A0A087YMW9_POEFO Loading...

Zinc finger SWIM-type containing 6

AlphaFold DB , UniProt , Accession A0A087YMW9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 994 aa.

						>A0A087YMW9_POEFO|A0A087YMW9
GFHLSGTVTDPATPSSPELVCSVSVSFDRCKITAVTCTCGNKDIFYCAHVVALSLYRVRKPEQVKLHLPISETLFQMSRDQLQKFVQYLISVHHTEVLPTAQKLADEILSQNSEINQVHGTGAPDPTAGASVDDENCWHLDEEQVQEQVKLFLSQGGYHGSGKQLNLLFSKVREMLKMRDSNGARMLTLITEQFMADPRLALWRQQGTTMTDKYRQLWDELGGALWMCIVLNPHCKPEQKSSWLRQLRRWNSVDVCPWEDGNHVNELPNLTHSLPQGAHGNQASKMRPHRTVFTRAIEACDLHWQDRHLQHIIASDLYANYCYHDNQEGSLFDSRGWPLWHEHVPTACARVDALRSHGYPREALRLAIAVVNTLRRQQQRQLEHFRRHKKELLHKGHTSITNMEGWVGHPLDPIGTLFSTLTESGRAGEEGSNTCLDLSDCSSVVSRADLQRMPVQRLLGDGESYMALAVETALIGLGQQRVMPDGLYAQEKVCRNEEQLLAKLQEVELDDSLVKIFRKQAVFLLEAGPYSGLGEIVHRESVPMHTFARYLFTSLLPHDAELAYKIALRAMRLPVLESTASSGDLSRPHHIVSVVPNRYPRWFTLSHIESQQCELASTMLTAAKGDSRRLETVLESIQKNIHSSSHIFKLAQDAFKIATLMDSLPDITLLKVSLELGLQVMRITLSTLNWRRREMVRWLVTCATEVGVYALDSIMQSWFTLFTPTEATSIVATTVMSNSTIVRLHLDCHQQENLASSARTLALQCAMKDPQNCALSALTLCEKDHIAFETAYQIVLDAAATGMSYTQLFTIARYMEHRGYPMRAYKLATLAMAHLNLSYNQDTHPAINDVLWACALSHSLGKNELAAVIPLVVKSVKCATVLSDILRRCTLTTPGMVSALHSRRNSGKLMSLDKAPLRQLLDATIGAYINTTHSRLTHISPRHYSEFIEFLGKARETFMMAHDGHIQFTQFIDNLKQIYKGKKKLMMLVRERFG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	60.5	Low	81.6	Confident	86 Å²	86	66.7 Å²	66.7	89%	0.887	43%	0.431	S	S	*	.				0	131.4	0	0	0	0	0	0	107.6	H3	G1-H3 VanDerWaalsContact C-N 3.29Å
2	F	74.2	Confident	80.4	Confident	91 Å²	91	67.3 Å²	67.3	40%	0.399	45%	0.446	S	S	.	.			trans	-87.8	0.3	-177.3	-63.4	-82.8	0	0	0	112.9	S26 F27 A128	F2-S26 CarbonylContact O-C 3.59Å; F2-S26 WeakPolarHBondContact O-CA 3.09Å; F2-F27 WeakPolarHBondContact CD1-O 3.35Å; F2-F27 PolarHBondContact O-N 3.46Å; F2-A128 WeakPolarHBondContact CD2-O 3.44Å
3	H	83.7	Confident	79	Confident	74 Å²	74	67.5 Å²	67.5	34%	0.343	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.8	-176.6	-168	-82.1	0	0	0	110.3	G1 S24 V25	G1-H3 VanDerWaalsContact C-N 3.29Å; H3-S24 PolarHBondContact CE1-OG 3.14Å; H3-S24 PolarHBondContact NE2-OG 3.11Å; H3-V25 CarbonylContact C-O 3.57Å; H3-V25 WeakPolarHBondContact CA-O 3.43Å
4	L	87.3	Confident	77.5	Confident	18 Å²	18	73.4 Å²	73.4	9%	0.094	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.4	176.8	179.3	67.5	0	0	0	108.7	S24 V25 F27 L53 R57 V64	L4-S24 CarbonylContact O-C 3.42Å; L4-S24 WeakPolarHBondContact O-CA 3.39Å; L4-V25 HydrophobicContact CB-CB 4.4Å; L4-V25 PolarHBondContact N-O 2.64Å; L4-V25 PolarHBondContact O-N 3.4Å; L4-F27 HydrophobicContact CB-CD2 4.49Å; L4-F27 HydrophobicContact CB-CE2 3.54Å; L4-F27 HydrophobicContact CB-CZ 4.29Å; L4-F27 HydrophobicContact CD2-CE2 4.21Å; L4-F27 HydrophobicContact CD2-CZ 4.14Å; L4-L53 HydrophobicContact CD2-CD1 4.36Å; L4-L53 HydrophobicContact CD2-CD2 4.26Å; L4-L53 HydrophobicContact CD2-CG 3.83Å; L4-L53 HydrophobicContact CG-CD1 4.4Å; L4-L53 HydrophobicContact CG-CD2 4.14Å; L4-L53 HydrophobicContact CG-CG 4.12Å; L4-R57 HydrophobicContact CD1-CB 4.46Å; L4-R57 HydrophobicContact CD1-CG 4.43Å; L4-R57 HydrophobicContact CD2-CB 3.81Å; L4-R57 HydrophobicContact CD2-CG 4.16Å; L4-V64 HydrophobicContact CD1-CG1 3.98Å
5	S	88.1	Confident	76	Confident	85 Å²	85	75.8 Å²	75.8	59%	0.594	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.9	174.3	54.5	0	0	0	0	110.1	V23	S5-V23 CarbonylContact C-O 3.57Å; S5-V23 WeakPolarHBondContact CA-O 3.27Å
6	G	88.6	Confident	74.8	Confident	26 Å²	26	74.9 Å²	74.9	27%	0.268	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	163.9	175.7	0	0	0	0	0	112.6	V23	G6-V23 PolarHBondContact N-O 2.81Å; G6-V23 PolarHBondContact O-N 3.15Å
7	T	88.9	Confident	74.4	Confident	96 Å²	96	77 Å²	77	59%	0.589	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.4	172.1	48.4	0	0	0	0	109.5	V20 C21	T7-V20 HydrophobicContact CG2-CG1 4.41Å; T7-C21 CarbonylContact C-O 3.47Å; T7-C21 WeakPolarHBondContact CA-O 3.31Å
8	V	88.1	Confident	74.4	Confident	25 Å²	25	80.1 Å²	80.1	15%	0.152	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.7	177	-175.5	0	0	0	0	108.1	C21 V23 H49 A52 L53	V8-C21 PolarHBondContact N-O 2.78Å; V8-C21 PolarHBondContact O-N 2.76Å; V8-V23 HydrophobicContact CB-CG2 4.48Å; V8-V23 HydrophobicContact CG2-CG2 3.99Å; V8-H49 HydrophobicContact CB-CB 4.1Å; V8-H49 HydrophobicContact CG1-CB 4.24Å; V8-H49 HydrophobicContact CG2-CB 4.32Å; V8-A52 HydrophobicContact CG1-CB 4.29Å; V8-L53 HydrophobicContact CG2-CB 4.17Å
9	T	86.6	Confident	74.5	Confident	62 Å²	62	80.4 Å²	80.4	38%	0.38	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.8	-176.8	-48.8	0	0	0	0	110.2	E18 V20	T9-E18 HydrophobicContact CG2-CG 3.38Å; T9-E18 WeakPolarHBondContact CG2-OE1 3.34Å; T9-V20 HydrophobicContact CG2-CG2 3.95Å
10	D	80.1	Confident	75	Confident	63 Å²	63	80.6 Å²	80.6	34%	0.337	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.9	171.1	-74.1	-29.3	0	0	0	109.7	A12 L19 H49	D10-A12 PolarHBondContact O-N 3.09Å; D10-L19 HydrophobicContact CB-CB 4.49Å; D10-L19 PolarHBondContact N-O 3.03Å; D10-H49 VanDerWaalsContact CG-NE2 3.31Å; D10-H49 IonicContact OD1-CD2 3.65Å; D10-H49 IonicContact OD1-NE2 2.67Å; D10-H49 PolarHBondContact OD1-NE2 3.41Å; D10-H49 IonicContact OD2-CD2 3.57Å; D10-H49 IonicContact OD2-CE1 3.61Å; D10-H49 IonicContact OD2-NE2 2.65Å; D10-H49 PolarHBondContact OD2-NE2 3.14Å
11	P	72.1	Confident	75.5	Confident	108 Å²	108	76.8 Å²	76.8	70%	0.701	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-63.8	137.8	178.6	25.5	-32.1	0	0	0	110.6	T13	P11-T13 PolarHBondContact O-N 3.37Å
12	A	66.9	Low	76.7	Confident	74 Å²	74	75.7 Å²	75.7	61%	0.612	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-58	128.4	-179	0	0	0	0	0	111.6	D10	D10-A12 PolarHBondContact O-N 3.09Å
13	T	62.4	Low	77.4	Confident	70 Å²	70	71.6 Å²	71.6	43%	0.429	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-103.2	156.3	168.3	64	0	0	0	0	108.7	P11 S15 S16	P11-T13 PolarHBondContact O-N 3.37Å; T13-S15 PolarHBondContact O-N 3.47Å; T13-S15 PolarHBondContact OG1-OG 2.92Å; T13-S16 PolarHBondContact O-N 3.37Å; T13-S16 VanDerWaalsContact O-N 3.1Å; T13-S16 PolarHBondContact OG1-OG 3.02Å; T13-S16 VanDerWaalsContact OG1-OG 3.05Å
14	P	57.2	Low	77.6	Confident	149 Å²	149	69.1 Å²	69.1	97%	0.968	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-10.4	-178.3	19.9	-32	0	0	0	114.8
15	S	55.1	Low	77.7	Confident	110 Å²	110	68.3 Å²	68.3	77%	0.769	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-9.6	-179.6	47.4	0	0	0	0	115.5	T13	T13-S15 PolarHBondContact O-N 3.47Å; T13-S15 PolarHBondContact OG1-OG 2.92Å
16	S	56.7	Low	77.5	Confident	61 Å²	61	65.7 Å²	65.7	43%	0.427	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-149.4	141.6	-177.2	63.6	0	0	0	0	113	T13	T13-S16 PolarHBondContact O-N 3.37Å; T13-S16 VanDerWaalsContact O-N 3.1Å; T13-S16 PolarHBondContact OG1-OG 3.02Å; T13-S16 VanDerWaalsContact OG1-OG 3.05Å
17	P	68.8	Low	77.2	Confident	111 Å²	111	67 Å²	67	72%	0.721	42%	0.416	S	S	*	.			trans	-63.6	161.9	175.5	28.1	-34.3	0	0	0	112	L19	P17-L19 PolarHBondContact O-N 3.12Å
18	E	73.3	Confident	76.6	Confident	132 Å²	132	62.9 Å²	62.9	62%	0.617	39%	0.391	S	S	*	.			trans	-58.6	118.5	172.8	-171.8	173.3	-162.1	0	0	109.9	T9	T9-E18 HydrophobicContact CG2-CG 3.38Å; T9-E18 WeakPolarHBondContact CG2-OE1 3.34Å
19	L	77.7	Confident	75.9	Confident	87 Å²	87	66.8 Å²	66.8	46%	0.455	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	113.4	-177.9	-168.2	89.8	0	0	0	108.8	D10 P17 C21	D10-L19 HydrophobicContact CB-CB 4.49Å; D10-L19 PolarHBondContact N-O 3.03Å; P17-L19 PolarHBondContact O-N 3.12Å; L19-C21 WeakPolarHBondContact CD2-SG 3.33Å
20	V	83.5	Confident	75.3	Confident	83 Å²	83	70.4 Å²	70.4	50%	0.503	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	115.3	174.2	-176.5	0	0	0	0	108.7	T7 T9	T7-V20 HydrophobicContact CG2-CG1 4.41Å; T9-V20 HydrophobicContact CG2-CG2 3.95Å
21	C	85.1	Confident	75.1	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.007	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.4	178.9	-64.8	0	0	0	0	110.8	T7 V8 L19 T38 C39	T7-C21 CarbonylContact C-O 3.47Å; T7-C21 WeakPolarHBondContact CA-O 3.31Å; V8-C21 PolarHBondContact N-O 2.78Å; V8-C21 PolarHBondContact O-N 2.76Å; L19-C21 WeakPolarHBondContact CD2-SG 3.33Å; C21-T38 WeakPolarHBondContact CA-OG1 3.37Å; C21-C39 HydrophobicContact CB-CB 4.36Å; C21-C39 WeakPolarHBondContact SG-CB 3.39Å
22	S	86.8	Confident	75.6	Confident	64 Å²	64	64.6 Å²	64.6	45%	0.448	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125	169	-65.5	0	0	0	0	108.8	C37 T38	S22-C37 WeakPolarHBondContact O-CA 3.15Å; S22-T38 PolarHBondContact N-OG1 3.28Å; S22-T38 PolarHBondContact O-N 3.45Å; S22-T38 VanDerWaalsContact O-N 3.13Å
