135.3 Å²	135.3	82%	0.817	78%	0.777	S	S	*	*			trans	-132.6	114	160.4	-87	168.1	0	0	0	108.8	Y1327	L1325-Y1327 HydrophobicContact CD2-CD2 4.16Å; L1325-Y1327 HydrophobicContact CD2-CE2 4.08Å
1326	S	22.8	Very low	26.6	Very low	117 Å²	117	135.6 Å²	135.6	82%	0.818	78%	0.781	S	S	*	*			trans	-87.9	123.2	162.5	52.4	0	0	0	0	108.5
1327	Y	24.2	Very low	26.7	Very low	210 Å²	210	139.3 Å²	139.3	82%	0.824	79%	0.786	S	S	*	*			trans	-135	150.1	174.5	-109	-92.6	0	0	0	112.2	L1325	L1325-Y1327 HydrophobicContact CD2-CD2 4.16Å; L1325-Y1327 HydrophobicContact CD2-CE2 4.08Å
1328	N	23	Very low	26.5	Very low	158 Å²	158	139.7 Å²	139.7	85%	0.845	79%	0.788	S	S	*	*			trans	-83.1	171.9	-170.8	-80.4	-36.8	0	0	0	113.8
1329	Y	25.5	Very low	26.4	Very low	244 Å²	244	143.8 Å²	143.8	96%	0.957	80%	0.802	S	S	*	*			trans	-41.4	133.7	169.5	-91	-112.7	0	0	0	113.8
1330	G	24.1	Very low	26.2	Very low	77 Å²	77	141.1 Å²	141.1	79%	0.794	80%	0.797	S	S	*	*			trans	-164.7	133.3	169	0	0	0	0	0	111.6
1331	K	23.5	Very low	26	Very low	201 Å²	201	143.1 Å²	143.1	87%	0.874	80%	0.801	S	S	*	*			trans	-86.2	141.9	172.8	-57.8	170.3	-179.3	173.8	0	109.2
1332	T	25.7	Very low	26	Very low	140 Å²	140	144.1 Å²	144.1	86%	0.859	81%	0.805	S	S	*	*				174.2	164	110.3	37.7	0	0	0	0	113.8
1333	L	25.2	Very low	25.7	Very low	145 Å²	145	146.1 Å²	146.1	76%	0.759	80%	0.804	S	S	*	*			trans	-66.2	156.2	178.6	-76.9	60.1	0	0	0	113.7
1334	L	28.1	Very low	25.8	Very low	166 Å²	166	146.2 Å²	146.2	87%	0.869	81%	0.814	S	S	*	*				-179.7	113.9	106.3	-105.9	110.7	0	0	0	107.1
1335	S	26.5	Very low	26	Very low	87 Å²	87	145.8 Å²	145.8	61%	0.608	80%	0.803	S	S	*	*			cis	95.9	117.1	38.1	75.7	0	0	0	0	114.2
1336	S	30.1	Very low	26.2	Very low	114 Å²	114	146.7 Å²	146.7	80%	0.797	80%	0.801	S	S	*	*			trans	-146.4	96.1	154.8	29.6	0	0	0	0	111.2
1337	Q	28.1	Very low	26.6	Very low	180 Å²	180	146.6 Å²	146.6	84%	0.841	80%	0.796	S	S	*	*			trans	54.8	99.2	141	-64.6	164.4	-9.3	0	0	117.6
1338	C	24	Very low	26.9	Very low	125 Å²	125	142.5 Å²	142.5	85%	0.845	79%	0.788	S	S	*	*				76.7	111.9	58.5	-60.7	0	0	0	0	115.4
1339	L	26.1	Very low	27.2	Very low	178 Å²	178	141.4 Å²	141.4	93%	0.932	78%	0.782	S	S	*	*			trans	-145.9	145.7	132.4	-123	150.6	0	0	0	108.5
1340	S	25.9	Very low	27.6	Very low	98 Å²	98	137.1 Å²	137.1	69%	0.685	78%	0.781	S	S	*	*			trans	-134.1	164.5	-160.2	53.5	0	0	0	0	111.9
1341	I	27.5	Very low	27.9	Very low	168 Å²	168	142.6 Å²	142.6	86%	0.862	79%	0.786	S	S	*	*			trans	178	144.9	150.3	-96.8	152.6	0	0	0	108.8
1342	P	29.9	Very low	28.1	Very low	100 Å²	100	138.8 Å²	138.8	65%	0.649	78%	0.782	S	S	*	*				-134.2	170.9	-115.9	44.5	-33.4	0	0	0	119.4
1343	N	26	Very low	28.2	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	78%	0.784	S	S	*	*			trans	28.5	131.7	144.1	-55.6	-0.1	0	0	0	122.6
1344	V	28.5	Very low	28.2	Very low	149 Å²	149	143.7 Å²	143.7	90%	0.903	79%	0.794	S	S	*	*				-134	149.9	123.9	-176.4	0	0	0	0	108.6
1345	N	27.4	Very low	28.2	Very low	115 Å²	115	141.5 Å²	141.5	62%	0.615	79%	0.787	S	S	*	*			trans	-104.1	176.8	-171	-66.3	-18.7	0	0	0	112.2
1346	F	28.6	Very low	28.4	Very low	175 Å²	175	142.2 Å²	142.2	77%	0.768	79%	0.79	S	S	*	*			cis	-159.7	-169.4	-1	-130.1	-46.9	0	0	0	110.8
1347	T	30.6	Very low	28.4	Very low	116 Å²	116	144.6 Å²	144.6	71%	0.712	79%	0.792	S	S	*	*			trans	77.4	96.3	158.4	47.4	0	0	0	0	123.2
1348	D	31.8	Very low	28.4	Very low	124 Å²	124	143.9 Å²	143.9	66%	0.663	79%	0.786	S	S	*	*				83.8	112.7	110.7	-71.1	29.9	0	0	0	126
1349	N	29.2	Very low	28.5	Very low	134 Å²	134	144.2 Å²	144.2	72%	0.717	79%	0.787	S	S	*	*				71.2	107.3	127.1	-59.5	-31.1	0	0	0	123.4
1350	T	33.4	Very low	28.6	Very low	154 Å²	154	142 Å²	142	95%	0.945	77%	0.774	S	S	*	*				-165.2	160.3	125.4	10.2	0	0	0	0	111.5
1351	Q	29.3	Very low	28.7	Very low	192 Å²	192	143 Å²	143	90%	0.897	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-94.8	159.6	-171.2	-83.6	-170	-0.8	0	0	115.2
1352	P	29	Very low	28.5	Very low	122 Å²	122	141.4 Å²	141.4	79%	0.792	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-97.4	154.5	-161	37.2	-36.5	0	0	0	116.2
1353	Q	28	Very low	28.3	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-99.3	149.5	165.2	-69.3	-172.8	-7.6	0	0	112
1354	M	24.8	Very low	28.3	Very low	197 Å²	197	143.4 Å²	143.4	97%	0.97	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.4	135.7	-179.8	-63.3	-177.1	-175.5	0	0	113.1
1355	V	28.5	Very low	28.2	Very low	120 Å²	120	144.5 Å²	144.5	73%	0.727	78%	0.782	S	S	*	*			trans	-122.3	134.1	171.4	179.3	0	0	0	0	108.9
1356	P	29.5	Very low	28.3	Very low	103 Å²	103	144.3 Å²	144.3	67%	0.669	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-67.4	138.5	179.4	27.3	-34.4	0	0	0	112
1357	I	30.7	Very low	28.4	Very low	164 Å²	164	143 Å²	143	84%	0.841	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81.7	127.5	-164.5	-66.8	171.3	0	0	0	112
1358	K	28.1	Very low	28.2	Very low	164 Å²	164	144.8 Å²	144.8	71%	0.713	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-69.9	140.3	164.8	-67.5	177.4	179.6	176.4	0	109.7	I1360	K1358-I1360 VanDerWaalsContact C-N 3.3Å; K1358-I1360 HydrophobicContact CB-CG1 4.18Å; K1358-I1360 PolarHBondContact O-N 2.8Å
1359	P	25.8	Very low	28.1	Very low	133 Å²	133	149.1 Å²	149.1	86%	0.864	81%	0.805	S	S	*	*			trans	-71.5	87.2	167.3	30.8	-33.5	0	0	0	109.7
1360	I	29	Very low	27.9	Very low	131 Å²	131	149.2 Å²	149.2	67%	0.672	81%	0.806	S	S	*	*			trans	-80.2	127.1	173.5	-67.2	172	0	0	0	108.2	K1358 V1362	K1358-I1360 VanDerWaalsContact C-N 3.3Å; K1358-I1360 HydrophobicContact CB-CG1 4.18Å; K1358-I1360 PolarHBondContact O-N 2.8Å; I1360-V1362 PolarHBondContact O-N 2.92Å; I1360-V1362 VanDerWaalsContact O-N 3.17Å
1361	C	26.2	Very low	27.6	Very low	120 Å²	120	147.3 Å²	147.3	81%	0.811	80%	0.799	S	S	*	*			trans	-64.9	113.1	167.7	-66.8	0	0	0	0	108.9	S1363	C1361-S1363 PolarHBondContact O-N 3.12Å
1362	V	24.5	Very low	27.5	Very low	133 Å²	133	145.8 Å²	145.8	81%	0.806	80%	0.795	S	S	*	*			trans	-73	94.5	174.6	179.9	0	0	0	0	108.9	I1360 M1364	I1360-V1362 PolarHBondContact O-N 2.92Å; I1360-V1362 VanDerWaalsContact O-N 3.17Å; V1362-M1364 PolarHBondContact O-N 3.21Å
1363	S	26.6	Very low	27.4	Very low	95 Å²	95	146.9 Å²	146.9	66%	0.664	80%	0.795	S	S	*	*			trans	-75.4	112.3	165.2	51.7	0	0	0	0	109.5	C1361 Q1365	C1361-S1363 PolarHBondContact O-N 3.12Å; S1363-Q1365 PolarHBondContact O-N 3.21Å
1364	M	25.7	Very low	27.2	Very low	181 Å²	181	141.2 Å²	141.2	89%	0.892	78%	0.776	S	S	*	*			trans	-72.7	111.9	167.7	-79.3	176.7	62.4	0	0	110.5	V1362	V1362-M1364 PolarHBondContact O-N 3.21Å
1365	Q	26	Very low	27.3	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.804	76%	0.756	S	S	*	*			trans	-115.6	165.2	149.1	-54.2	-180	-83.9	0	0	105.5	S1363	S1363-Q1365 PolarHBondContact O-N 3.21Å
1366	V	28.4	Very low	27.2	Very low	110 Å²	110	138.6 Å²	138.6	67%	0.667	76%	0.76	S	S	*	*			cis	-150.4	144.9	27.1	174.1	0	0	0	0	109.3	Q1368	V1366-Q1368 HydrophobicContact CG1-CG 3.81Å
1367	T	30.7	Very low	27	Very low	147 Å²	147	140.8 Å²	140.8	90%	0.902	77%	0.766	S	S	*	*			trans	-130.5	147.6	136.1	39.7	0	0	0	0	108.3
1368	Q	27.8	Very low	26.7	Very low	154 Å²	154	135.9 Å²	135.9	72%	0.72	74%	0.743	S	S	*	*			trans	-96	149.4	-158.1	-62.1	158.5	-67.3	0	0	113.4	V1366	V1366-Q1368 HydrophobicContact CG1-CG 3.81Å
1369	F	28.2	Very low	26.4	Very low	216 Å²	216	135 Å²	135	95%	0.947	75%	0.745	S	S	*	*			trans	-142.8	138.1	140.7	-121.3	-85.2	0	0	0	109.5
1370	N	26.3	Very low	26.2	Very low	136 Å²	136	133 Å²	133	73%	0.727	73%	0.734	S	S	*	*			trans	-94	143	-169.3	-63	-34.7	0	0	0	112.4
1371	S	27.1	Very low	25.9	Very low	114 Å²	114	133 Å²	133	80%	0.797	74%	0.74	S	S	*	*			trans	-166.3	108.8	140.8	4.1	0	0	0	0	113.7
1372	L	27.3	Very low	25.8	Very low	159 Å²	159	131.8 Å²	131.8	83%	0.832	73%	0.733	S	S	*	*			trans	49.7	95.6	132.6	-68.4	151.8	0	0	0	120.1
1373	N	26	Very low	25.9	Very low	145 Å²	145	132.9 Å²	132.9	78%	0.775	74%	0.735	S	S	*	*				7	135.6	128.9	-53.6	-1.6	0	0	0	118.8
1374	C	24.3	Very low	25.8	Very low	72 Å²	72	135.3 Å²	135.3	49%	0.486	74%	0.739	S	S	.	*			trans	-159	137.3	139.6	-96	0	0	0	0	110.7	T234 G235	T234-C1374 VanDerWaalsContact CA-SG 3.59Å; G235-C1374 PolarHBondContact N-SG 3.45Å
1375	D	25.7	Very low	25.7	Very low	103 Å²	103	131.3 Å²	131.3	55%	0.551	73%	0.728	S	S	*	*			trans	-74.1	141.6	177.4	-55.6	-90	0	0	0	113.1
1376	I	27.2	Very low	25.5	Very low	159 Å²	159	130.4 Å²	130.4	82%	0.815	73%	0.728	S	S	*	*			trans	-135.5	94.8	150.8	-55.9	-178.2	0	0	0	108.5
1377	N	26.2	Very low	25.4	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	74%	0.738	S	S	*	*			trans	-128.1	58.2	171	-138.5	-3.9	0	0	0	110.1
1378	T	23.4	Very low	25.1	Very low	60 Å²	60	134.5 Å²	134.5	37%	0.368	73%	0.73	S	S	.	*			trans	-153.5	106.2	168.4	8.5	0	0	0	0	112.9	L231	L231-T1378 HydrophobicContact CD1-CG2 4.32Å; L231-T1378 HydrophobicContact CD2-CG2 3.65Å; L231-T1378 WeakPolarHBondContact CD2-OG1 3.19Å; L231-T1378 HydrophobicContact CG-CG2 4.47Å
1379	I	22.2	Very low	24.9	Very low	147 Å²	147	131 Å²	131	75%	0.754	72%	0.72	S	S	*	*				32.4	108.7	110.5	-55.7	166.7	0	0	0	116.7
1380	S	22	Very low	24.7	Very low	89 Å²	89	124.2 Å²	124.2	62%	0.622	69%	0.694	S	S	*	*			trans	70.8	146.3	143.9	82.1	0	0	0	0	121.1
1381	T	22.6	Very low	24.6	Very low	131 Å²	131	121.3 Å²	121.3	80%	0.804	68%	0.681	S	S	*	*			trans	63.6	145.8	163.1	65.4	0	0	0	0	117.3
1382	S	23.5	Very low	24.5	Very low	96 Å²	96	117.5 Å²	117.5	67%	0.671	66%	0.655	S	S	*	*			cis	-166.4	126.5	-20.8	46.8	0	0	0	0	108.7
1383	N	25.9	Very low	24.5	Very low	155 Å²	155	116.2 Å²	116.2	83%	0.829	66%	0.656	S	S	*	*	S	Bend	trans	-175.1	129	153.9	-93.1	-32.5	0	0	0	108
1384	L	24.9	Very low	24.5	Very low	146 Å²	146	111.6 Å²	111.6	76%	0.764	63%	0.633	S	S	*	*	S	Bend	cis	-150.9	141.7	1.3	-176.2	63.1	0	0	0	110.7