23	V	89.6	Confident	76.2	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.024	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.5	-176.1	-171.8	0	0	0	0	109.7	S5 G6 V8 V25 T36 C37 H49 V50 L53	S5-V23 CarbonylContact C-O 3.57Å; S5-V23 WeakPolarHBondContact CA-O 3.27Å; G6-V23 PolarHBondContact N-O 2.81Å; G6-V23 PolarHBondContact O-N 3.15Å; V8-V23 HydrophobicContact CB-CG2 4.48Å; V8-V23 HydrophobicContact CG2-CG2 3.99Å; V23-V25 HydrophobicContact CG1-CG2 4.08Å; V23-T36 CarbonylContact C-O 3.58Å; V23-T36 WeakPolarHBondContact CA-O 3.23Å; V23-C37 HydrophobicContact CG2-CB 4.45Å; V23-H49 HydrophobicContact CG2-CB 3.74Å; V23-V50 HydrophobicContact CG1-CB 4.31Å; V23-V50 HydrophobicContact CG1-CG2 3.59Å; V23-L53 HydrophobicContact CB-CD2 3.75Å; V23-L53 HydrophobicContact CG1-CD2 3.78Å
24	S	87.9	Confident	77	Confident	23 Å²	23	61.8 Å²	61.8	16%	0.161	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.7	172.3	-155.2	0	0	0	0	110.6	H3 L4 V35 T36	H3-S24 PolarHBondContact CE1-OG 3.14Å; H3-S24 PolarHBondContact NE2-OG 3.11Å; L4-S24 CarbonylContact O-C 3.42Å; L4-S24 WeakPolarHBondContact O-CA 3.39Å; S24-V35 CarbonylContact O-C 3.59Å; S24-V35 WeakPolarHBondContact O-CA 3.45Å; S24-T36 WeakPolarHBondContact CB-OG1 3.29Å; S24-T36 PolarHBondContact N-O 3.3Å; S24-T36 PolarHBondContact O-N 2.89Å
25	V	87.9	Confident	78.2	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.2	-177.7	-171	0	0	0	0	108.9	H3 L4 V23 F27 I32 V35 V50 L53	H3-V25 CarbonylContact C-O 3.57Å; H3-V25 WeakPolarHBondContact CA-O 3.43Å; L4-V25 HydrophobicContact CB-CB 4.4Å; L4-V25 PolarHBondContact N-O 2.64Å; L4-V25 PolarHBondContact O-N 3.4Å; V23-V25 HydrophobicContact CG1-CG2 4.08Å; V25-F27 HydrophobicContact CB-CE2 3.8Å; V25-F27 HydrophobicContact CB-CZ 3.86Å; V25-F27 HydrophobicContact CG1-CD1 4.45Å; V25-F27 HydrophobicContact CG1-CD2 4.29Å; V25-F27 HydrophobicContact CG1-CE1 3.8Å; V25-F27 HydrophobicContact CG1-CE2 3.57Å; V25-F27 HydrophobicContact CG1-CZ 3.3Å; V25-F27 WeakPolarHBondContact O-CE2 3.29Å; V25-I32 HydrophobicContact CG1-CB 4.33Å; V25-I32 HydrophobicContact CG1-CD1 4.16Å; V25-I32 HydrophobicContact CG1-CG1 3.87Å; V25-I32 HydrophobicContact CG1-CG2 3.64Å; V25-V35 HydrophobicContact CG1-CG2 4.31Å; V25-V50 HydrophobicContact CG2-CG1 4.04Å; V25-L53 HydrophobicContact CG2-CD2 4.3Å
26	S	84.8	Confident	79.6	Confident	30 Å²	30	55.3 Å²	55.3	21%	0.21	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.3	172.3	-58.7	0	0	0	0	110.1	F2 I32 T33 A34	F2-S26 CarbonylContact O-C 3.59Å; F2-S26 WeakPolarHBondContact O-CA 3.09Å; S26-I32 WeakPolarHBondContact O-CA 3.4Å; S26-T33 PolarHBondContact O-N 3.04Å; S26-T33 PolarHBondContact O-OG1 3.47Å; S26-A34 PolarHBondContact N-O 3.4Å
27	F	81.7	Confident	81	Confident	53 Å²	53	54.2 Å²	54.2	23%	0.232	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.9	-179.9	-55	-94.6	0	0	0	110.7	F2 L4 V25 K31 I32	F2-F27 WeakPolarHBondContact CD1-O 3.35Å; F2-F27 PolarHBondContact O-N 3.46Å; L4-F27 HydrophobicContact CB-CD2 4.49Å; L4-F27 HydrophobicContact CB-CE2 3.54Å; L4-F27 HydrophobicContact CB-CZ 4.29Å; L4-F27 HydrophobicContact CD2-CE2 4.21Å; L4-F27 HydrophobicContact CD2-CZ 4.14Å; V25-F27 HydrophobicContact CB-CE2 3.8Å; V25-F27 HydrophobicContact CB-CZ 3.86Å; V25-F27 HydrophobicContact CG1-CD1 4.45Å; V25-F27 HydrophobicContact CG1-CD2 4.29Å; V25-F27 HydrophobicContact CG1-CE1 3.8Å; V25-F27 HydrophobicContact CG1-CE2 3.57Å; V25-F27 HydrophobicContact CG1-CZ 3.3Å; V25-F27 WeakPolarHBondContact O-CE2 3.29Å; F27-K31 CarbonylContact C-O 3.39Å; F27-K31 WeakPolarHBondContact CA-O 3.33Å; F27-I32 HydrophobicContact CD1-CG1 3.73Å; F27-I32 HydrophobicContact CE1-CD1 4.14Å; F27-I32 HydrophobicContact CE1-CG1 3.45Å; F27-I32 VanDerWaalsContact CE1-CG1 3.45Å; F27-I32 HydrophobicContact CZ-CG1 4.35Å
28	D	76.2	Confident	81.8	Confident	11 Å²	11	53.5 Å²	53.5	6%	0.059	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.9	164.1	179.5	29	0	0	0	109.3	C30 K31 T33 N136	D28-C30 VanDerWaalsContact C-N 3.27Å; D28-C30 PolarHBondContact O-N 3.02Å; D28-K31 PolarHBondContact N-O 3.26Å; D28-K31 WeakPolarHBondContact O-CA 3.38Å; D28-K31 VanDerWaalsContact O-CB 3.29Å; D28-K31 WeakPolarHBondContact O-CB 3.34Å; D28-K31 PolarHBondContact O-N 3.37Å; D28-T33 HydrophobicContact CB-CG2 3.64Å; D28-N136 WeakPolarHBondContact OD2-CB 3.31Å
29	R	74.7	Confident	82.1	Confident	107 Å²	107	48.7 Å²	48.7	40%	0.404	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	40	51.2	176.3	-71.8	170.8	-73.7	-176.6	-4.9	114.1	K31 V132 D134 N136	R29-K31 VanDerWaalsContact C-N 3.26Å; R29-K31 PolarHBondContact O-N 3.36Å; R29-V132 PolarHBondContact NH1-O 2.93Å; R29-D134 PolarHBondContact NH2-O 3.18Å; R29-N136 VanDerWaalsContact CZ-CG 3.45Å; R29-N136 PolarHBondContact NE-ND2 2.94Å
30	C	73.8	Confident	81.6	Confident	137 Å²	137	47.6 Å²	47.6	93%	0.926	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	17.7	-178.6	-58.5	0	0	0	0	116.1	D28	D28-C30 VanDerWaalsContact C-N 3.27Å; D28-C30 PolarHBondContact O-N 3.02Å
31	K	76.3	Confident	80.9	Confident	24 Å²	24	48 Å²	48	10%	0.104	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.6	176.1	-66.1	-168.6	-179.2	-172.1	0	110.3	F27 D28 R29 T33 N136 D180	F27-K31 CarbonylContact C-O 3.39Å; F27-K31 WeakPolarHBondContact CA-O 3.33Å; D28-K31 PolarHBondContact N-O 3.26Å; D28-K31 WeakPolarHBondContact O-CA 3.38Å; D28-K31 VanDerWaalsContact O-CB 3.29Å; D28-K31 WeakPolarHBondContact O-CB 3.34Å; D28-K31 PolarHBondContact O-N 3.37Å; R29-K31 VanDerWaalsContact C-N 3.26Å; R29-K31 PolarHBondContact O-N 3.36Å; K31-T33 PolarHBondContact O-N 3.5Å; K31-N136 HydrophobicContact CD-CB 4.23Å; K31-N136 VanDerWaalsContact CD-O 3.28Å; K31-N136 WeakPolarHBondContact CD-O 3.43Å; K31-N136 WeakPolarHBondContact CE-O 3.42Å; K31-N136 PolarHBondContact NZ-O 2.84Å; K31-D180 IonicContact NZ-OD2 3.77Å; K31-D180 PolarHBondContact NZ-OD2 3.49Å
32	I	82.2	Confident	79.7	Confident	25 Å²	25	54.1 Å²	54.1	13%	0.128	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	112.5	169	-65.7	169.3	0	0	0	107.7	V25 S26 F27 V35 Y46 W138 H139	V25-I32 HydrophobicContact CG1-CB 4.33Å; V25-I32 HydrophobicContact CG1-CD1 4.16Å; V25-I32 HydrophobicContact CG1-CG1 3.87Å; V25-I32 HydrophobicContact CG1-CG2 3.64Å; S26-I32 WeakPolarHBondContact O-CA 3.4Å; F27-I32 HydrophobicContact CD1-CG1 3.73Å; F27-I32 HydrophobicContact CE1-CD1 4.14Å; F27-I32 HydrophobicContact CE1-CG1 3.45Å; F27-I32 VanDerWaalsContact CE1-CG1 3.45Å; F27-I32 HydrophobicContact CZ-CG1 4.35Å; I32-V35 HydrophobicContact CG2-CG2 3.29Å; I32-Y46 HydrophobicContact CB-CE1 4.2Å; I32-Y46 WeakPolarHBondContact CB-OH 3.4Å; I32-Y46 HydrophobicContact CD1-CE1 4.35Å; I32-Y46 HydrophobicContact CD1-CE2 4.13Å; I32-Y46 HydrophobicContact CG2-CE1 3.65Å; I32-W138 CarbonylContact O-C 3.58Å; I32-W138 WeakPolarHBondContact O-CA 3.42Å; I32-H139 PolarHBondContact O-N 3.22Å
33	T	78.5	Confident	78.6	Confident	46 Å²	46	54.4 Å²	54.4	28%	0.282	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-31.5	-174.6	51.4	0	0	0	0	112.9	S26 D28 K31	S26-T33 PolarHBondContact O-N 3.04Å; S26-T33 PolarHBondContact O-OG1 3.47Å; D28-T33 HydrophobicContact CB-CG2 3.64Å; K31-T33 PolarHBondContact O-N 3.5Å
34	A	78.8	Confident	77.3	Confident	40 Å²	40	54.3 Å²	54.3	33%	0.331	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	146.9	176.9	0	0	0	0	0	111	S26	S26-A34 PolarHBondContact N-O 3.4Å
35	V	83.6	Confident	76.3	Confident	27 Å²	27	54.9 Å²	54.9	16%	0.164	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.2	179.4	179.1	0	0	0	0	109.2	S24 V25 I32 Y46 V50	S24-V35 CarbonylContact O-C 3.59Å; S24-V35 WeakPolarHBondContact O-CA 3.45Å; V25-V35 HydrophobicContact CG1-CG2 4.31Å; I32-V35 HydrophobicContact CG2-CG2 3.29Å; V35-Y46 HydrophobicContact CG2-CD1 3.79Å; V35-Y46 HydrophobicContact CG2-CE1 3.72Å; V35-V50 HydrophobicContact CG1-CB 4.11Å; V35-V50 HydrophobicContact CG1-CG1 3.75Å; V35-V50 HydrophobicContact CG1-CG2 3.23Å; V35-V50 HydrophobicContact CG2-CG1 4.09Å
36	T	83.8	Confident	75.8	Confident	95 Å²	95	57.4 Å²	57.4	58%	0.583	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.2	167.1	60.7	0	0	0	0	109.3	V23 S24	V23-T36 CarbonylContact C-O 3.58Å; V23-T36 WeakPolarHBondContact CA-O 3.23Å; S24-T36 WeakPolarHBondContact CB-OG1 3.29Å; S24-T36 PolarHBondContact N-O 3.3Å; S24-T36 PolarHBondContact O-N 2.89Å
37	C	86.2	Confident	75.7	Confident	38 Å²	38	56.4 Å²	56.4	26%	0.257	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	135.6	178.2	-177.5	0	0	0	0	110.2	S22 V23 C39 C47 V50	S22-C37 WeakPolarHBondContact O-CA 3.15Å; V23-C37 HydrophobicContact CG2-CB 4.45Å; C37-C39 PolarHBondContact O-N 3.41Å; C37-C39 PolarHBondContact SG-SG 3.07Å; C37-C47 VanDerWaalsContact SG-SG 3.6Å; C37-V50 HydrophobicContact CB-CG2 4.16Å
38	T	84.9	Confident	75.9	Confident	97 Å²	97	57.2 Å²	57.2	60%	0.595	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	1.8	-179.4	61	0	0	0	0	114.3	C21 S22 G40	C21-T38 WeakPolarHBondContact CA-OG1 3.37Å; S22-T38 PolarHBondContact N-OG1 3.28Å; S22-T38 PolarHBondContact O-N 3.45Å; S22-T38 VanDerWaalsContact O-N 3.13Å; T38-G40 PolarHBondContact O-N 3.02Å