1385	C	24.6	Very low	24.5	Very low	97 Å²	97	113.8 Å²	113.8	66%	0.655	64%	0.64	S	S	*	*			trans	51.4	99.9	172.5	-64.8	0	0	0	0	117.7
1386	L	21.7	Very low	24.5	Very low	153 Å²	153	113.5 Å²	113.5	80%	0.801	65%	0.646	S	S	*	*				66.9	106.7	76.9	-66.3	163.7	0	0	0	113.8
1387	Y	26.5	Very low	24.3	Very low	222 Å²	222	112.2 Å²	112.2	87%	0.871	64%	0.64	S	S	*	*				-171	143	105.7	-112.2	-82.7	0	0	0	112.1
1388	T	23.8	Very low	24.1	Very low	122 Å²	122	118.1 Å²	118.1	75%	0.748	65%	0.651	S	S	*	*			trans	-82.1	176.2	162.5	50	0	0	0	0	109.6
1389	P	24.3	Very low	24	Very low	79 Å²	79	119.6 Å²	119.6	51%	0.513	66%	0.664	S	S	.	*			cis	-132.4	-140.3	3.7	44	-25.2	0	0	0	111.9	K1096 T1391	K1096-P1389 PolarHBondContact NZ-O 3Å; P1389-T1391 PolarHBondContact O-OG1 2.82Å
1390	N	22.3	Very low	23.9	Very low	74 Å²	74	118.7 Å²	118.7	40%	0.396	67%	0.669	S	S	.	*			trans	-50.8	122.6	167.4	-56.2	1.6	0	0	0	112.1	E1095	E1095-N1390 PolarHBondContact OE1-ND2 3.43Å
1391	T	25.9	Very low	24	Very low	75 Å²	75	120.9 Å²	120.9	46%	0.46	68%	0.679	S	S	.	*			trans	-169.4	97	-170.9	27.1	0	0	0	0	116	K1096 D1097 P1389	K1096-T1391 VanDerWaalsContact CB-C 3.46Å; K1096-T1391 VanDerWaalsContact CB-N 3.27Å; K1096-T1391 VanDerWaalsContact CD-N 3.26Å; K1096-T1391 WeakPolarHBondContact CD-O 3.36Å; K1096-T1391 PolarHBondContact NZ-OG1 3.34Å; D1097-T1391 VanDerWaalsContact CG-CA 3.49Å; D1097-T1391 VanDerWaalsContact N-N 3.15Å; D1097-T1391 VanDerWaalsContact OD2-C 3.31Å; D1097-T1391 WeakPolarHBondContact OD2-CA 3.27Å; P1389-T1391 PolarHBondContact O-OG1 2.82Å
1392	S	24.8	Very low	24	Very low	34 Å²	34	121.4 Å²	121.4	24%	0.238	68%	0.677	C	S	.	*			trans	-107.9	176.2	-155.8	73.8	0	0	0	0	114.7	K1096 D1097 V1394	K1096-S1392 VanDerWaalsContact C-CB 3.45Å; K1096-S1392 VanDerWaalsContact CB-CB 3.48Å; D1097-S1392 PolarHBondContact O-OG 3.42Å; D1097-S1392 WeakPolarHBondContact OD1-CA 3.5Å; D1097-S1392 WeakPolarHBondContact OD1-CB 3.48Å; D1097-S1392 PolarHBondContact OD1-N 3.1Å; D1097-S1392 PolarHBondContact OD1-OG 2.68Å; D1097-S1392 PolarHBondContact OD2-N 3.43Å; S1392-V1394 VanDerWaalsContact C-N 3.34Å; S1392-V1394 VanDerWaalsContact OG-CB 3.29Å; S1392-V1394 WeakPolarHBondContact OG-CB 3.44Å; S1392-V1394 VanDerWaalsContact OG-CG2 3.26Å; S1392-V1394 WeakPolarHBondContact OG-CG2 3.28Å; S1392-V1394 PolarHBondContact OG-N 2.94Å
1393	P	27.3	Very low	24	Very low	132 Å²	132	123.2 Å²	123.2	86%	0.857	68%	0.679	S	S	*	*			trans	-96.1	50.3	154.6	38	-32.6	0	0	0	111.5	N1395	P1393-N1395 PolarHBondContact O-N 3.41Å
1394	V	24.7	Very low	24	Very low	49 Å²	49	124.8 Å²	124.8	30%	0.297	68%	0.675	S	S	.	*			trans	-53.2	117.4	147.7	155.6	0	0	0	0	106.9	W1098 S1392	W1098-V1394 HydrophobicContact CD2-CG1 4.09Å; W1098-V1394 VanDerWaalsContact CE2-CG1 3.47Å; W1098-V1394 HydrophobicContact CH2-CG1 4Å; W1098-V1394 HydrophobicContact CZ2-CG1 3.43Å; W1098-V1394 VanDerWaalsContact CZ2-CG1 3.43Å; S1392-V1394 VanDerWaalsContact C-N 3.34Å; S1392-V1394 VanDerWaalsContact OG-CB 3.29Å; S1392-V1394 WeakPolarHBondContact OG-CB 3.44Å; S1392-V1394 VanDerWaalsContact OG-CG2 3.26Å; S1392-V1394 WeakPolarHBondContact OG-CG2 3.28Å; S1392-V1394 PolarHBondContact OG-N 2.94Å
1395	N	25	Very low	24	Very low	117 Å²	117	122.2 Å²	122.2	63%	0.626	66%	0.661	S	S	*	*				-178.1	113.7	122.1	-102.6	-66.2	0	0	0	113.1	P1393	P1393-N1395 PolarHBondContact O-N 3.41Å
1396	S	25	Very low	24	Very low	98 Å²	98	122.7 Å²	122.7	69%	0.685	65%	0.654	S	S	*	*			trans	68.3	163	141.1	82.3	0	0	0	0	118
1397	I	22.6	Very low	24.2	Very low	132 Å²	132	119 Å²	119	68%	0.677	64%	0.635	S	S	*	*			cis	-128.5	106.9	2.3	-51.1	163.9	0	0	0	108.9
1398	W	22.2	Very low	24.1	Very low	272 Å²	272	112.1 Å²	112.1	100%	1.03	61%	0.608	S	S	*	*			trans	-136.9	41.5	156.1	-113.2	78	0	0	0	110.9
1399	S	21.5	Very low	24.2	Very low	92 Å²	92	111.9 Å²	111.9	64%	0.643	59%	0.594	S	S	*	*	S	Bend	trans	-119.3	138	162.3	52.5	0	0	0	0	109.2	T1401	S1399-T1401 PolarHBondContact O-N 3.47Å
1400	C	21.3	Very low	24.3	Very low	128 Å²	128	112 Å²	112	87%	0.865	59%	0.593	S	S	*	*			trans	-49.1	123.4	-166.2	-54.7	0	0	0	0	115.6
1401	T	22.7	Very low	24.5	Very low	135 Å²	135	112.6 Å²	112.6	83%	0.828	60%	0.596	S	S	*	*				-158.4	153.8	124.3	2.8	0	0	0	0	112.5	S1399 D1403	S1399-T1401 PolarHBondContact O-N 3.47Å; T1401-D1403 PolarHBondContact O-N 3.05Å
1402	N	22.9	Very low	24.5	Very low	142 Å²	142	111.3 Å²	111.3	76%	0.759	59%	0.59	S	S	*	*			trans	-56.5	128.1	170.1	-43.1	-47.9	0	0	0	110
1403	D	23.5	Very low	24.5	Very low	133 Å²	133	116.5 Å²	116.5	71%	0.711	62%	0.615	S	S	*	*				175.3	138.7	97.4	-94.4	-21.1	0	0	0	116	T1401	T1401-D1403 PolarHBondContact O-N 3.05Å
1404	Y	25.3	Very low	24.4	Very low	189 Å²	189	121.9 Å²	121.9	74%	0.741	62%	0.618	S	S	*	*			trans	62	99.4	141.3	-77.1	-119.8	0	0	0	122.3
1405	N	25.7	Very low	24.4	Very low	91 Å²	91	125.1 Å²	125.1	49%	0.487	64%	0.638	S	S	.	*				86.8	104.7	104.1	-167.3	-1.8	0	0	0	119	K312	K312-N1405 WeakPolarHBondContact CE-O 3.32Å; K312-N1405 PolarHBondContact NZ-O 3.24Å