39	C	79.9	Confident	76.4	Confident	31 Å²	31	57.3 Å²	57.3	21%	0.209	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.5	-177.5	71.2	0	0	0	0	114.9	C21 C37 N41 H49	C21-C39 HydrophobicContact CB-CB 4.36Å; C21-C39 WeakPolarHBondContact SG-CB 3.39Å; C37-C39 PolarHBondContact O-N 3.41Å; C37-C39 PolarHBondContact SG-SG 3.07Å; C39-N41 PolarHBondContact O-N 3.32Å; C39-N41 VanDerWaalsContact O-N 3.12Å; C39-N41 WeakPolarHBondContact SG-CB 3.33Å; C39-N41 PolarHBondContact SG-N 3.35Å; C39-N41 VanDerWaalsContact SG-N 3.36Å; C39-H49 VanDerWaalsContact CB-CE1 3.42Å; C39-H49 WeakPolarHBondContact CB-CE1 3.46Å; C39-H49 WeakPolarHBondContact CB-ND1 3.47Å
40	G	68.4	Low	77	Confident	64 Å²	64	52.3 Å²	52.3	66%	0.66	32%	0.321	S	S	*	.			trans	65.1	9.6	-176.7	0	0	0	0	0	115	T38	T38-G40 PolarHBondContact O-N 3.02Å
41	N	68.3	Low	77.6	Confident	90 Å²	90	48.9 Å²	48.9	48%	0.481	30%	0.296	S	S	.	.			trans	-71.8	130.2	-179	-171.7	2	0	0	0	110.9	C39 D43 C47	C39-N41 PolarHBondContact O-N 3.32Å; C39-N41 VanDerWaalsContact O-N 3.12Å; C39-N41 WeakPolarHBondContact SG-CB 3.33Å; C39-N41 PolarHBondContact SG-N 3.35Å; C39-N41 VanDerWaalsContact SG-N 3.36Å; N41-D43 PolarHBondContact OD1-N 2.94Å; N41-C47 HydrophobicContact CB-CB 3.77Å
42	K	60.5	Low	78.2	Confident	130 Å²	130	49.8 Å²	49.8	57%	0.565	31%	0.307	S	S	*	.			trans	-102.4	57.1	179.4	-61.2	-172.9	172.5	-162.2	0	112.2	Q144 E147 Q148	K42-Q144 PolarHBondContact O-NE2 2.94Å; K42-E147 IonicContact NZ-OE2 3.91Å; K42-E147 PolarHBondContact NZ-OE2 3.38Å; K42-Q148 PolarHBondContact O-NE2 3.04Å
43	D	63.6	Low	78.5	Confident	71 Å²	71	49.4 Å²	49.4	38%	0.38	31%	0.306	S	S	.	.			trans	-89.2	143.3	162.3	-162.4	-6.3	0	0	0	111.9	N41 F45 Q144	N41-D43 PolarHBondContact OD1-N 2.94Å; D43-F45 PolarHBondContact O-N 2.64Å; D43-F45 VanDerWaalsContact O-N 3.09Å; D43-Q144 VanDerWaalsContact N-NE2 3.1Å; D43-Q144 PolarHBondContact O-NE2 3.01Å; D43-Q144 PolarHBondContact O-OE1 2.93Å
44	I	62.5	Low	79	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	30%	0.3	C	S	.	.	S	Bend	trans	-59.4	-23.6	-170.2	-69.8	168.1	0	0	0	113.6	Q144 V145 Q148 L168 M186	I44-Q144 VanDerWaalsContact CA-OE1 3.29Å; I44-Q144 HydrophobicContact CG1-CG 4.35Å; I44-V145 HydrophobicContact CG1-CG2 4.37Å; I44-V145 HydrophobicContact CG2-CG2 3.55Å; I44-Q148 HydrophobicContact CD1-CB 4.14Å; I44-Q148 HydrophobicContact CD1-CG 4.33Å; I44-Q148 HydrophobicContact CG1-CG 4.26Å; I44-Q148 VanDerWaalsContact CG1-OE1 3.29Å; I44-L168 HydrophobicContact CD1-CD1 4.42Å; I44-L168 HydrophobicContact CD1-CD2 3.42Å; I44-L168 VanDerWaalsContact CD1-CD2 3.42Å; I44-M186 HydrophobicContact CG2-CE 4.45Å
45	F	65.4	Low	79.5	Confident	35 Å²	35	50 Å²	50	15%	0.154	30%	0.303	C	S	.	.	S	Bend	trans	-119.7	-77.1	-178.5	-66.9	-79.6	0	0	0	111.3	D43 L140 K171 M175 M186	D43-F45 PolarHBondContact O-N 2.64Å; D43-F45 VanDerWaalsContact O-N 3.09Å; F45-L140 HydrophobicContact CE1-CD1 4.28Å; F45-L140 HydrophobicContact CZ-CD1 4.45Å; F45-K171 HydrophobicContact CD2-CD 3.92Å; F45-K171 HydrophobicContact CE2-CB 4.4Å; F45-K171 HydrophobicContact CE2-CD 3.31Å; F45-K171 HydrophobicContact CE2-CG 4.38Å; F45-K171 HydrophobicContact CZ-CD 4.2Å; F45-M175 HydrophobicContact CE1-CE 3.64Å; F45-M175 HydrophobicContact CE1-SD 4.4Å; F45-M175 HydrophobicContact CZ-CE 4.21Å; F45-M175 HydrophobicContact CZ-SD 4.4Å; F45-M186 HydrophobicContact CE2-CE 4.41Å; F45-M186 HydrophobicContact CZ-CE 4.29Å; F45-M186 HydrophobicContact CZ-SD 4.07Å
46	Y	78.2	Confident	79.7	Confident	53 Å²	53	53.5 Å²	53.5	21%	0.208	31%	0.314	C	S	.	.			trans	-138.9	130.5	-171.2	-51.8	-49.8	0	0	0	110.4	I32 V35 V50 H139	I32-Y46 HydrophobicContact CB-CE1 4.2Å; I32-Y46 WeakPolarHBondContact CB-OH 3.4Å; I32-Y46 HydrophobicContact CD1-CE1 4.35Å; I32-Y46 HydrophobicContact CD1-CE2 4.13Å; I32-Y46 HydrophobicContact CG2-CE1 3.65Å; V35-Y46 HydrophobicContact CG2-CD1 3.79Å; V35-Y46 HydrophobicContact CG2-CE1 3.72Å; Y46-V50 HydrophobicContact CD1-CG1 3.94Å; Y46-V50 HydrophobicContact CG-CG1 4.05Å; Y46-H139 HydrophobicContact CE1-CB 4.28Å
47	C	82.8	Confident	79.9	Confident	10 Å²	10	52.6 Å²	52.6	7%	0.068	30%	0.3	C	S	.	.			trans	-69.2	163.4	169.3	73.4	0	0	0	0	111.2	C37 N41 H49 V50 V51	C37-C47 VanDerWaalsContact SG-SG 3.6Å; N41-C47 HydrophobicContact CB-CB 3.77Å; C47-H49 PolarHBondContact O-N 2.67Å; C47-H49 VanDerWaalsContact O-N 3.13Å; C47-V50 PolarHBondContact O-N 3.01Å; C47-V50 WeakPolarHBondContact SG-CG2 3.37Å; C47-V51 PolarHBondContact O-N 3.14Å; C47-V51 VanDerWaalsContact O-N 3.17Å
48	A	84.8	Confident	79.9	Confident	69 Å²	69	56 Å²	56	57%	0.57	32%	0.32	S	S	*	.	H	α-helix	trans	-54.9	-33.4	178.9	0	0	0	0	0	113.1	V51 A52	A48-V51 PolarHBondContact O-N 3.35Å; A48-A52 VanDerWaalsContact O-CB 3.26Å; A48-A52 WeakPolarHBondContact O-CB 3.5Å; A48-A52 PolarHBondContact O-N 2.9Å
49	H	86.9	Confident	80.1	Confident	14 Å²	14	60.6 Å²	60.6	7%	0.065	33%	0.326	C	S	.	.	H	α-helix	trans	-65.9	-39.1	178.1	-47.6	94.9	0	0	0	112.6	V8 D10 V23 C39 C47 A52 L53	V8-H49 HydrophobicContact CB-CB 4.1Å; V8-H49 HydrophobicContact CG1-CB 4.24Å; V8-H49 HydrophobicContact CG2-CB 4.32Å; D10-H49 VanDerWaalsContact CG-NE2 3.31Å; D10-H49 IonicContact OD1-CD2 3.65Å; D10-H49 IonicContact OD1-NE2 2.67Å; D10-H49 PolarHBondContact OD1-NE2 3.41Å; D10-H49 IonicContact OD2-CD2 3.57Å; D10-H49 IonicContact OD2-CE1 3.61Å; D10-H49 IonicContact OD2-NE2 2.65Å; D10-H49 PolarHBondContact OD2-NE2 3.14Å; V23-H49 HydrophobicContact CG2-CB 3.74Å; C39-H49 VanDerWaalsContact CB-CE1 3.42Å; C39-H49 WeakPolarHBondContact CB-CE1 3.46Å; C39-H49 WeakPolarHBondContact CB-ND1 3.47Å; C47-H49 PolarHBondContact O-N 2.67Å; C47-H49 VanDerWaalsContact O-N 3.13Å; H49-A52 PolarHBondContact O-N 3.16Å; H49-L53 WeakPolarHBondContact O-CB 3.32Å; H49-L53 PolarHBondContact O-N 3.32Å
50	V	87.1	Confident	80.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-68	-42.6	177.5	174.2	0	0	0	0	110.4	V23 V25 V35 C37 Y46 C47 S54	V23-V50 HydrophobicContact CG1-CB 4.31Å; V23-V50 HydrophobicContact CG1-CG2 3.59Å; V25-V50 HydrophobicContact CG2-CG1 4.04Å; V35-V50 HydrophobicContact CG1-CB 4.11Å; V35-V50 HydrophobicContact CG1-CG1 3.75Å; V35-V50 HydrophobicContact CG1-CG2 3.23Å; V35-V50 HydrophobicContact CG2-CG1 4.09Å; C37-V50 HydrophobicContact CB-CG2 4.16Å; Y46-V50 HydrophobicContact CD1-CG1 3.94Å; Y46-V50 HydrophobicContact CG-CG1 4.05Å; C47-V50 PolarHBondContact O-N 3.01Å; C47-V50 WeakPolarHBondContact SG-CG2 3.37Å; V50-S54 WeakPolarHBondContact O-CB 3.45Å; V50-S54 PolarHBondContact O-N 2.9Å; V50-S54 PolarHBondContact O-OG 3.36Å
51	V	87.7	Confident	81	Confident	66 Å²	66	63.6 Å²	63.6	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-44.8	174.4	179.1	0	0	0	0	110.5	C47 A48 S54 L55	C47-V51 PolarHBondContact O-N 3.14Å; C47-V51 VanDerWaalsContact O-N 3.17Å; A48-V51 PolarHBondContact O-N 3.35Å; V51-S54 PolarHBondContact O-N 2.93Å; V51-L55 HydrophobicContact CG1-CD1 3.87Å; V51-L55 HydrophobicContact CG1-CG 4.24Å; V51-L55 WeakPolarHBondContact O-CB 3.08Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.36Å; V51-L55 PolarHBondContact O-N 3.42Å
52	A	88	Confident	81.8	Confident	42 Å²	42	68.4 Å²	68.4	35%	0.347	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-47.1	178.7	0	0	0	0	0	112	V8 A48 H49 S54 L55 Y56	V8-A52 HydrophobicContact CG1-CB 4.29Å; A48-A52 VanDerWaalsContact O-CB 3.26Å; A48-A52 WeakPolarHBondContact O-CB 3.5Å; A48-A52 PolarHBondContact O-N 2.9Å; H49-A52 PolarHBondContact O-N 3.16Å; A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 3.44Å; A52-L55 PolarHBondContact O-N 3.02Å; A52-Y56 WeakPolarHBondContact O-CB 3.38Å; A52-Y56 PolarHBondContact O-N 3.25Å
53	L	89.5	Confident	82.9	Confident	17 Å²	17	68.1 Å²	68.1	9%	0.089	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-42.6	176.7	-179.5	61	0	0	0	111.5	L4 V8 V23 V25 H49 Y56 R57	L4-L53 HydrophobicContact CD2-CD1 4.36Å; L4-L53 HydrophobicContact CD2-CD2 4.26Å; L4-L53 HydrophobicContact CD2-CG 3.83Å; L4-L53 HydrophobicContact CG-CD1 4.4Å; L4-L53 HydrophobicContact CG-CD2 4.14Å; L4-L53 HydrophobicContact CG-CG 4.12Å; V8-L53 HydrophobicContact CG2-CB 4.17Å; V23-L53 HydrophobicContact CB-CD2 3.75Å; V23-L53 HydrophobicContact CG1-CD2 3.78Å; V25-L53 HydrophobicContact CG2-CD2 4.3Å; H49-L53 WeakPolarHBondContact O-CB 3.32Å; H49-L53 PolarHBondContact O-N 3.32Å; L53-Y56 PolarHBondContact O-N 3.41Å; L53-R57 PolarHBondContact O-N 3.45Å
54	S	88.1	Confident	83.9	Confident	24 Å²	24	66.1 Å²	66.1	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-46.7	177.4	-58.1	0	0	0	0	111.6	V50 V51 A52 Y56 R57 V58	V50-S54 WeakPolarHBondContact O-CB 3.45Å; V50-S54 PolarHBondContact O-N 2.9Å; V50-S54 PolarHBondContact O-OG 3.36Å; V51-S54 PolarHBondContact O-N 2.93Å; A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 3.44Å; S54-Y56 VanDerWaalsContact C-N 3.33Å; S54-Y56 PolarHBondContact O-N 3.02Å; S54-R57 PolarHBondContact O-N 2.85Å; S54-V58 WeakPolarHBondContact O-CG2 2.9Å; S54-V58 PolarHBondContact O-N 2.97Å; S54-V58 VanDerWaalsContact O-N 3.08Å