1406	H	25.5	Very low	24.5	Very low	107 Å²	107	130.1 Å²	130.1	50%	0.495	65%	0.649	S	S	.	*			trans	56.8	134.6	148.5	-88.2	-79.9	0	0	0	124	K312	K312-H1406 HydrophobicContact CD-CB 4.06Å; K312-H1406 WeakPolarHBondContact CD-O 3.42Å
1407	N	24.7	Very low	24.4	Very low	76 Å²	76	132.7 Å²	132.7	41%	0.406	65%	0.65	S	S	.	*			trans	86.6	135.2	138.1	-69.4	-7.5	0	0	0	121.7	K312	K312-N1407 HydrophobicContact CB-CB 4.05Å
1408	R	25.3	Very low	24.6	Very low	78 Å²	78	133.2 Å²	133.2	29%	0.294	66%	0.659	S	S	.	*			trans	79.3	151.6	153.8	-73.8	166.7	151.4	-171.7	-13.6	117.2	K312 F313	K312-R1408 PolarHBondContact O-NH1 3.09Å; F313-R1408 VanDerWaalsContact C-CZ 3.4Å; F313-R1408 VanDerWaalsContact CA-CZ 3.49Å; F313-R1408 HydrophobicContact CD2-CG 4.3Å; F313-R1408 HydrophobicContact CE2-CG 4.36Å; F313-R1408 PolarHBondContact O-NH1 3.23Å; F313-R1408 VanDerWaalsContact O-NH1 3.15Å; F313-R1408 PolarHBondContact O-NH2 2.89Å
1409	Y	26.5	Very low	24.9	Very low	116 Å²	116	125.8 Å²	125.8	46%	0.455	64%	0.636	S	S	.	*			cis	-147.6	-174.1	2.4	-126.1	-36.7	0	0	0	113.9	F313	F313-Y1409 HydrophobicContact CE2-CE1 4.23Å; F313-Y1409 HydrophobicContact CZ-CE1 4.3Å; F313-Y1409 VanDerWaalsContact CZ-OH 3.3Å; F313-Y1409 WeakPolarHBondContact CZ-OH 3.37Å
1410	T	26.2	Very low	25	Very low	81 Å²	81	124.7 Å²	124.7	50%	0.497	64%	0.639	S	S	.	*			trans	-136.6	158	-168.9	54.9	0	0	0	0	113.2
1411	L	26.3	Very low	25.3	Very low	88 Å²	88	122.3 Å²	122.3	46%	0.461	62%	0.624	S	S	.	*			trans	75.4	112	144.7	-155	147.7	0	0	0	119.8	Y271 S272	Y271-L1411 WeakPolarHBondContact CD1-O 3.41Å; Y271-L1411 VanDerWaalsContact CE1-N 3.29Å; S272-L1411 VanDerWaalsContact CA-O 3.27Å; S272-L1411 WeakPolarHBondContact CA-O 3.2Å; S272-L1411 WeakPolarHBondContact CB-O 3.41Å; S272-L1411 PolarHBondContact N-O 2.85Å; S272-L1411 VanDerWaalsContact N-O 3.16Å
1412	S	25.5	Very low	25.7	Very low	48 Å²	48	120.2 Å²	120.2	34%	0.336	61%	0.608	S	S	.	*				-173.6	124.5	112.5	52.8	0	0	0	0	116.9	S272	S272-S1412 PolarHBondContact N-OG 2.97Å
1413	N	24.9	Very low	26.2	Very low	142 Å²	142	120.7 Å²	120.7	76%	0.759	61%	0.61	S	S	*	*			trans	49.4	116.4	135.2	-53.5	-11.8	0	0	0	122.1
1414	R	25.8	Very low	26.8	Very low	246 Å²	246	120.4 Å²	120.4	93%	0.928	61%	0.608	S	S	*	*				-145.3	153	110.4	-106.1	176.8	-155.2	-162.3	7.3	110.8
1415	V	23.9	Very low	27.1	Very low	117 Å²	117	115.5 Å²	115.5	71%	0.709	59%	0.592	S	S	*	*			trans	-100	130.2	-172.3	174.7	0	0	0	0	110.2
1416	Y	26.7	Very low	27.7	Very low	222 Å²	222	115.4 Å²	115.4	87%	0.871	59%	0.59	S	S	*	*			trans	-123.5	138.6	154.2	-85.4	-83.4	0	0	0	110.1	V1418	Y1416-V1418 PolarHBondContact O-N 3.21Å
1417	H	23.6	Very low	28.1	Very low	151 Å²	151	116 Å²	116	70%	0.699	60%	0.597	S	S	*	*			trans	-71.6	112.1	-179.6	-96.4	-118.6	0	0	0	110.7
1418	V	26.6	Very low	28.7	Very low	143 Å²	143	116.1 Å²	116.1	87%	0.867	60%	0.598	S	S	*	*			trans	-104	101.5	147.6	-177.8	0	0	0	0	105.9	Y1416	Y1416-V1418 PolarHBondContact O-N 3.21Å
1419	Q	27.8	Very low	29.2	Very low	117 Å²	117	116 Å²	116	55%	0.547	61%	0.605	S	S	.	*			trans	-69.5	136.6	179.6	-73.2	177.7	-84	0	0	110	K624 S1421	K624-Q1419 PolarHBondContact O-NE2 3.47Å; Q1419-S1421 PolarHBondContact O-N 3.24Å; Q1419-S1421 VanDerWaalsContact O-N 3.07Å
1420	G	25	Very low	29.8	Very low	69 Å²	69	114.4 Å²	114.4	71%	0.711	61%	0.605	S	S	*	*			trans	-71.6	101.3	-171.9	0	0	0	0	0	114.3
1421	S	27.1	Very low	30.4	Very low	77 Å²	77	116.7 Å²	116.7	54%	0.538	61%	0.61	S	S	.	*			trans	-106.6	-157.7	149.5	47.7	0	0	0	0	109.9	Q1419 L1423	Q1419-S1421 PolarHBondContact O-N 3.24Å; Q1419-S1421 VanDerWaalsContact O-N 3.07Å; S1421-L1423 PolarHBondContact O-N 2.84Å
1422	N	31.7	Very low	31	Very low	92 Å²	92	115.9 Å²	115.9	49%	0.492	61%	0.605	S	S	.	*	S	Bend	trans	76	-34.5	165.5	-55.9	61.5	0	0	0	119.5	E1425 I1426	N1422-E1425 WeakPolarHBondContact CA-OE2 3.03Å; N1422-E1425 PolarHBondContact ND2-OE2 3.32Å; N1422-E1425 VanDerWaalsContact ND2-OE2 3.13Å; N1422-E1425 WeakPolarHBondContact O-CB 3.45Å; N1422-E1425 PolarHBondContact O-N 3.41Å; N1422-E1425 PolarHBondContact OD1-OE2 3.16Å; N1422-I1426 PolarHBondContact O-N 3.45Å
1423	L	33.6	Very low	31.6	Very low	152 Å²	152	121.8 Å²	121.8	80%	0.796	62%	0.62	S	S	*	*	H	α-helix	trans	-73.4	-38.9	174	-100.5	87.5	0	0	0	113.5	S1421 E1425 I1426	S1421-L1423 PolarHBondContact O-N 2.84Å; L1423-E1425 PolarHBondContact O-N 2.85Å; L1423-I1426 PolarHBondContact O-N 3.47Å
1424	N	34.1	Very low	32.4	Very low	127 Å²	127	119.9 Å²	119.9	68%	0.679	61%	0.61	S	S	*	*	H	α-helix	trans	-71.8	-19.8	169.9	-77.3	-21.9	0	0	0	112.2	I1426 L1428	N1424-I1426 VanDerWaalsContact C-N 3.32Å; N1424-I1426 PolarHBondContact O-N 2.67Å; N1424-L1428 WeakPolarHBondContact O-CB 3.43Å; N1424-L1428 PolarHBondContact O-N 3.22Å