55	L	88.8	Confident	84.8	Confident	74 Å²	74	74.5 Å²	74.5	39%	0.387	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-36.3	176.2	-73.7	176.1	0	0	0	112.3	V51 A52 V58 R59	V51-L55 HydrophobicContact CG1-CD1 3.87Å; V51-L55 HydrophobicContact CG1-CG 4.24Å; V51-L55 WeakPolarHBondContact O-CB 3.08Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.36Å; V51-L55 PolarHBondContact O-N 3.42Å; A52-L55 PolarHBondContact O-N 3.02Å; L55-V58 PolarHBondContact O-N 3.23Å; L55-R59 WeakPolarHBondContact O-CB 3.47Å; L55-R59 WeakPolarHBondContact O-CG 3.39Å; L55-R59 PolarHBondContact O-N 3.36Å
56	Y	88.8	Confident	85.6	Confident	102 Å²	102	78.6 Å²	78.6	40%	0.4	39%	0.394	S	S	.	.	H	α-helix	trans	-61.4	-46.7	175.1	-173.5	-88.5	0	0	0	110.8	A52 L53 S54 V58 R59 K60 Q63 V64	A52-Y56 WeakPolarHBondContact O-CB 3.38Å; A52-Y56 PolarHBondContact O-N 3.25Å; L53-Y56 PolarHBondContact O-N 3.41Å; S54-Y56 VanDerWaalsContact C-N 3.33Å; S54-Y56 PolarHBondContact O-N 3.02Å; Y56-V58 VanDerWaalsContact C-N 3.29Å; Y56-V58 PolarHBondContact O-N 3.12Å; Y56-R59 PolarHBondContact O-N 3.49Å; Y56-K60 HydrophobicContact CD2-CD 4.2Å; Y56-K60 HydrophobicContact CE1-CB 4.45Å; Y56-K60 HydrophobicContact CE2-CD 3.63Å; Y56-K60 PolarHBondContact O-N 2.99Å; Y56-Q63 PolarHBondContact OH-OE1 2.93Å; Y56-V64 HydrophobicContact CD1-CG2 4.34Å; Y56-V64 HydrophobicContact CE1-CG2 4.33Å
57	R	87	Confident	85.8	Confident	76 Å²	76	83.5 Å²	83.5	29%	0.287	42%	0.418	S	S	.	.	H	α-helix	trans	-60.1	-37.3	175.7	175.8	61.4	-177.1	90.8	-7.9	113	L4 L53 S54 P61	L4-R57 HydrophobicContact CD1-CB 4.46Å; L4-R57 HydrophobicContact CD1-CG 4.43Å; L4-R57 HydrophobicContact CD2-CB 3.81Å; L4-R57 HydrophobicContact CD2-CG 4.16Å; L53-R57 PolarHBondContact O-N 3.45Å; S54-R57 PolarHBondContact O-N 2.85Å; R57-P61 VanDerWaalsContact NH1-CB 3.33Å
58	V	86.6	Confident	85.6	Confident	110 Å²	110	87.9 Å²	87.9	67%	0.667	44%	0.44	S	S	*	.	H	α-helix	trans	-72.1	-45.9	178.5	171.8	0	0	0	0	111.3	S54 L55 Y56	S54-V58 WeakPolarHBondContact O-CG2 2.9Å; S54-V58 PolarHBondContact O-N 2.97Å; S54-V58 VanDerWaalsContact O-N 3.08Å; L55-V58 PolarHBondContact O-N 3.23Å; Y56-V58 VanDerWaalsContact C-N 3.29Å; Y56-V58 PolarHBondContact O-N 3.12Å
59	R	88.8	Confident	85.4	Confident	192 Å²	192	86.5 Å²	86.5	73%	0.725	43%	0.426	S	S	*	.	H	α-helix	trans	-78.4	-29	-175.6	-71	-179.6	177.7	158.5	-0	113.8	L55 Y56 P61	L55-R59 WeakPolarHBondContact O-CB 3.47Å; L55-R59 WeakPolarHBondContact O-CG 3.39Å; L55-R59 PolarHBondContact O-N 3.36Å; Y56-R59 PolarHBondContact O-N 3.49Å; R59-P61 VanDerWaalsContact C-CD 3.45Å
60	K	86.6	Confident	85.2	Confident	92 Å²	92	89 Å²	89	40%	0.4	44%	0.439	S	S	.	.			trans	-128.6	63	-175.8	-66.5	178.2	166.1	-168.6	0	111.2	Y56 E62 Q63	Y56-K60 HydrophobicContact CD2-CD 4.2Å; Y56-K60 HydrophobicContact CE1-CB 4.45Å; Y56-K60 HydrophobicContact CE2-CD 3.63Å; Y56-K60 PolarHBondContact O-N 2.99Å; K60-E62 VanDerWaalsContact C-N 3.32Å; K60-E62 PolarHBondContact O-N 3.16Å; K60-Q63 HydrophobicContact CB-CB 4.3Å; K60-Q63 HydrophobicContact CB-CG 4.32Å; K60-Q63 PolarHBondContact O-N 3.24Å
61	P	81.9	Confident	84.9	Confident	66 Å²	66	91.5 Å²	91.5	43%	0.429	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-63.3	-36.4	-173.2	26	-34.8	0	0	0	113.1	R57 R59 Q63 V64	R57-P61 VanDerWaalsContact NH1-CB 3.33Å; R59-P61 VanDerWaalsContact C-CD 3.45Å; P61-Q63 VanDerWaalsContact C-N 3.27Å; P61-Q63 PolarHBondContact O-N 2.99Å; P61-V64 PolarHBondContact O-N 3.35Å
62	E	84.4	Confident	84.6	Confident	192 Å²	192	92.4 Å²	92.4	90%	0.897	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-72.4	-19	-177.9	-59.6	-169.2	169.3	0	0	113.8	K60 V64	K60-E62 VanDerWaalsContact C-N 3.32Å; K60-E62 PolarHBondContact O-N 3.16Å; E62-V64 VanDerWaalsContact C-N 3.35Å
63	Q	84.6	Confident	84.4	Confident	123 Å²	123	92.5 Å²	92.5	58%	0.575	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-85.7	-11	179.3	-60.8	-173.4	9.3	0	0	112.4	Y56 K60 P61	Y56-Q63 PolarHBondContact OH-OE1 2.93Å; K60-Q63 HydrophobicContact CB-CB 4.3Å; K60-Q63 HydrophobicContact CB-CG 4.32Å; K60-Q63 PolarHBondContact O-N 3.24Å; P61-Q63 VanDerWaalsContact C-N 3.27Å; P61-Q63 PolarHBondContact O-N 2.99Å
64	V	83.4	Confident	84.2	Confident	30 Å²	30	94.3 Å²	94.3	18%	0.182	46%	0.462	C	S	.	.	S	Bend	trans	-95.2	113.9	179.4	-176.1	0	0	0	0	109.9	L4 Y56 P61 E62 L66	L4-V64 HydrophobicContact CD1-CG1 3.98Å; Y56-V64 HydrophobicContact CD1-CG2 4.34Å; Y56-V64 HydrophobicContact CE1-CG2 4.33Å; P61-V64 PolarHBondContact O-N 3.35Å; E62-V64 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 3.42Å
65	K	82.5	Confident	83.9	Confident	176 Å²	176	101.4 Å²	101.4	77%	0.765	49%	0.49	S	S	*	.			trans	-65.7	129.6	176.5	-65.7	-178.3	-178.6	178.4	0	110.4
66	L	81.1	Confident	83.7	Confident	122 Å²	122	103.7 Å²	103.7	64%	0.639	50%	0.499	S	S	*	.			trans	-97.4	128.9	174.1	-66.1	172.6	0	0	0	109.1	V64	V64-L66 PolarHBondContact O-N 3.42Å
67	H	82.3	Confident	83.6	Confident	156 Å²	156	101.4 Å²	101.4	72%	0.722	49%	0.493	S	S	*	.			trans	-112.6	150.1	175.1	-65.9	-80.5	0	0	0	109.7
68	L	79.3	Confident	83.7	Confident	101 Å²	101	100.7 Å²	100.7	53%	0.529	50%	0.499	S	S	.	.			trans	-64.7	158.8	166.5	-66.6	173.6	0	0	0	109.5	E72	L68-E72 HydrophobicContact CB-CB 4.33Å; L68-E72 HydrophobicContact CB-CG 4.41Å; L68-E72 HydrophobicContact CD1-CG 4.09Å
69	P	79.6	Confident	83.8	Confident	40 Å²	40	105.9 Å²	105.9	26%	0.26	51%	0.507	S	S	.	.			trans	-50.1	145.6	168.9	-24.5	34.3	0	0	0	111	S71 E72 T73 D125 T127 A128	P69-S71 PolarHBondContact O-N 3.41Å; P69-E72 WeakPolarHBondContact O-CB 3.47Å; P69-E72 PolarHBondContact O-N 2.94Å; P69-E72 VanDerWaalsContact O-N 3.15Å; P69-T73 PolarHBondContact O-N 3.14Å; P69-T73 VanDerWaalsContact O-N 3.12Å; P69-T73 PolarHBondContact O-OG1 3.25Å; P69-D125 VanDerWaalsContact CB-OD2 3.24Å; P69-D125 WeakPolarHBondContact CB-OD2 3.48Å; P69-T127 WeakPolarHBondContact CA-OG1 3.25Å; P69-A128 HydrophobicContact CB-CB 4.16Å; P69-A128 HydrophobicContact CG-CB 4.47Å
70	I	82.6	Confident	83.8	Confident	67 Å²	67	100.9 Å²	100.9	34%	0.344	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-32.2	-175.5	-161.4	66.6	0	0	0	110.5	E72 T73 L74 D125 T127	I70-E72 PolarHBondContact O-N 2.91Å; I70-T73 WeakPolarHBondContact O-CB 3.3Å; I70-T73 PolarHBondContact O-N 2.88Å; I70-L74 HydrophobicContact CG1-CD1 4.25Å; I70-L74 HydrophobicContact CG1-CG 4.32Å; I70-L74 WeakPolarHBondContact O-CB 3.38Å; I70-L74 WeakPolarHBondContact O-CG 3.46Å; I70-L74 PolarHBondContact O-N 2.93Å; I70-D125 WeakPolarHBondContact CG2-OD1 3.34Å; I70-D125 PolarHBondContact N-OD2 3.02Å; I70-T127 HydrophobicContact CG2-CG2 4.39Å; I70-T127 PolarHBondContact N-OG1 3.21Å
71	S	80.6	Confident	83.9	Confident	53 Å²	53	101.4 Å²	101.4	37%	0.371	50%	0.498	S	S	.	.	H	α-helix	trans	-58	-44.5	173.6	54.1	0	0	0	0	112.6	P69 T73 L74 F75 D125	P69-S71 PolarHBondContact O-N 3.41Å; S71-T73 VanDerWaalsContact C-N 3.34Å; S71-L74 PolarHBondContact O-N 2.96Å; S71-F75 WeakPolarHBondContact O-CB 3.13Å; S71-F75 PolarHBondContact O-N 3.14Å; S71-D125 WeakPolarHBondContact CB-OD2 3.49Å; S71-D125 PolarHBondContact N-OD2 3.48Å; S71-D125 PolarHBondContact OG-OD2 2.9Å
72	E	82.9	Confident	84.2	Confident	85 Å²	85	101.6 Å²	101.6	40%	0.397	50%	0.495	S	S	.	.	H	α-helix	trans	-65.9	-39.9	177.2	-170.3	62.5	-157.7	0	0	111.2	L68 P69 I70 F75 Q76	L68-E72 HydrophobicContact CB-CB 4.33Å; L68-E72 HydrophobicContact CB-CG 4.41Å; L68-E72 HydrophobicContact CD1-CG 4.09Å; P69-E72 WeakPolarHBondContact O-CB 3.47Å; P69-E72 PolarHBondContact O-N 2.94Å; P69-E72 VanDerWaalsContact O-N 3.15Å; I70-E72 PolarHBondContact O-N 2.91Å; E72-F75 PolarHBondContact O-N 3.35Å; E72-Q76 VanDerWaalsContact O-CG 3.29Å; E72-Q76 WeakPolarHBondContact O-CG 3.31Å; E72-Q76 PolarHBondContact O-N 3.44Å; E72-Q76 VanDerWaalsContact O-N 3.15Å; E72-Q76 PolarHBondContact OE1-NE2 3.33Å
73	T	83.9	Confident	84.3	Confident	44 Å²	44	97.3 Å²	97.3	27%	0.27	48%	0.475	S	S	.	.	H	α-helix	trans	-65.5	-41	176.1	-54.3	0	0	0	0	111.3	P69 I70 S71 Q76 M77	P69-T73 PolarHBondContact O-N 3.14Å; P69-T73 VanDerWaalsContact O-N 3.12Å; P69-T73 PolarHBondContact O-OG1 3.25Å; I70-T73 WeakPolarHBondContact O-CB 3.3Å; I70-T73 PolarHBondContact O-N 2.88Å; S71-T73 VanDerWaalsContact C-N 3.34Å; T73-Q76 PolarHBondContact O-N 2.99Å; T73-M77 HydrophobicContact CG2-CE 3.99Å; T73-M77 WeakPolarHBondContact O-CG 3.33Å; T73-M77 PolarHBondContact O-N 3.02Å
74	L	84.8	Confident	84.6	Confident	55 Å²	55	96.2 Å²	96.2	29%	0.288	47%	0.469	S	S	.	.	H	α-helix	trans	-68.8	-36.3	176.5	-68.9	169.3	0	0	0	111.8	I70 S71 Q76 M77 L82 F85	I70-L74 HydrophobicContact CG1-CD1 4.25Å; I70-L74 HydrophobicContact CG1-CG 4.32Å; I70-L74 WeakPolarHBondContact O-CB 3.38Å; I70-L74 WeakPolarHBondContact O-CG 3.46Å; I70-L74 PolarHBondContact O-N 2.93Å; S71-L74 PolarHBondContact O-N 2.96Å; L74-Q76 VanDerWaalsContact C-N 3.31Å; L74-Q76 PolarHBondContact O-N 3.05Å; L74-M77 HydrophobicContact CD2-SD 4.15Å; L74-M77 PolarHBondContact O-N 3.28Å; L74-L82 HydrophobicContact CD2-CD1 3.59Å; L74-F85 HydrophobicContact CD2-CD1 3.81Å; L74-F85 HydrophobicContact CD2-CE1 3.68Å; L74-F85 HydrophobicContact CD2-CZ 4.28Å
75	F	81.6	Confident	84.8	Confident	173 Å²	173	98.2 Å²	98.2	76%	0.759	48%	0.475	S	S	*	.	H	α-helix	trans	-64.8	-34.7	176.5	-175.6	-99.6	0	0	0	112.4	S71 E72 M77	S71-F75 WeakPolarHBondContact O-CB 3.13Å; S71-F75 PolarHBondContact O-N 3.14Å; E72-F75 PolarHBondContact O-N 3.35Å; F75-M77 VanDerWaalsContact C-N 3.3Å; F75-M77 PolarHBondContact O-N 3.1Å
76	Q	84.4	Confident	85.1	Confident	122 Å²	122	93.1 Å²	93.1	57%	0.57	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-13	177.3	-67.6	172	15.1	0	0	113.5	E72 T73 L74	E72-Q76 VanDerWaalsContact O-CG 3.29Å; E72-Q76 WeakPolarHBondContact O-CG 3.31Å; E72-Q76 PolarHBondContact O-N 3.44Å; E72-Q76 VanDerWaalsContact O-N 3.15Å; E72-Q76 PolarHBondContact OE1-NE2 3.33Å; T73-Q76 PolarHBondContact O-N 2.99Å; L74-Q76 VanDerWaalsContact C-N 3.31Å; L74-Q76 PolarHBondContact O-N 3.05Å
77	M	87.4	Confident	85.4	Confident	55 Å²	55	92.4 Å²	92.4	27%	0.271	45%	0.452	S	S	.	.	S	Bend	trans	-78.5	136.8	179.7	-74.1	178.5	-177.7	0	0	112.1	T73 L74 F75 Q81 L82 F85	T73-M77 HydrophobicContact CG2-CE 3.99Å; T73-M77 WeakPolarHBondContact O-CG 3.33Å; T73-M77 PolarHBondContact O-N 3.02Å; L74-M77 HydrophobicContact CD2-SD 4.15Å; L74-M77 PolarHBondContact O-N 3.28Å; F75-M77 VanDerWaalsContact C-N 3.3Å; F75-M77 PolarHBondContact O-N 3.1Å; M77-Q81 HydrophobicContact CB-CB 4.12Å; M77-Q81 HydrophobicContact CG-CB 4.29Å; M77-L82 HydrophobicContact CB-CB 4.49Å; M77-F85 HydrophobicContact CE-CD2 4.35Å; M77-F85 HydrophobicContact SD-CB 4.25Å; M77-F85 HydrophobicContact SD-CG 4.41Å
78	S	88.9	Confident	85.7	Confident	61 Å²	61	92.7 Å²	92.7	43%	0.427	45%	0.448	S	S	.	.			trans	-69.1	161.8	166.8	64.6	0	0	0	0	111.7	D80 Q81 L82	S78-D80 VanDerWaalsContact C-N 3.28Å; S78-D80 PolarHBondContact O-N 2.99Å; S78-Q81 PolarHBondContact O-N 3.36Å; S78-Q81 VanDerWaalsContact OG-CD 3.31Å; S78-Q81 WeakPolarHBondContact OG-CG 3.41Å; S78-Q81 PolarHBondContact OG-OE1 3.42Å; S78-L82 PolarHBondContact O-N 3.29Å
79	R	88.3	Confident	86	Confident	218 Å²	218	91.2 Å²	91.2	82%	0.823	44%	0.44	S	S	*	.	H	α-helix	trans	-53	-40.5	178.8	179.3	178.8	162.5	179	-3.3	113.7	Q83	R79-Q83 WeakPolarHBondContact O-CB 3.35Å; R79-Q83 PolarHBondContact O-N 3.43Å
80	D	89.1	Confident	86.4	Confident	88 Å²	88	91.7 Å²	91.7	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-68.5	-39.6	178.2	-179.5	72	0	0	0	112	S78 Q83 K84	S78-D80 VanDerWaalsContact C-N 3.28Å; S78-D80 PolarHBondContact O-N 2.99Å; D80-Q83 PolarHBondContact O-N 3.37Å; D80-K84 WeakPolarHBondContact O-CG 3.18Å; D80-K84 PolarHBondContact O-N 3.43Å; D80-K84 IonicContact OD1-NZ 3.8Å; D80-K84 WeakPolarHBondContact OD2-CE 3.4Å; D80-K84 IonicContact OD2-NZ 2.69Å; D80-K84 PolarHBondContact OD2-NZ 3.02Å
81	Q	88.9	Confident	86.6	Confident	102 Å²	102	91.8 Å²	91.8	48%	0.477	45%	0.446	S	S	.	.	H	α-helix	trans	-67.8	-40.9	176.3	-71.2	167.5	-42.8	0	0	111.8	M77 S78 K84 F85	M77-Q81 HydrophobicContact CB-CB 4.12Å; M77-Q81 HydrophobicContact CG-CB 4.29Å; S78-Q81 PolarHBondContact O-N 3.36Å; S78-Q81 VanDerWaalsContact OG-CD 3.31Å; S78-Q81 WeakPolarHBondContact OG-CG 3.41Å; S78-Q81 PolarHBondContact OG-OE1 3.42Å; Q81-K84 PolarHBondContact O-N 3.48Å; Q81-F85 WeakPolarHBondContact O-CB 3.4Å; Q81-F85 PolarHBondContact O-N 3.21Å
82	L	87.5	Confident	86.8	Confident	70 Å²	70	93.9 Å²	93.9	37%	0.366	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-42.3	176.4	-172.3	67.3	0	0	0	111.3	L74 M77 S78 K84 F85 V86	L74-L82 HydrophobicContact CD2-CD1 3.59Å; M77-L82 HydrophobicContact CB-CB 4.49Å; S78-L82 PolarHBondContact O-N 3.29Å; L82-K84 PolarHBondContact O-N 3.1Å; L82-F85 WeakPolarHBondContact O-CB 3.49Å; L82-F85 PolarHBondContact O-N 3.29Å; L82-V86 WeakPolarHBondContact O-CG2 3.46Å; L82-V86 PolarHBondContact O-N 2.76Å
83	Q	86.7	Confident	86.7	Confident	102 Å²	102	93.6 Å²	93.6	48%	0.477	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-46.1	175.2	-178.9	175.9	-12.3	0	0	111.4	R79 D80 V86 Q87	R79-Q83 WeakPolarHBondContact O-CB 3.35Å; R79-Q83 PolarHBondContact O-N 3.43Å; D80-Q83 PolarHBondContact O-N 3.37Å; Q83-V86 PolarHBondContact O-N 3.09Å; Q83-Q87 WeakPolarHBondContact O-CB 3.49Å; Q83-Q87 VanDerWaalsContact O-CG 3.28Å; Q83-Q87 WeakPolarHBondContact O-CG 3.4Å; Q83-Q87 PolarHBondContact O-N 3.49Å
84	K	90.4	Very high	86.6	Confident	101 Å²	101	96.9 Å²	96.9	44%	0.439	47%	0.467	S	S	.	.	H	α-helix	trans	-60.9	-47	174.2	-75.4	168.9	179.7	160.7	0	111.1	D80 Q81 L82 V86 Q87 Y88	D80-K84 WeakPolarHBondContact O-CG 3.18Å; D80-K84 PolarHBondContact O-N 3.43Å; D80-K84 IonicContact OD1-NZ 3.8Å; D80-K84 WeakPolarHBondContact OD2-CE 3.4Å; D80-K84 IonicContact OD2-NZ 2.69Å; D80-K84 PolarHBondContact OD2-NZ 3.02Å; Q81-K84 PolarHBondContact O-N 3.48Å; L82-K84 PolarHBondContact O-N 3.1Å; K84-V86 VanDerWaalsContact C-N 3.34Å; K84-V86 PolarHBondContact O-N 3.14Å; K84-Q87 PolarHBondContact O-N 3.4Å; K84-Y88 HydrophobicContact CB-CD2 4.48Å; K84-Y88 VanDerWaalsContact O-CD2 3.27Å; K84-Y88 WeakPolarHBondContact O-CD2 3.49Å; K84-Y88 PolarHBondContact O-N 3.39Å
85	F	88.4	Confident	86.4	Confident	72 Å²	72	99.2 Å²	99.2	32%	0.316	48%	0.484	S	S	.	.	H	α-helix	trans	-53.8	-49.2	178.6	174.6	-98.6	0	0	0	112	L74 M77 Q81 L82 Y88 L89	L74-F85 HydrophobicContact CD2-CD1 3.81Å; L74-F85 HydrophobicContact CD2-CE1 3.68Å; L74-F85 HydrophobicContact CD2-CZ 4.28Å; M77-F85 HydrophobicContact CE-CD2 4.35Å; M77-F85 HydrophobicContact SD-CB 4.25Å; M77-F85 HydrophobicContact SD-CG 4.41Å; Q81-F85 WeakPolarHBondContact O-CB 3.4Å; Q81-F85 PolarHBondContact O-N 3.21Å; L82-F85 WeakPolarHBondContact O-CB 3.49Å; L82-F85 PolarHBondContact O-N 3.29Å; F85-Y88 PolarHBondContact O-N 3.4Å; F85-L89 HydrophobicContact CE1-CD2 4.42Å; F85-L89 VanDerWaalsContact O-CB 3.31Å; F85-L89 WeakPolarHBondContact O-CB 3.45Å; F85-L89 PolarHBondContact O-N 2.7Å
86	V	87.4	Confident	86.2	Confident	68 Å²	68	97.9 Å²	97.9	41%	0.412	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-43.4	178.7	175.4	0	0	0	0	111.8	L82 Q83 K84 Y88 L89 I90	L82-V86 WeakPolarHBondContact O-CG2 3.46Å; L82-V86 PolarHBondContact O-N 2.76Å; Q83-V86 PolarHBondContact O-N 3.09Å; K84-V86 VanDerWaalsContact C-N 3.34Å; K84-V86 PolarHBondContact O-N 3.14Å; V86-Y88 PolarHBondContact O-N 3.36Å; V86-L89 PolarHBondContact O-N 3.29Å; V86-I90 HydrophobicContact CG1-CD1 3.9Å; V86-I90 WeakPolarHBondContact O-CG1 3.43Å; V86-I90 PolarHBondContact O-N 3.11Å
87	Q	87.5	Confident	86.1	Confident	108 Å²	108	94 Å²	94	51%	0.505	47%	0.465	S	S	.	.	H	α-helix	trans	-61.4	-44.1	177.6	-74.3	175.1	-20.2	0	0	112.2	Q83 K84 S91	Q83-Q87 WeakPolarHBondContact O-CB 3.49Å; Q83-Q87 VanDerWaalsContact O-CG 3.28Å; Q83-Q87 WeakPolarHBondContact O-CG 3.4Å; Q83-Q87 PolarHBondContact O-N 3.49Å; K84-Q87 PolarHBondContact O-N 3.4Å; Q87-S91 PolarHBondContact O-N 3.49Å
88	Y	89.4	Confident	86	Confident	162 Å²	162	95.1 Å²	95.1	64%	0.635	47%	0.471	S	S	*	.	H	α-helix	trans	-68.7	-39.4	177.2	-85.2	-85	0	0	0	111.7	K84 F85 V86 I90 S91 V92	K84-Y88 HydrophobicContact CB-CD2 4.48Å; K84-Y88 VanDerWaalsContact O-CD2 3.27Å; K84-Y88 WeakPolarHBondContact O-CD2 3.49Å; K84-Y88 PolarHBondContact O-N 3.39Å; F85-Y88 PolarHBondContact O-N 3.4Å; V86-Y88 PolarHBondContact O-N 3.36Å; Y88-I90 PolarHBondContact O-N 2.69Å; Y88-S91 WeakPolarHBondContact CA-OG 3.49Å; Y88-S91 PolarHBondContact O-N 2.95Å; Y88-S91 VanDerWaalsContact O-N 3.14Å; Y88-S91 PolarHBondContact O-OG 3.4Å; Y88-V92 VanDerWaalsContact O-CG2 3.32Å; Y88-V92 WeakPolarHBondContact O-CG2 3.47Å; Y88-V92 PolarHBondContact O-N 3.42Å
89	L	86.4	Confident	85.7	Confident	70 Å²	70	96.4 Å²	96.4	37%	0.366	48%	0.478	S	S	.	.	H	α-helix	trans	-59.3	-45.8	175.4	-174.8	69	0	0	0	111.8	F85 V86 S91 V92 H93	F85-L89 HydrophobicContact CE1-CD2 4.42Å; F85-L89 VanDerWaalsContact O-CB 3.31Å; F85-L89 WeakPolarHBondContact O-CB 3.45Å; F85-L89 PolarHBondContact O-N 2.7Å; V86-L89 PolarHBondContact O-N 3.29Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 3.42Å; L89-V92 PolarHBondContact O-N 3.32Å; L89-H93 PolarHBondContact O-N 3.03Å
90	I	86.9	Confident	85.5	Confident	50 Å²	50	89.8 Å²	89.8	26%	0.256	46%	0.462	S	S	.	.	H	α-helix	trans	-63.4	-40.2	175.5	-66.2	168.2	0	0	0	110.4	V86 Y88 H94 L98 A101	V86-I90 HydrophobicContact CG1-CD1 3.9Å; V86-I90 WeakPolarHBondContact O-CG1 3.43Å; V86-I90 PolarHBondContact O-N 3.11Å; Y88-I90 PolarHBondContact O-N 2.69Å; I90-H94 WeakPolarHBondContact O-CA 3.34Å; I90-H94 WeakPolarHBondContact O-CB 3.49Å; I90-H94 PolarHBondContact O-N 3.21Å; I90-L98 HydrophobicContact CG2-CD1 3.76Å; I90-A101 HydrophobicContact CD1-CB 4.37Å; I90-A101 HydrophobicContact CG1-CB 4.42Å