1425	E	33.5	Very low	33.3	Very low	85 Å²	85	111.5 Å²	111.5	40%	0.397	58%	0.583	S	S	.	*	H	α-helix	trans	-70.2	-26.4	175.6	-60.9	-175.9	156.5	0	0	112.1	N1422 L1423 N1427 L1428 T1429	N1422-E1425 WeakPolarHBondContact CA-OE2 3.03Å; N1422-E1425 PolarHBondContact ND2-OE2 3.32Å; N1422-E1425 VanDerWaalsContact ND2-OE2 3.13Å; N1422-E1425 WeakPolarHBondContact O-CB 3.45Å; N1422-E1425 PolarHBondContact O-N 3.41Å; N1422-E1425 PolarHBondContact OD1-OE2 3.16Å; L1423-E1425 PolarHBondContact O-N 2.85Å; E1425-N1427 PolarHBondContact O-N 3.43Å; E1425-L1428 PolarHBondContact O-N 2.87Å; E1425-T1429 HydrophobicContact CB-CG2 4.49Å; E1425-T1429 WeakPolarHBondContact O-CA 3.32Å; E1425-T1429 WeakPolarHBondContact O-CB 3.29Å; E1425-T1429 WeakPolarHBondContact O-CG2 3.31Å; E1425-T1429 PolarHBondContact O-N 3.41Å; E1425-T1429 PolarHBondContact O-OG1 2.86Å
1426	I	37	Very low	34.2	Very low	90 Å²	90	108.7 Å²	108.7	46%	0.462	57%	0.565	S	S	.	*	H	α-helix	trans	-67.4	-39.1	178.5	-63.1	172.7	0	0	0	111.1	N1422 L1423 N1424 T1429 N1430	N1422-I1426 PolarHBondContact O-N 3.45Å; L1423-I1426 PolarHBondContact O-N 3.47Å; N1424-I1426 VanDerWaalsContact C-N 3.32Å; N1424-I1426 PolarHBondContact O-N 2.67Å; I1426-T1429 PolarHBondContact O-OG1 3.36Å; I1426-N1430 WeakPolarHBondContact O-CB 3.17Å; I1426-N1430 PolarHBondContact O-N 3Å; I1426-N1430 VanDerWaalsContact O-N 3.16Å; I1426-N1430 PolarHBondContact O-ND2 3.1Å; I1426-N1430 VanDerWaalsContact O-ND2 3.07Å
1427	N	33.8	Very low	34.9	Very low	119 Å²	119	102.7 Å²	102.7	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-73.5	-43.1	171.5	-87.4	-18.5	0	0	0	112	E1425 T1429 N1430 E1431	E1425-N1427 PolarHBondContact O-N 3.43Å; N1427-T1429 VanDerWaalsContact C-N 3.33Å; N1427-T1429 PolarHBondContact O-N 2.91Å; N1427-N1430 PolarHBondContact O-N 3.32Å; N1427-E1431 PolarHBondContact O-N 3.21Å
1428	L	37.3	Very low	35.7	Very low	79 Å²	79	103.5 Å²	103.5	41%	0.414	54%	0.544	S	S	.	.	H	α-helix	trans	-66.1	-34.7	179.6	-162	75.7	0	0	0	112	N1424 E1425 L1432	N1424-L1428 WeakPolarHBondContact O-CB 3.43Å; N1424-L1428 PolarHBondContact O-N 3.22Å; E1425-L1428 PolarHBondContact O-N 2.87Å; L1428-L1432 HydrophobicContact CD2-CD1 4.07Å; L1428-L1432 HydrophobicContact CG-CD1 3.86Å; L1428-L1432 HydrophobicContact CG-CG 4.31Å; L1428-L1432 WeakPolarHBondContact O-CA 3.3Å; L1428-L1432 WeakPolarHBondContact O-CB 3.24Å; L1428-L1432 WeakPolarHBondContact O-CD1 3.32Å; L1428-L1432 WeakPolarHBondContact O-CG 3.45Å; L1428-L1432 PolarHBondContact O-N 2.94Å
1429	T	37.1	Very low	36.5	Very low	75 Å²	75	101 Å²	101	46%	0.46	53%	0.526	S	S	.	.	H	α-helix	trans	-75.6	-30.1	175.3	55.4	0	0	0	0	112.2	E1425 I1426 N1427 R1433	E1425-T1429 HydrophobicContact CB-CG2 4.49Å; E1425-T1429 WeakPolarHBondContact O-CA 3.32Å; E1425-T1429 WeakPolarHBondContact O-CB 3.29Å; E1425-T1429 WeakPolarHBondContact O-CG2 3.31Å; E1425-T1429 PolarHBondContact O-N 3.41Å; E1425-T1429 PolarHBondContact O-OG1 2.86Å; I1426-T1429 PolarHBondContact O-OG1 3.36Å; N1427-T1429 VanDerWaalsContact C-N 3.33Å; N1427-T1429 PolarHBondContact O-N 2.91Å; T1429-R1433 WeakPolarHBondContact O-CA 3.31Å; T1429-R1433 WeakPolarHBondContact O-CB 3.31Å; T1429-R1433 PolarHBondContact O-N 3.44Å
1430	N	37.5	Very low	37.2	Very low	82 Å²	82	100.3 Å²	100.3	44%	0.439	52%	0.523	S	S	.	.	H	α-helix	trans	-71	-42.8	171	-78.3	-36.5	0	0	0	111.9	I1426 N1427 R1433 N1434	I1426-N1430 WeakPolarHBondContact O-CB 3.17Å; I1426-N1430 PolarHBondContact O-N 3Å; I1426-N1430 VanDerWaalsContact O-N 3.16Å; I1426-N1430 PolarHBondContact O-ND2 3.1Å; I1426-N1430 VanDerWaalsContact O-ND2 3.07Å; N1427-N1430 PolarHBondContact O-N 3.32Å; N1430-R1433 PolarHBondContact O-N 3.13Å; N1430-N1434 WeakPolarHBondContact O-CB 3.15Å; N1430-N1434 PolarHBondContact O-N 3.38Å
1431	E	40.4	Very low	37.8	Very low	129 Å²	129	99.9 Å²	99.9	60%	0.603	51%	0.508	S	S	*	.	H	α-helix	trans	-59.3	-48.7	169	-76.2	-82.9	129.2	0	0	111.2	N1427 R1433 N1434 L1435	N1427-E1431 PolarHBondContact O-N 3.21Å; E1431-R1433 VanDerWaalsContact C-N 3.35Å; E1431-R1433 PolarHBondContact O-N 3.14Å; E1431-N1434 PolarHBondContact O-N 3.4Å; E1431-L1435 PolarHBondContact O-N 2.96Å
1432	L	38.7	Very low	38.6	Very low	71 Å²	71	100.3 Å²	100.3	37%	0.372	50%	0.503	S	S	.	.	H	α-helix	trans	-68.3	-28.8	179.5	-75.8	170.1	0	0	0	113	L1428 L1435 N1436	L1428-L1432 HydrophobicContact CD2-CD1 4.07Å; L1428-L1432 HydrophobicContact CG-CD1 3.86Å; L1428-L1432 HydrophobicContact CG-CG 4.31Å; L1428-L1432 WeakPolarHBondContact O-CA 3.3Å; L1428-L1432 WeakPolarHBondContact O-CB 3.24Å; L1428-L1432 WeakPolarHBondContact O-CD1 3.32Å; L1428-L1432 WeakPolarHBondContact O-CG 3.45Å; L1428-L1432 PolarHBondContact O-N 2.94Å; L1432-L1435 HydrophobicContact CD2-CD1 4.22Å; L1432-L1435 CarbonylContact O-C 3.59Å; L1432-L1435 WeakPolarHBondContact O-CB 3.21Å; L1432-L1435 PolarHBondContact O-N 2.59Å; L1432-N1436 WeakPolarHBondContact O-CB 3.4Å; L1432-N1436 PolarHBondContact O-N 3.12Å