91	S	87.8	Confident	85.3	Confident	68 Å²	68	86.8 Å²	86.8	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-41.5	179.5	76.2	0	0	0	0	113	Q87 Y88 L89 H94	Q87-S91 PolarHBondContact O-N 3.49Å; Y88-S91 WeakPolarHBondContact CA-OG 3.49Å; Y88-S91 PolarHBondContact O-N 2.95Å; Y88-S91 VanDerWaalsContact O-N 3.14Å; Y88-S91 PolarHBondContact O-OG 3.4Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 3.42Å; S91-H94 PolarHBondContact O-ND1 3.42Å
92	V	84.9	Confident	85.1	Confident	97 Å²	97	87.5 Å²	87.5	59%	0.588	45%	0.453	S	S	*	.	H	α-helix	trans	-74.9	-39.6	-176.1	176	0	0	0	0	111.1	Y88 L89	Y88-V92 VanDerWaalsContact O-CG2 3.32Å; Y88-V92 WeakPolarHBondContact O-CG2 3.47Å; Y88-V92 PolarHBondContact O-N 3.42Å; L89-V92 PolarHBondContact O-N 3.32Å
93	H	80.7	Confident	85	Confident	80 Å²	80	90.3 Å²	90.3	37%	0.37	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	40.5	-176.9	-62.6	-80.1	0	0	0	112.7	L89 T95 E96 V97	L89-H93 PolarHBondContact O-N 3.03Å; H93-T95 PolarHBondContact O-N 3.28Å; H93-T95 VanDerWaalsContact O-N 3.11Å; H93-E96 PolarHBondContact O-N 3.31Å; H93-E96 VanDerWaalsContact O-N 3.12Å; H93-V97 HydrophobicContact CB-CB 4.26Å; H93-V97 HydrophobicContact CB-CG2 3.61Å; H93-V97 WeakPolarHBondContact O-CB 3.43Å; H93-V97 PolarHBondContact O-N 2.95Å
94	H	80.8	Confident	84.8	Confident	112 Å²	112	89 Å²	89	52%	0.519	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.3	-173.2	62.6	-82.9	0	0	0	114.1	I90 S91 L98	I90-H94 WeakPolarHBondContact O-CA 3.34Å; I90-H94 WeakPolarHBondContact O-CB 3.49Å; I90-H94 PolarHBondContact O-N 3.21Å; S91-H94 PolarHBondContact O-ND1 3.42Å; H94-L98 WeakPolarHBondContact O-CB 3.45Å
95	T	80.3	Confident	84.5	Confident	105 Å²	105	86.3 Å²	86.3	64%	0.644	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-34.9	177.3	47.4	0	0	0	0	113.4	H93	H93-T95 PolarHBondContact O-N 3.28Å; H93-T95 VanDerWaalsContact O-N 3.11Å
96	E	77.4	Confident	84.3	Confident	145 Å²	145	87.7 Å²	87.7	68%	0.678	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-35.6	-172.8	-65.6	176.1	176.3	0	0	112.3	H93	H93-E96 PolarHBondContact O-N 3.31Å; H93-E96 VanDerWaalsContact O-N 3.12Å
97	V	83.8	Confident	84.1	Confident	41 Å²	41	87.7 Å²	87.7	25%	0.248	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-28.8	-170.3	177.6	0	0	0	0	112.3	H93 T100 A101	H93-V97 HydrophobicContact CB-CB 4.26Å; H93-V97 HydrophobicContact CB-CG2 3.61Å; H93-V97 WeakPolarHBondContact O-CB 3.43Å; H93-V97 PolarHBondContact O-N 2.95Å; V97-T100 PolarHBondContact O-N 3.14Å; V97-A101 HydrophobicContact CG1-CB 4.15Å; V97-A101 VanDerWaalsContact O-CB 3.22Å; V97-A101 WeakPolarHBondContact O-CB 3.46Å; V97-A101 PolarHBondContact O-N 3.43Å
98	L	83.9	Confident	83.8	Confident	78 Å²	78	86.8 Å²	86.8	41%	0.408	46%	0.458	S	S	.	.	H	α-helix	trans	-59.1	-46.2	-172.1	-173.5	72	0	0	0	114	I90 H94 T100 A101 Q102	I90-L98 HydrophobicContact CG2-CD1 3.76Å; H94-L98 WeakPolarHBondContact O-CB 3.45Å; L98-T100 VanDerWaalsContact C-N 3.34Å; L98-T100 PolarHBondContact O-N 3.18Å; L98-A101 PolarHBondContact O-N 3.18Å; L98-Q102 WeakPolarHBondContact O-CB 3.48Å; L98-Q102 PolarHBondContact O-N 3.36Å
99	P	83.9	Confident	83.4	Confident	87 Å²	87	85.9 Å²	85.9	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-62.6	-41.4	178.3	-21.3	33.8	0	0	0	112.4	Q102 K103	P99-Q102 PolarHBondContact O-N 3.42Å; P99-K103 PolarHBondContact O-N 3.21Å; P99-K103 VanDerWaalsContact O-N 3.08Å
100	T	82.9	Confident	83.2	Confident	80 Å²	80	85 Å²	85	49%	0.491	46%	0.463	S	S	.	.	H	α-helix	trans	-69.6	-43	178.8	-52	0	0	0	0	111.4	V97 L98 Q102 K103 L104	V97-T100 PolarHBondContact O-N 3.14Å; L98-T100 VanDerWaalsContact C-N 3.34Å; L98-T100 PolarHBondContact O-N 3.18Å; T100-Q102 VanDerWaalsContact C-N 3.3Å; T100-Q102 PolarHBondContact O-N 3.36Å; T100-K103 PolarHBondContact O-N 3.5Å; T100-L104 HydrophobicContact CG2-CD1 4.07Å; T100-L104 HydrophobicContact CG2-CG 4.45Å; T100-L104 WeakPolarHBondContact O-CB 3.43Å; T100-L104 VanDerWaalsContact O-CG 3.31Å; T100-L104 WeakPolarHBondContact O-CG 3.5Å; T100-L104 PolarHBondContact O-N 3.41Å
101	A	84.9	Confident	82.4	Confident	24 Å²	24	91.1 Å²	91.1	20%	0.198	49%	0.491	C	S	.	.	H	α-helix	trans	-62.4	-38	176.8	0	0	0	0	0	111.6	I90 V97 L98 A105	I90-A101 HydrophobicContact CD1-CB 4.37Å; I90-A101 HydrophobicContact CG1-CB 4.42Å; V97-A101 HydrophobicContact CG1-CB 4.15Å; V97-A101 VanDerWaalsContact O-CB 3.22Å; V97-A101 WeakPolarHBondContact O-CB 3.46Å; V97-A101 PolarHBondContact O-N 3.43Å; L98-A101 PolarHBondContact O-N 3.18Å; A101-A105 VanDerWaalsContact O-CB 3.24Å; A101-A105 WeakPolarHBondContact O-CB 3.39Å; A101-A105 PolarHBondContact O-N 3.16Å
102	Q	84.1	Confident	81.6	Confident	117 Å²	117	94.6 Å²	94.6	55%	0.547	50%	0.504	S	S	.	.	H	α-helix	trans	-68.4	-44.9	176.7	-167.6	145.5	9.4	0	0	111.7	L98 P99 T100 L104 A105 D106	L98-Q102 WeakPolarHBondContact O-CB 3.48Å; L98-Q102 PolarHBondContact O-N 3.36Å; P99-Q102 PolarHBondContact O-N 3.42Å; T100-Q102 VanDerWaalsContact C-N 3.3Å; T100-Q102 PolarHBondContact O-N 3.36Å; Q102-L104 PolarHBondContact O-N 3Å; Q102-A105 PolarHBondContact O-N 3.03Å; Q102-D106 VanDerWaalsContact O-CG 3.28Å; Q102-D106 PolarHBondContact O-N 3.04Å
103	K	85.4	Confident	81.2	Confident	130 Å²	130	90.6 Å²	90.6	57%	0.565	48%	0.481	S	S	*	.	H	α-helix	trans	-57.2	-48.3	172.5	-179.2	-178.1	170.6	-176.1	0	112.2	P99 T100 D106 E107	P99-K103 PolarHBondContact O-N 3.21Å; P99-K103 VanDerWaalsContact O-N 3.08Å; T100-K103 PolarHBondContact O-N 3.5Å; K103-D106 PolarHBondContact O-N 3.02Å; K103-E107 WeakPolarHBondContact CE-OE1 3.39Å; K103-E107 IonicContact NZ-OE1 2.79Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 3.46Å
104	L	83.4	Confident	80.8	Confident	74 Å²	74	94.6 Å²	94.6	39%	0.387	50%	0.499	S	S	.	.	H	α-helix	trans	-65.4	-37.9	179	-71	172.2	0	0	0	112	T100 Q102 E107 I108 I115	T100-L104 HydrophobicContact CG2-CD1 4.07Å; T100-L104 HydrophobicContact CG2-CG 4.45Å; T100-L104 WeakPolarHBondContact O-CB 3.43Å; T100-L104 VanDerWaalsContact O-CG 3.31Å; T100-L104 WeakPolarHBondContact O-CG 3.5Å; T100-L104 PolarHBondContact O-N 3.41Å; Q102-L104 PolarHBondContact O-N 3Å; L104-E107 PolarHBondContact O-N 3.24Å; L104-I108 WeakPolarHBondContact O-CB 3.34Å; L104-I108 WeakPolarHBondContact O-CD1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3.41Å; L104-I115 HydrophobicContact CD2-CD1 3.98Å
105	A	83.6	Confident	80.5	Confident	44 Å²	44	92.8 Å²	92.8	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-45	175.5	0	0	0	0	0	111.5	A101 Q102 E107 I108 L109	A101-A105 VanDerWaalsContact O-CB 3.24Å; A101-A105 WeakPolarHBondContact O-CB 3.39Å; A101-A105 PolarHBondContact O-N 3.16Å; Q102-A105 PolarHBondContact O-N 3.03Å; A105-E107 PolarHBondContact O-N 2.97Å; A105-I108 PolarHBondContact O-N 3.24Å; A105-L109 WeakPolarHBondContact O-CB 3.4Å; A105-L109 WeakPolarHBondContact O-CD1 3.38Å; A105-L109 WeakPolarHBondContact O-CG 3.37Å; A105-L109 PolarHBondContact O-N 3.31Å
106	D	84.9	Confident	80.1	Confident	102 Å²	102	90.9 Å²	90.9	55%	0.545	48%	0.478	S	S	.	.	H	α-helix	trans	-62.6	-42.1	176.9	-68	-23.1	0	0	0	111.5	Q102 K103 S110	Q102-D106 VanDerWaalsContact O-CG 3.28Å; Q102-D106 PolarHBondContact O-N 3.04Å; K103-D106 PolarHBondContact O-N 3.02Å; D106-S110 PolarHBondContact O-N 3.47Å
107	E	82.1	Confident	79.7	Confident	67 Å²	67	89.7 Å²	89.7	31%	0.313	47%	0.473	S	S	.	.	H	α-helix	trans	-65.9	-44.5	176.8	-73.8	174.7	-169.9	0	0	112.2	K103 L104 A105 L109 S110 S113 I115	K103-E107 WeakPolarHBondContact CE-OE1 3.39Å; K103-E107 IonicContact NZ-OE1 2.79Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 3.46Å; L104-E107 PolarHBondContact O-N 3.24Å; A105-E107 PolarHBondContact O-N 2.97Å; E107-L109 PolarHBondContact O-N 3.35Å; E107-S110 PolarHBondContact O-N 3.44Å; E107-S110 PolarHBondContact O-OG 2.93Å; E107-S113 WeakPolarHBondContact O-CB 3.41Å; E107-S113 PolarHBondContact O-OG 2.92Å; E107-I115 HydrophobicContact CB-CD1 3.96Å; E107-I115 WeakPolarHBondContact OE2-CD1 3.36Å
108	I	81.4	Confident	78.8	Confident	90 Å²	90	91.6 Å²	91.6	46%	0.462	49%	0.485	S	S	.	.	H	α-helix	trans	-67.6	-34.4	178.4	-69.2	165.5	0	0	0	111.7	L104 A105 S110 I115 N116	L104-I108 WeakPolarHBondContact O-CB 3.34Å; L104-I108 WeakPolarHBondContact O-CD1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3.41Å; A105-I108 PolarHBondContact O-N 3.24Å; I108-S110 VanDerWaalsContact C-N 3.27Å; I108-S110 PolarHBondContact O-N 3.42Å; I108-I115 HydrophobicContact CG1-CD1 4.38Å; I108-I115 HydrophobicContact CG1-CG2 3.92Å; I108-N116 PolarHBondContact O-ND2 3.29Å
109	L	81.8	Confident	77.2	Confident	142 Å²	142	96.3 Å²	96.3	74%	0.743	50%	0.504	S	S	*	.	H	α-helix	trans	-73.3	-20	176.3	-70.9	169.8	0	0	0	112.7	A105 E107	A105-L109 WeakPolarHBondContact O-CB 3.4Å; A105-L109 WeakPolarHBondContact O-CD1 3.38Å; A105-L109 WeakPolarHBondContact O-CG 3.37Å; A105-L109 PolarHBondContact O-N 3.31Å; E107-L109 PolarHBondContact O-N 3.35Å
110	S	82.7	Confident	75.9	Confident	51 Å²	51	96.1 Å²	96.1	36%	0.357	52%	0.518	S	S	.	.	S	Bend	trans	-82.3	125	176.8	78.8	0	0	0	0	112	D106 E107 I108 N112 S113 N116	D106-S110 PolarHBondContact O-N 3.47Å; E107-S110 PolarHBondContact O-N 3.44Å; E107-S110 PolarHBondContact O-OG 2.93Å; I108-S110 VanDerWaalsContact C-N 3.27Å; I108-S110 PolarHBondContact O-N 3.42Å; S110-N112 PolarHBondContact O-N 3.46Å; S110-S113 PolarHBondContact O-N 3.21Å; S110-S113 PolarHBondContact O-OG 3.24Å; S110-S113 WeakPolarHBondContact OG-CB 3.35Å; S110-N116 PolarHBondContact O-ND2 2.96Å
111	Q	69.1	Low	74.6	Confident	179 Å²	179	97.2 Å²	97.2	84%	0.836	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.5	-174.5	-72	-178.7	-8.1	0	0	114.5
112	N	71.6	Confident	73.5	Confident	141 Å²	141	99.6 Å²	99.6	75%	0.754	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	6.8	-176.3	-67.7	-17.9	0	0	0	113.7	S110 Q117	S110-N112 PolarHBondContact O-N 3.46Å; N112-Q117 PolarHBondContact O-NE2 3.17Å
113	S	76.4	Confident	72.8	Confident	14 Å²	14	98.4 Å²	98.4	10%	0.098	56%	0.561	C	S	.	*			trans	-69.6	149.4	-179.5	58.9	0	0	0	0	112.7	E107 S110 I115 N116 Q117	E107-S113 WeakPolarHBondContact O-CB 3.41Å; E107-S113 PolarHBondContact O-OG 2.92Å; S110-S113 PolarHBondContact O-N 3.21Å; S110-S113 PolarHBondContact O-OG 3.24Å; S110-S113 WeakPolarHBondContact OG-CB 3.35Å; S113-I115 PolarHBondContact O-N 2.95Å; S113-N116 PolarHBondContact O-N 3.41Å; S113-N116 VanDerWaalsContact O-N 3.11Å; S113-N116 PolarHBondContact OG-ND2 3.24Å; S113-Q117 WeakPolarHBondContact O-CG 3.39Å; S113-Q117 PolarHBondContact O-N 3.32Å
114	E	71.4	Confident	71.9	Confident	164 Å²	164	98.2 Å²	98.2	77%	0.766	57%	0.574	S	S	*	*	H	α-helix	trans	-56.5	-34.3	174.4	-64.5	-176.9	167.9	0	0	111.5	N116 Q117 V118	E114-N116 VanDerWaalsContact C-N 3.31Å; E114-N116 PolarHBondContact O-N 3.33Å; E114-Q117 PolarHBondContact O-N 3.07Å; E114-V118 WeakPolarHBondContact O-CG2 3.39Å; E114-V118 PolarHBondContact O-N 2.62Å
115	I	74.5	Confident	71.4	Confident	73 Å²	73	95.9 Å²	95.9	37%	0.374	56%	0.562	S	S	.	*	H	α-helix	trans	-59.9	-39.4	177.8	-59	178.5	0	0	0	111.9	L104 E107 I108 S113	L104-I115 HydrophobicContact CD2-CD1 3.98Å; E107-I115 HydrophobicContact CB-CD1 3.96Å; E107-I115 WeakPolarHBondContact OE2-CD1 3.36Å; I108-I115 HydrophobicContact CG1-CD1 4.38Å; I108-I115 HydrophobicContact CG1-CG2 3.92Å; S113-I115 PolarHBondContact O-N 2.95Å
116	N	72.3	Confident	70.8	Confident	65 Å²	65	98.9 Å²	98.9	35%	0.348	58%	0.577	S	S	.	*	H	α-helix	trans	-85.1	-16.9	179.3	-71.7	-31.9	0	0	0	113.3	I108 S110 S113 E114	I108-N116 PolarHBondContact O-ND2 3.29Å; S110-N116 PolarHBondContact O-ND2 2.96Å; S113-N116 PolarHBondContact O-N 3.41Å; S113-N116 VanDerWaalsContact O-N 3.11Å; S113-N116 PolarHBondContact OG-ND2 3.24Å; E114-N116 VanDerWaalsContact C-N 3.31Å; E114-N116 PolarHBondContact O-N 3.33Å
117	Q	68.9	Low	70.3	Confident	121 Å²	121	96 Å²	96	57%	0.565	56%	0.563	S	S	*	*	H	α-helix	trans	-80.7	-28	177.8	-70.5	178.9	29	0	0	112.7	N112 S113 E114 H119	N112-Q117 PolarHBondContact O-NE2 3.17Å; S113-Q117 WeakPolarHBondContact O-CG 3.39Å; S113-Q117 PolarHBondContact O-N 3.32Å; E114-Q117 PolarHBondContact O-N 3.07Å; Q117-H119 PolarHBondContact O-N 3.12Å; Q117-H119 PolarHBondContact O-ND1 3.29Å
118	V	65.6	Low	69.9	Low	81 Å²	81	94.8 Å²	94.8	49%	0.491	57%	0.565	S	S	.	*	S	Bend	trans	-70.9	90.8	174.8	-179.4	0	0	0	0	109.7	E114 G120 T121	E114-V118 WeakPolarHBondContact O-CG2 3.39Å; E114-V118 PolarHBondContact O-N 2.62Å; V118-G120 PolarHBondContact O-N 3.27Å; V118-T121 WeakPolarHBondContact CG1-O 3.32Å; V118-T121 VanDerWaalsContact CG1-OG1 3.22Å; V118-T121 WeakPolarHBondContact CG1-OG1 3.34Å
119	H	50.3	Low	69.3	Low	176 Å²	176	92.1 Å²	92.1	82%	0.815	56%	0.559	S	S	*	*			trans	-76.1	111.6	176	-75.8	61.5	0	0	0	110.5	Q117	Q117-H119 PolarHBondContact O-N 3.12Å; Q117-H119 PolarHBondContact O-ND1 3.29Å
120	G	56.7	Low	68.7	Low	83 Å²	83	87.8 Å²	87.8	86%	0.856	54%	0.544	S	S	*	.	S	Bend	trans	101.5	-6.3	159.9	0	0	0	0	0	117.6	V118	V118-G120 PolarHBondContact O-N 3.27Å
121	T	54.9	Low	67.9	Low	104 Å²	104	88.2 Å²	88.2	64%	0.638	55%	0.547	S	S	*	.			trans	-121.4	112.7	171.3	50	0	0	0	0	109.1	V118	V118-T121 WeakPolarHBondContact CG1-O 3.32Å; V118-T121 VanDerWaalsContact CG1-OG1 3.22Å; V118-T121 WeakPolarHBondContact CG1-OG1 3.34Å
122	G	63.2	Low	67.6	Low	73 Å²	73	85.8 Å²	85.8	75%	0.753	55%	0.545	S	S	*	.			trans	-60.2	174.7	174.3	0	0	0	0	0	112.5
123	A	67.9	Low	67	Low	92 Å²	92	86.6 Å²	86.6	76%	0.76	55%	0.549	S	S	*	.	S	Bend	trans	-54.5	144.8	174	0	0	0	0	0	111	D125	A123-D125 PolarHBondContact O-N 2.91Å
124	P	67.9	Low	66.6	Low	126 Å²	126	89.7 Å²	89.7	82%	0.818	56%	0.564	S	S	*	*			trans	-58.7	124.2	179.1	22.7	-31.9	0	0	0	110.4	P126	P124-P126 WeakPolarHBondContact O-CD 3.48Å
125	D	72.3	Confident	66	Low	26 Å²	26	88 Å²	88	14%	0.139	56%	0.556	C	S	.	*			trans	-81.2	114.7	-178.7	179.4	-7.3	0	0	0	110.6	P69 I70 S71 A123 T127 A128	P69-D125 VanDerWaalsContact CB-OD2 3.24Å; P69-D125 WeakPolarHBondContact CB-OD2 3.48Å; I70-D125 WeakPolarHBondContact CG2-OD1 3.34Å; I70-D125 PolarHBondContact N-OD2 3.02Å; S71-D125 WeakPolarHBondContact CB-OD2 3.49Å; S71-D125 PolarHBondContact N-OD2 3.48Å; S71-D125 PolarHBondContact OG-OD2 2.9Å; A123-D125 PolarHBondContact O-N 2.91Å; D125-T127 VanDerWaalsContact CG-OG1 3.27Å; D125-T127 PolarHBondContact O-N 3.21Å; D125-T127 VanDerWaalsContact O-N 3.11Å; D125-T127 WeakPolarHBondContact OD1-CA 3.4Å; D125-T127 WeakPolarHBondContact OD1-CB 3.49Å; D125-T127 PolarHBondContact OD1-N 3.49Å; D125-T127 PolarHBondContact OD1-OG1 3.2Å; D125-T127 PolarHBondContact OD2-OG1 3.38Å; D125-A128 HydrophobicContact CB-CB 3.7Å; D125-A128 PolarHBondContact O-N 3.47Å; D125-A128 VanDerWaalsContact O-N 3.16Å
126	P	69.9	Low	65.8	Low	107 Å²	107	86.7 Å²	86.7	70%	0.695	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-13	179.5	29	-35.6	0	0	0	114	P124	P124-P126 WeakPolarHBondContact O-CD 3.48Å
127	T	75.8	Confident	65.9	Low	41 Å²	41	84.9 Å²	84.9	25%	0.252	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-8.3	178.4	68	0	0	0	0	113.7	P69 I70 D125	P69-T127 WeakPolarHBondContact CA-OG1 3.25Å; I70-T127 HydrophobicContact CG2-CG2 4.39Å; I70-T127 PolarHBondContact N-OG1 3.21Å; D125-T127 VanDerWaalsContact CG-OG1 3.27Å; D125-T127 PolarHBondContact O-N 3.21Å; D125-T127 VanDerWaalsContact O-N 3.11Å; D125-T127 WeakPolarHBondContact OD1-CA 3.4Å; D125-T127 WeakPolarHBondContact OD1-CB 3.49Å; D125-T127 PolarHBondContact OD1-N 3.49Å; D125-T127 PolarHBondContact OD1-OG1 3.2Å; D125-T127 PolarHBondContact OD2-OG1 3.38Å
128	A	72.2	Confident	66.5	Low	41 Å²	41	82.3 Å²	82.3	34%	0.339	53%	0.527	S	S	.	.	S	Bend	trans	-82.6	-10.9	179.9	0	0	0	0	0	113.9	F2 P69 D125	F2-A128 WeakPolarHBondContact CD2-O 3.44Å; P69-A128 HydrophobicContact CB-CB 4.16Å; P69-A128 HydrophobicContact CG-CB 4.47Å; D125-A128 HydrophobicContact CB-CB 3.7Å; D125-A128 PolarHBondContact O-N 3.47Å; D125-A128 VanDerWaalsContact O-N 3.16Å
129	G	69.6	Low	67.1	Low	34 Å²	34	80.9 Å²	80.9	35%	0.351	52%	0.515	S	S	.	.			trans	80.7	172.2	-177.5	0	0	0	0	0	113.2
130	A	68.7	Low	68.6	Low	51 Å²	51	73.6 Å²	73.6	42%	0.421	48%	0.482	S	S	.	.			trans	-78	159.5	178.1	0	0	0	0	0	111.6	D134	A130-D134 HydrophobicContact CB-CB 3.93Å
131	S	66.6	Low	69.8	Low	61 Å²	61	72.5 Å²	72.5	43%	0.427	46%	0.457	S	S	.	.			trans	-70.8	164.1	175.4	74.9	0	0	0	0	111.8	D133 D134	S131-D133 PolarHBondContact O-N 3.11Å; S131-D134 WeakPolarHBondContact CB-OD2 3.33Å; S131-D134 PolarHBondContact N-OD2 3.09Å; S131-D134 PolarHBondContact O-N 3.36Å; S131-D134 PolarHBondContact OG-OD1 3.29Å; S131-D134 PolarHBondContact OG-OD2 2.83Å
132	V	62.3	Low	71.2	Confident	128 Å²	128	70.5 Å²	70.5	78%	0.776	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.4	-179.5	179.9	0	0	0	0	112.1	R29	R29-V132 PolarHBondContact NH1-O 2.93Å
133	D	60.6	Low	72.2	Confident	157 Å²	157	74.1 Å²	74.1	84%	0.84	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.1	-176.7	-64.5	-40.1	0	0	0	113.8	S131	S131-D133 PolarHBondContact O-N 3.11Å
134	D	66.3	Low	72.9	Confident	79 Å²	79	70.4 Å²	70.4	42%	0.422	40%	0.404	S	S	.	.	S	Bend	trans	-71	152	177	-69	-39.4	0	0	0	111.3	R29 A130 S131	R29-D134 PolarHBondContact NH2-O 3.18Å; A130-D134 HydrophobicContact CB-CB 3.93Å; S131-D134 WeakPolarHBondContact CB-OD2 3.33Å; S131-D134 PolarHBondContact N-OD2 3.09Å; S131-D134 PolarHBondContact O-N 3.36Å; S131-D134 PolarHBondContact OG-OD1 3.29Å; S131-D134 PolarHBondContact OG-OD2 2.83Å
135	E	59.6	Low	73.8	Confident	128 Å²	128	64.4 Å²	64.4	60%	0.598	37%	0.366	S	S	*	.			trans	-74.5	127.3	176	-66.2	-157.2	165.1	0	0	111.2