1433	R	38.3	Very low	39	Very low	172 Å²	172	101.5 Å²	101.5	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-74.7	-36	174	-172.7	-178.4	-150.2	164.2	5.6	111.1	T1429 N1430 E1431 L1435 N1436 N1437	T1429-R1433 WeakPolarHBondContact O-CA 3.31Å; T1429-R1433 WeakPolarHBondContact O-CB 3.31Å; T1429-R1433 PolarHBondContact O-N 3.44Å; N1430-R1433 PolarHBondContact O-N 3.13Å; E1431-R1433 VanDerWaalsContact C-N 3.35Å; E1431-R1433 PolarHBondContact O-N 3.14Å; R1433-L1435 VanDerWaalsContact C-N 3.33Å; R1433-N1436 PolarHBondContact O-N 3.16Å; R1433-N1437 PolarHBondContact O-N 3.45Å; R1433-N1437 PolarHBondContact O-OD1 2.94Å
1434	N	41.1	Very low	39.7	Very low	103 Å²	103	96.7 Å²	96.7	55%	0.551	48%	0.481	S	S	*	.	H	α-helix	trans	-67.1	-36.7	169.7	-155.4	9.6	0	0	0	110.9	N1430 E1431 R1438	N1430-N1434 WeakPolarHBondContact O-CB 3.15Å; N1430-N1434 PolarHBondContact O-N 3.38Å; E1431-N1434 PolarHBondContact O-N 3.4Å; N1434-R1438 VanDerWaalsContact O-CG 3.3Å; N1434-R1438 WeakPolarHBondContact O-CG 3.45Å; N1434-R1438 PolarHBondContact O-N 2.81Å
1435	L	44.1	Very low	40.2	Very low	69 Å²	69	96.4 Å²	96.4	36%	0.361	48%	0.475	S	S	.	.	H	α-helix	trans	-67.2	-35.4	167	-85.8	160.3	0	0	0	112.9	E1431 L1432 R1433 R1438 L1439	E1431-L1435 PolarHBondContact O-N 2.96Å; L1432-L1435 HydrophobicContact CD2-CD1 4.22Å; L1432-L1435 CarbonylContact O-C 3.59Å; L1432-L1435 WeakPolarHBondContact O-CB 3.21Å; L1432-L1435 PolarHBondContact O-N 2.59Å; R1433-L1435 VanDerWaalsContact C-N 3.33Å; L1435-R1438 CarbonylContact O-C 3.6Å; L1435-R1438 WeakPolarHBondContact O-CA 3.42Å; L1435-R1438 WeakPolarHBondContact O-CB 3.33Å; L1435-R1438 PolarHBondContact O-N 2.93Å; L1435-R1438 VanDerWaalsContact O-N 3.07Å; L1435-L1439 WeakPolarHBondContact O-CD1 3.14Å; L1435-L1439 PolarHBondContact O-N 2.83Å
1436	N	42.4	Very low	40.7	Very low	59 Å²	59	98.8 Å²	98.8	32%	0.316	49%	0.485	S	S	.	.	H	α-helix	trans	-68.2	-44	179.5	-145	82.6	0	0	0	110.5	L1432 R1433 R1438 L1439 E1440	L1432-N1436 WeakPolarHBondContact O-CB 3.4Å; L1432-N1436 PolarHBondContact O-N 3.12Å; R1433-N1436 PolarHBondContact O-N 3.16Å; N1436-R1438 PolarHBondContact O-N 2.83Å; N1436-L1439 PolarHBondContact O-N 2.72Å; N1436-E1440 WeakPolarHBondContact O-CG 3.14Å; N1436-E1440 PolarHBondContact O-N 2.74Å
1437	N	41.7	Very low	41.4	Very low	95 Å²	95	97.5 Å²	97.5	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-59.2	-27.6	170.3	-64.1	-1	0	0	0	112.2	R1433	R1433-N1437 PolarHBondContact O-N 3.45Å; R1433-N1437 PolarHBondContact O-OD1 2.94Å
1438	R	41.9	Very low	42	Very low	169 Å²	169	95.5 Å²	95.5	64%	0.638	47%	0.467	S	S	*	.	H	α-helix	trans	-85.2	-28.1	173.1	-68.5	177.3	77.3	-179.1	4.9	113	N1434 L1435 N1436 C1441 I1442	N1434-R1438 VanDerWaalsContact O-CG 3.3Å; N1434-R1438 WeakPolarHBondContact O-CG 3.45Å; N1434-R1438 PolarHBondContact O-N 2.81Å; L1435-R1438 CarbonylContact O-C 3.6Å; L1435-R1438 WeakPolarHBondContact O-CA 3.42Å; L1435-R1438 WeakPolarHBondContact O-CB 3.33Å; L1435-R1438 PolarHBondContact O-N 2.93Å; L1435-R1438 VanDerWaalsContact O-N 3.07Å; N1436-R1438 PolarHBondContact O-N 2.83Å; R1438-C1441 WeakPolarHBondContact O-CB 3.44Å; R1438-C1441 PolarHBondContact O-N 3.43Å; R1438-I1442 VanDerWaalsContact O-CG1 3.31Å; R1438-I1442 WeakPolarHBondContact O-CG1 3.44Å; R1438-I1442 PolarHBondContact O-N 3.34Å; R1438-I1442 VanDerWaalsContact O-N 3.07Å
1439	L	42	Very low	42.4	Very low	91 Å²	91	96.2 Å²	96.2	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-75.4	-41.5	174.8	-104.5	80.5	0	0	0	111.7	L1435 N1436 C1441 I1442 E1443	L1435-L1439 WeakPolarHBondContact O-CD1 3.14Å; L1435-L1439 PolarHBondContact O-N 2.83Å; N1436-L1439 PolarHBondContact O-N 2.72Å; L1439-C1441 PolarHBondContact O-N 2.89Å; L1439-I1442 CarbonylContact O-C 3.47Å; L1439-I1442 WeakPolarHBondContact O-CA 3.47Å; L1439-I1442 WeakPolarHBondContact O-CB 3.43Å; L1439-I1442 PolarHBondContact O-N 2.69Å; L1439-E1443 PolarHBondContact O-N 3.05Å
1440	E	43.2	Very low	42.8	Very low	102 Å²	102	99.1 Å²	99.1	48%	0.477	48%	0.477	S	S	.	.	H	α-helix	trans	-55.2	-38	168.4	-73.5	175.3	-174.9	0	0	110.3	N1436 I1442 E1443 L1444	N1436-E1440 WeakPolarHBondContact O-CG 3.14Å; N1436-E1440 PolarHBondContact O-N 2.74Å; E1440-I1442 VanDerWaalsContact C-N 3.31Å; E1440-I1442 PolarHBondContact O-N 2.72Å; E1440-E1443 PolarHBondContact O-N 2.81Å; E1440-L1444 VanDerWaalsContact O-CB 3.31Å; E1440-L1444 WeakPolarHBondContact O-CB 3.26Å; E1440-L1444 PolarHBondContact O-N 3.21Å
1441	C	37.7	Very low	43.3	Very low	59 Å²	59	100.2 Å²	100.2	40%	0.399	48%	0.478	S	S	.	.	H	α-helix	trans	-70.5	-23.5	174.3	-153.1	0	0	0	0	113.4	R1438 L1439 Q1445	R1438-C1441 WeakPolarHBondContact O-CB 3.44Å; R1438-C1441 PolarHBondContact O-N 3.43Å; L1439-C1441 PolarHBondContact O-N 2.89Å; C1441-Q1445 WeakPolarHBondContact O-CG 3.45Å; C1441-Q1445 PolarHBondContact O-N 3.21Å
1442	I	43.4	Very low	43.4	Very low	86 Å²	86	99 Å²	99	44%	0.441	47%	0.474	S	S	.	.	H	α-helix	trans	-84.8	-37.5	173.5	-71.4	163.4	0	0	0	111.1	R1438 L1439 E1440 L1444 Q1445 F1446	R1438-I1442 VanDerWaalsContact O-CG1 3.31Å; R1438-I1442 WeakPolarHBondContact O-CG1 3.44Å; R1438-I1442 PolarHBondContact O-N 3.34Å; R1438-I1442 VanDerWaalsContact O-N 3.07Å; L1439-I1442 CarbonylContact O-C 3.47Å; L1439-I1442 WeakPolarHBondContact O-CA 3.47Å; L1439-I1442 WeakPolarHBondContact O-CB 3.43Å; L1439-I1442 PolarHBondContact O-N 2.69Å; E1440-I1442 VanDerWaalsContact C-N 3.31Å; E1440-I1442 PolarHBondContact O-N 2.72Å; I1442-L1444 VanDerWaalsContact C-N 3.34Å; I1442-Q1445 CarbonylContact O-C 3.52Å; I1442-Q1445 WeakPolarHBondContact O-CA 3.43Å; I1442-Q1445 WeakPolarHBondContact O-CB 3.4Å; I1442-Q1445 PolarHBondContact O-N 3.42Å; I1442-F1446 HydrophobicContact CG2-CD2 3.72Å; I1442-F1446 HydrophobicContact CG2-CE2 3.96Å; I1442-F1446 PolarHBondContact O-N 2.9Å
1443	E	41.1	Very low	43.8	Very low	117 Å²	117	99.6 Å²	99.6	55%	0.547	48%	0.477	S	S	.	.	H	α-helix	trans	-61.4	-43.9	169.2	-70	-173	139.6	0	0	110.5	L1439 E1440 Q1445 F1446 T1447	L1439-E1443 PolarHBondContact O-N 3.05Å; E1440-E1443 PolarHBondContact O-N 2.81Å; E1443-Q1445 PolarHBondContact O-N 2.91Å; E1443-Q1445 VanDerWaalsContact O-N 3.15Å; E1443-F1446 PolarHBondContact O-N 2.82Å; E1443-F1446 VanDerWaalsContact O-N 3.16Å; E1443-T1447 PolarHBondContact O-N 3.16Å; E1443-T1447 PolarHBondContact O-OG1 2.94Å
1444	L	46.9	Very low	44.1	Very low	52 Å²	52	96.8 Å²	96.8	27%	0.272	47%	0.472	S	S	.	.	H	α-helix	trans	-60.1	-19.3	170.5	-93.8	155.8	0	0	0	114.4	M1245 E1440 I1442 K1448	M1245-L1444 HydrophobicContact CB-CD2 3.76Å; M1245-L1444 HydrophobicContact CE-CD2 4.37Å; M1245-L1444 HydrophobicContact CE-CG 4.17Å; M1245-L1444 HydrophobicContact CG-CD2 3.59Å; M1245-L1444 HydrophobicContact CG-CG 4.35Å; M1245-L1444 HydrophobicContact SD-CD2 3.69Å; M1245-L1444 HydrophobicContact SD-CG 4.12Å; E1440-L1444 VanDerWaalsContact O-CB 3.31Å; E1440-L1444 WeakPolarHBondContact O-CB 3.26Å; E1440-L1444 PolarHBondContact O-N 3.21Å; I1442-L1444 VanDerWaalsContact C-N 3.34Å; L1444-K1448 WeakPolarHBondContact O-CB 3.41Å; L1444-K1448 WeakPolarHBondContact O-CD 3.4Å; L1444-K1448 WeakPolarHBondContact O-CG 3.33Å
1445	Q	44.7	Very low	44.1	Very low	121 Å²	121	95.3 Å²	95.3	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-88.1	-46.1	170.6	-66.8	-91.6	-25.5	0	0	111	C1441 I1442 E1443 K1448 L1449	C1441-Q1445 WeakPolarHBondContact O-CG 3.45Å; C1441-Q1445 PolarHBondContact O-N 3.21Å; I1442-Q1445 CarbonylContact O-C 3.52Å; I1442-Q1445 WeakPolarHBondContact O-CA 3.43Å; I1442-Q1445 WeakPolarHBondContact O-CB 3.4Å; I1442-Q1445 PolarHBondContact O-N 3.42Å; E1443-Q1445 PolarHBondContact O-N 2.91Å; E1443-Q1445 VanDerWaalsContact O-N 3.15Å; Q1445-K1448 WeakPolarHBondContact O-CB 3.21Å; Q1445-K1448 PolarHBondContact O-N 3.43Å; Q1445-L1449 WeakPolarHBondContact O-CB 3.29Å; Q1445-L1449 PolarHBondContact O-N 3.27Å
1446	F	45	Very low	44.1	Very low	135 Å²	135	99.5 Å²	99.5	59%	0.592	49%	0.485	S	S	*	.	H	α-helix	trans	-66.9	-45.2	-178.2	-95.3	-80.3	0	0	0	113.2	I1442 E1443 K1448 L1449 F1450	I1442-F1446 HydrophobicContact CG2-CD2 3.72Å; I1442-F1446 HydrophobicContact CG2-CE2 3.96Å; I1442-F1446 PolarHBondContact O-N 2.9Å; E1443-F1446 PolarHBondContact O-N 2.82Å; E1443-F1446 VanDerWaalsContact O-N 3.16Å; F1446-K1448 VanDerWaalsContact C-N 3.29Å; F1446-K1448 PolarHBondContact O-N 2.97Å; F1446-L1449 CarbonylContact O-C 3.52Å; F1446-L1449 WeakPolarHBondContact O-CB 3.47Å; F1446-L1449 PolarHBondContact O-N 2.82Å; F1446-L1449 VanDerWaalsContact O-N 3.11Å; F1446-F1450 PolarHBondContact O-N 3.34Å
1447	T	50.9	Low	44	Very low	63 Å²	63	104.1 Å²	104.1	39%	0.387	51%	0.505	S	S	.	.	H	α-helix	trans	-70.2	-28.8	176.6	-51.2	0	0	0	0	111.6	M1245 E1443 K1451	M1245-T1447 HydrophobicContact CE-CG2 4.06Å; M1245-T1447 VanDerWaalsContact SD-CB 3.57Å; M1245-T1447 HydrophobicContact SD-CG2 3.84Å; E1443-T1447 PolarHBondContact O-N 3.16Å; E1443-T1447 PolarHBondContact O-OG1 2.94Å; T1447-K1451 PolarHBondContact O-N 3.29Å
1448	K	46.3	Very low	43.6	Very low	77 Å²	77	109.2 Å²	109.2	34%	0.335	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-42.3	166.5	-88.3	-174.1	174	-173.6	0	111.9	L1444 Q1445 F1446 L1452	L1444-K1448 WeakPolarHBondContact O-CB 3.41Å; L1444-K1448 WeakPolarHBondContact O-CD 3.4Å; L1444-K1448 WeakPolarHBondContact O-CG 3.33Å; Q1445-K1448 WeakPolarHBondContact O-CB 3.21Å; Q1445-K1448 PolarHBondContact O-N 3.43Å; F1446-K1448 VanDerWaalsContact C-N 3.29Å; F1446-K1448 PolarHBondContact O-N 2.97Å; K1448-L1452 WeakPolarHBondContact O-CB 3.21Å; K1448-L1452 PolarHBondContact O-N 3.06Å
1449	L	47.1	Very low	43	Very low	94 Å²	94	111.5 Å²	111.5	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-64.6	-43	177.3	-165.8	75.5	0	0	0	111	Q1445 F1446 L1452 I1453	Q1445-L1449 WeakPolarHBondContact O-CB 3.29Å; Q1445-L1449 PolarHBondContact O-N 3.27Å; F1446-L1449 CarbonylContact O-C 3.52Å; F1446-L1449 WeakPolarHBondContact O-CB 3.47Å; F1446-L1449 PolarHBondContact O-N 2.82Å; F1446-L1449 VanDerWaalsContact O-N 3.11Å; L1449-L1452 CarbonylContact O-C 3.6Å; L1449-L1452 WeakPolarHBondContact O-CA 3.45Å; L1449-L1452 VanDerWaalsContact O-CB 3.31Å; L1449-L1452 WeakPolarHBondContact O-CB 3.26Å; L1449-L1452 PolarHBondContact O-N 3.04Å; L1449-L1452 VanDerWaalsContact O-N 3.09Å; L1449-I1453 HydrophobicContact CG-CD1 4.19Å; L1449-I1453 VanDerWaalsContact O-CG1 3.31Å; L1449-I1453 WeakPolarHBondContact O-CG1 3.37Å; L1449-I1453 PolarHBondContact O-N 3.41Å
1450	F	45.5	Very low	43	Very low	136 Å²	136	112.5 Å²	112.5	60%	0.596	55%	0.55	S	S	*	.	H	α-helix	trans	-60.9	-49.6	176.4	-130.9	-87	0	0	0	111.4	F1446 L1452 I1453 E1454	F1446-F1450 PolarHBondContact O-N 3.34Å; F1450-L1452 PolarHBondContact O-N 2.9Å; F1450-I1453 WeakPolarHBondContact O-CB 3.24Å; F1450-I1453 PolarHBondContact O-N 3.15Å; F1450-E1454 PolarHBondContact O-N 2.78Å
1451	K	47.1	Very low	43	Very low	105 Å²	105	113.1 Å²	113.1	46%	0.457	55%	0.553	S	S	.	*	H	α-helix	trans	-61	-30.6	172.3	-75.8	-164.7	171.2	-160.7	0	113.1	T1447 S1455	T1447-K1451 PolarHBondContact O-N 3.29Å; K1451-S1455 VanDerWaalsContact O-CB 3.26Å; K1451-S1455 WeakPolarHBondContact O-CB 3.31Å; K1451-S1455 PolarHBondContact O-N 3.42Å; K1451-S1455 PolarHBondContact O-OG 2.79Å
1452	L	41.8	Very low	43.3	Very low	102 Å²	102	116.1 Å²	116.1	53%	0.534	56%	0.562	S	S	.	*	H	α-helix	trans	-69.2	-37	174.4	-140.8	84.7	0	0	0	111.9	K1448 L1449 F1450 S1455 K1456	K1448-L1452 WeakPolarHBondContact O-CB 3.21Å; K1448-L1452 PolarHBondContact O-N 3.06Å; L1449-L1452 CarbonylContact O-C 3.6Å; L1449-L1452 WeakPolarHBondContact O-CA 3.45Å; L1449-L1452 VanDerWaalsContact O-CB 3.31Å; L1449-L1452 WeakPolarHBondContact O-CB 3.26Å; L1449-L1452 PolarHBondContact O-N 3.04Å; L1449-L1452 VanDerWaalsContact O-N 3.09Å; F1450-L1452 PolarHBondContact O-N 2.9Å; L1452-S1455 WeakPolarHBondContact CA-OG 3.41Å; L1452-S1455 PolarHBondContact O-OG 3.48Å; L1452-K1456 WeakPolarHBondContact O-CB 3.5Å; L1452-K1456 WeakPolarHBondContact O-CG 3.31Å; L1452-K1456 PolarHBondContact O-N 3.08Å
1453	I	47.4	Very low	43.3	Very low	84 Å²	84	117.8 Å²	117.8	43%	0.431	57%	0.569	S	S	.	*	H	α-helix	trans	-70.2	-48	177.2	-68.5	161.3	0	0	0	110.1	L1449 F1450 S1455 K1456 Q1457	L1449-I1453 HydrophobicContact CG-CD1 4.19Å; L1449-I1453 VanDerWaalsContact O-CG1 3.31Å; L1449-I1453 WeakPolarHBondContact O-CG1 3.37Å; L1449-I1453 PolarHBondContact O-N 3.41Å; F1450-I1453 WeakPolarHBondContact O-CB 3.24Å; F1450-I1453 PolarHBondContact O-N 3.15Å; I1453-S1455 VanDerWaalsContact C-N 3.3Å; I1453-S1455 PolarHBondContact O-N 3.23Å; I1453-K1456 CarbonylContact O-C 3.53Å; I1453-K1456 WeakPolarHBondContact O-CA 3.18Å; I1453-K1456 PolarHBondContact O-N 2.79Å; I1453-Q1457 PolarHBondContact O-N 2.69Å
1454	E	44	Very low	43.4	Very low	113 Å²	113	117.9 Å²	117.9	53%	0.528	57%	0.57	S	S	.	*	H	α-helix	trans	-56.1	-44.5	172.8	-68.6	175.3	136.1	0	0	111.2	F1450 K1456 Q1457	F1450-E1454 PolarHBondContact O-N 2.78Å; E1454-K1456 PolarHBondContact O-N 3.27Å; E1454-Q1457 PolarHBondContact O-N 3.15Å
1455	S	42.3	Very low	43.2	Very low	73 Å²	73	122.3 Å²	122.3	51%	0.51	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.6	-3.6	176.1	74.8	0	0	0	0	115.2	K1451 L1452 I1453	K1451-S1455 VanDerWaalsContact O-CB 3.26Å; K1451-S1455 WeakPolarHBondContact O-CB 3.31Å; K1451-S1455 PolarHBondContact O-N 3.42Å; K1451-S1455 PolarHBondContact O-OG 2.79Å; L1452-S1455 WeakPolarHBondContact CA-OG 3.41Å; L1452-S1455 PolarHBondContact O-OG 3.48Å; I1453-S1455 VanDerWaalsContact C-N 3.3Å; I1453-S1455 PolarHBondContact O-N 3.23Å
1456	K	43.9	Very low	43.1	Very low	157 Å²	157	122.4 Å²	122.4	68%	0.683	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	14.1	-179.6	-79.2	-166.3	166.7	-158.1	0	113.9	L1452 I1453 E1454	L1452-K1456 WeakPolarHBondContact O-CB 3.5Å; L1452-K1456 WeakPolarHBondContact O-CG 3.31Å; L1452-K1456 PolarHBondContact O-N 3.08Å; I1453-K1456 CarbonylContact O-C 3.53Å; I1453-K1456 WeakPolarHBondContact O-CA 3.18Å; I1453-K1456 PolarHBondContact O-N 2.79Å; E1454-K1456 PolarHBondContact O-N 3.27Å
1457	Q	41	Very low	42.9	Very low	156 Å²	156	121.4 Å²	121.4	73%	0.729	59%	0.592	S	S	*	*	S	Bend	trans	-113.6	19.2	165.1	-62.7	-170.5	-88.5	0	0	112	I1453 E1454	I1453-Q1457 PolarHBondContact O-N 2.69Å; E1454-Q1457 PolarHBondContact O-N 3.15Å
1458	F	32.2	Very low	42.3	Very low	202 Å²	202	126.3 Å²	126.3	89%	0.886	61%	0.609	S	S	*	*			trans	-123.4	20.8	176.8	-114	-84	0	0	0	112.3
1459	L	28.8	Very low	41.9	Very low	216 Å²	216	130.7 Å²	130.7	100%	1.131	63%	0.634	S	S	*	*			trans	-151.1	0	177.1	-114.4	172.5	0	0	0	108.4

Retrieved 1,459 of 1,459 residues in 332.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).