136	N	70.4	Confident	74.5	Confident	47 Å²	47	66.2 Å²	66.2	25%	0.251	37%	0.373	S	S	.	.			trans	-94.1	92.9	174.5	53.1	-2.7	0	0	0	111.8	D28 R29 K31	D28-N136 WeakPolarHBondContact OD2-CB 3.31Å; R29-N136 VanDerWaalsContact CZ-CG 3.45Å; R29-N136 PolarHBondContact NE-ND2 2.94Å; K31-N136 HydrophobicContact CD-CB 4.23Å; K31-N136 VanDerWaalsContact CD-O 3.28Å; K31-N136 WeakPolarHBondContact CD-O 3.43Å; K31-N136 WeakPolarHBondContact CE-O 3.42Å; K31-N136 PolarHBondContact NZ-O 2.84Å
137	C	75.3	Confident	75.3	Confident	27 Å²	27	65.8 Å²	65.8	18%	0.182	36%	0.362	C	S	.	.			trans	-110.8	148.5	178.3	-51.2	0	0	0	0	110.6	D180 S181 N182	C137-D180 WeakPolarHBondContact CA-OD2 3.27Å; C137-S181 PolarHBondContact SG-OG 3.27Å; C137-N182 WeakPolarHBondContact CB-ND2 3.14Å
138	W	80.3	Confident	75.8	Confident	67 Å²	67	65.7 Å²	65.7	25%	0.254	36%	0.359	S	S	.	.			trans	-59.1	153.7	168	-72.9	-23.7	0	0	0	111.4	I32 L140 M175 M178 D180 N182	I32-W138 CarbonylContact O-C 3.58Å; I32-W138 WeakPolarHBondContact O-CA 3.42Å; W138-L140 PolarHBondContact O-N 3.37Å; W138-M175 HydrophobicContact CB-CE 4.18Å; W138-M175 HydrophobicContact CE3-CE 3.86Å; W138-M175 HydrophobicContact CE3-CG 3.78Å; W138-M175 HydrophobicContact CZ3-CG 3.79Å; W138-M178 HydrophobicContact CH2-CB 4.01Å; W138-M178 HydrophobicContact CH2-CG 3.64Å; W138-M178 HydrophobicContact CZ2-CB 4.17Å; W138-M178 HydrophobicContact CZ2-CG 3.95Å; W138-D180 PolarHBondContact N-OD2 3.27Å; W138-N182 PolarHBondContact O-ND2 3.34Å
139	H	79.3	Confident	76.6	Confident	50 Å²	50	63.8 Å²	63.8	23%	0.231	34%	0.342	C	S	.	.			trans	-61	131	169.6	-175.8	65.2	0	0	0	110.5	I32 Y46	I32-H139 PolarHBondContact O-N 3.22Å; Y46-H139 HydrophobicContact CE1-CB 4.28Å
140	L	81.6	Confident	77.4	Confident	23 Å²	23	68.6 Å²	68.6	12%	0.12	35%	0.354	C	S	.	.			trans	-139	118.7	175.3	-176.8	73.1	0	0	0	109.2	F45 W138 V145 N182 M186 L189	F45-L140 HydrophobicContact CE1-CD1 4.28Å; F45-L140 HydrophobicContact CZ-CD1 4.45Å; W138-L140 PolarHBondContact O-N 3.37Å; L140-V145 HydrophobicContact CD1-CG2 3.94Å; L140-N182 HydrophobicContact CD2-CB 4.16Å; L140-M186 HydrophobicContact CD1-CB 4.47Å; L140-M186 HydrophobicContact CD1-CG 4.43Å; L140-M186 HydrophobicContact CD1-SD 4.37Å; L140-M186 HydrophobicContact CD2-CB 4.16Å; L140-L189 HydrophobicContact CD2-CD1 4.5Å
141	D	81.5	Confident	78.3	Confident	61 Å²	61	70.4 Å²	70.4	33%	0.326	36%	0.356	S	S	.	.			trans	-88	106	172.4	-175	-26.4	0	0	0	109.8	E143 Q144 V145	D141-E143 PolarHBondContact OD1-N 3.29Å; D141-Q144 HydrophobicContact CB-CB 3.87Å; D141-Q144 WeakPolarHBondContact OD1-CB 3.43Å; D141-Q144 PolarHBondContact OD1-N 3.17Å; D141-Q144 VanDerWaalsContact OD1-N 3.07Å; D141-V145 VanDerWaalsContact O-CG2 3.28Å; D141-V145 WeakPolarHBondContact O-CG2 3.39Å; D141-V145 PolarHBondContact O-N 3.22Å; D141-V145 VanDerWaalsContact O-N 3.13Å
142	E	84.5	Confident	79.2	Confident	62 Å²	62	68.8 Å²	68.8	29%	0.29	34%	0.341	S	S	.	.	H	α-helix	trans	-68.8	-42.4	-175.1	-58.9	-161.9	117.8	0	0	113.4	Q144 V145 Q146 R185 L189	E142-Q144 VanDerWaalsContact C-N 3.27Å; E142-Q144 PolarHBondContact O-N 3.47Å; E142-V145 PolarHBondContact O-N 2.87Å; E142-Q146 WeakPolarHBondContact O-CG 3.48Å; E142-Q146 PolarHBondContact O-N 3.01Å; E142-R185 IonicContact OE1-CZ 3.38Å; E142-R185 IonicContact OE1-NE 3.09Å; E142-R185 PolarHBondContact OE1-NE 3.13Å; E142-R185 IonicContact OE1-NH2 3.16Å; E142-R185 PolarHBondContact OE1-NH2 3.14Å; E142-R185 IonicContact OE2-CZ 3.74Å; E142-R185 IonicContact OE2-NE 2.88Å; E142-R185 IonicContact OE2-NH2 3.39Å; E142-R185 PolarHBondContact OE2-NH2 3.47Å; E142-L189 HydrophobicContact CB-CD1 3.8Å; E142-L189 HydrophobicContact CB-CD2 4.48Å; E142-L189 HydrophobicContact CG-CD1 3.87Å
143	E	84.3	Confident	80.2	Confident	148 Å²	148	63.1 Å²	63.1	69%	0.692	31%	0.307	S	S	*	.	H	α-helix	trans	-62.9	-42.5	-177.8	-66.2	-171.3	167.7	0	0	109.6	D141 Q146 E147	D141-E143 PolarHBondContact OD1-N 3.29Å; E143-Q146 PolarHBondContact O-N 3.49Å; E143-E147 WeakPolarHBondContact O-CB 3.36Å; E143-E147 WeakPolarHBondContact O-CG 3Å; E143-E147 PolarHBondContact O-N 3.38Å
144	Q	82.8	Confident	81.1	Confident	15 Å²	15	59.6 Å²	59.6	7%	0.07	29%	0.294	C	S	.	.	H	α-helix	trans	-66.5	-41.6	177.7	-176	-179.6	43	0	0	113.4	K42 D43 I44 D141 E142 Q146 E147 Q148	K42-Q144 PolarHBondContact O-NE2 2.94Å; D43-Q144 VanDerWaalsContact N-NE2 3.1Å; D43-Q144 PolarHBondContact O-NE2 3.01Å; D43-Q144 PolarHBondContact O-OE1 2.93Å; I44-Q144 VanDerWaalsContact CA-OE1 3.29Å; I44-Q144 HydrophobicContact CG1-CG 4.35Å; D141-Q144 HydrophobicContact CB-CB 3.87Å; D141-Q144 WeakPolarHBondContact OD1-CB 3.43Å; D141-Q144 PolarHBondContact OD1-N 3.17Å; D141-Q144 VanDerWaalsContact OD1-N 3.07Å; E142-Q144 VanDerWaalsContact C-N 3.27Å; E142-Q144 PolarHBondContact O-N 3.47Å; Q144-Q146 VanDerWaalsContact C-N 3.3Å; Q144-Q146 PolarHBondContact O-N 3Å; Q144-E147 PolarHBondContact O-N 3.22Å; Q144-Q148 HydrophobicContact CG-CG 4.47Å; Q144-Q148 WeakPolarHBondContact O-CB 3.23Å; Q144-Q148 WeakPolarHBondContact O-CG 3.33Å; Q144-Q148 PolarHBondContact O-N 3.46Å
145	V	85.8	Confident	81.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-46.4	173.9	169.9	0	0	0	0	109.9	I44 L140 D141 E142 Q148 V149 M186 L189 I190	I44-V145 HydrophobicContact CG1-CG2 4.37Å; I44-V145 HydrophobicContact CG2-CG2 3.55Å; L140-V145 HydrophobicContact CD1-CG2 3.94Å; D141-V145 VanDerWaalsContact O-CG2 3.28Å; D141-V145 WeakPolarHBondContact O-CG2 3.39Å; D141-V145 PolarHBondContact O-N 3.22Å; D141-V145 VanDerWaalsContact O-N 3.13Å; E142-V145 PolarHBondContact O-N 2.87Å; V145-Q148 PolarHBondContact O-N 3.25Å; V145-V149 HydrophobicContact CG1-CG2 4.36Å; V145-V149 WeakPolarHBondContact O-CB 3.42Å; V145-V149 WeakPolarHBondContact O-CG2 3.32Å; V145-V149 PolarHBondContact O-N 3.43Å; V145-M186 HydrophobicContact CG1-CG 4.42Å; V145-L189 HydrophobicContact CB-CD1 4.3Å; V145-L189 HydrophobicContact CG1-CB 4.04Å; V145-L189 HydrophobicContact CG1-CD1 4.24Å; V145-I190 HydrophobicContact CG1-CG1 4.36Å
146	Q	88.2	Confident	81.1	Confident	64 Å²	64	57.4 Å²	57.4	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-47.8	178.6	-70.4	-179.4	-13.6	0	0	111.9	E142 E143 Q144 K150 L189 Q193	E142-Q146 WeakPolarHBondContact O-CG 3.48Å; E142-Q146 PolarHBondContact O-N 3.01Å; E143-Q146 PolarHBondContact O-N 3.49Å; Q144-Q146 VanDerWaalsContact C-N 3.3Å; Q144-Q146 PolarHBondContact O-N 3Å; Q146-K150 VanDerWaalsContact O-CB 3.26Å; Q146-K150 WeakPolarHBondContact O-CB 3.45Å; Q146-K150 PolarHBondContact O-N 2.71Å; Q146-L189 HydrophobicContact CG-CB 4.31Å; Q146-L189 HydrophobicContact CG-CD2 4.08Å; Q146-L189 VanDerWaalsContact NE2-CD2 3.34Å; Q146-Q193 HydrophobicContact CB-CG 4.24Å; Q146-Q193 HydrophobicContact CG-CG 4.36Å
147	E	86.9	Confident	80	Confident	98 Å²	98	57.6 Å²	57.6	46%	0.458	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-47.4	177.3	-77.7	-170.3	168.3	0	0	111.7	K42 E143 Q144 K150 L151	K42-E147 IonicContact NZ-OE2 3.91Å; K42-E147 PolarHBondContact NZ-OE2 3.38Å; E143-E147 WeakPolarHBondContact O-CB 3.36Å; E143-E147 WeakPolarHBondContact O-CG 3Å; E143-E147 PolarHBondContact O-N 3.38Å; Q144-E147 PolarHBondContact O-N 3.22Å; E147-K150 PolarHBondContact O-N 3.38Å; E147-L151 WeakPolarHBondContact O-CB 3.11Å; E147-L151 VanDerWaalsContact O-CG 3.26Å; E147-L151 WeakPolarHBondContact O-CG 3.47Å; E147-L151 PolarHBondContact O-N 3.43Å
148	Q	85.7	Confident	78.9	Confident	39 Å²	39	61.3 Å²	61.3	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-44.3	-178.6	-74.7	-155.2	6.5	0	0	112.5	K42 I44 Q144 V145 K150 L151 F152	K42-Q148 PolarHBondContact O-NE2 3.04Å; I44-Q148 HydrophobicContact CD1-CB 4.14Å; I44-Q148 HydrophobicContact CD1-CG 4.33Å; I44-Q148 HydrophobicContact CG1-CG 4.26Å; I44-Q148 VanDerWaalsContact CG1-OE1 3.29Å; Q144-Q148 HydrophobicContact CG-CG 4.47Å; Q144-Q148 WeakPolarHBondContact O-CB 3.23Å; Q144-Q148 WeakPolarHBondContact O-CG 3.33Å; Q144-Q148 PolarHBondContact O-N 3.46Å; V145-Q148 PolarHBondContact O-N 3.25Å; Q148-K150 VanDerWaalsContact C-N 3.31Å; Q148-K150 PolarHBondContact O-N 3.48Å; Q148-L151 WeakPolarHBondContact O-CB 3.26Å; Q148-L151 PolarHBondContact O-N 3.02Å; Q148-F152 HydrophobicContact CB-CE2 4.15Å; Q148-F152 HydrophobicContact CB-CZ 4.37Å; Q148-F152 VanDerWaalsContact O-CD2 3.29Å; Q148-F152 WeakPolarHBondContact O-CD2 3.42Å; Q148-F152 VanDerWaalsContact O-CG 3.24Å; Q148-F152 WeakPolarHBondContact O-CG 3.47Å; Q148-F152 PolarHBondContact O-N 3.23Å
149	V	88	Confident	77.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-43.1	176.9	176	0	0	0	0	110	V145 L151 F152 L153 L165 L168 I190 Q193 F194	V145-V149 HydrophobicContact CG1-CG2 4.36Å; V145-V149 WeakPolarHBondContact O-CB 3.42Å; V145-V149 WeakPolarHBondContact O-CG2 3.32Å; V145-V149 PolarHBondContact O-N 3.43Å; V149-L151 VanDerWaalsContact C-N 3.33Å; V149-L151 PolarHBondContact O-N 3.37Å; V149-F152 PolarHBondContact O-N 2.95Å; V149-L153 HydrophobicContact CG1-CD1 3.86Å; V149-L153 HydrophobicContact CG1-CG 4.27Å; V149-L153 WeakPolarHBondContact O-CB 3.3Å; V149-L153 VanDerWaalsContact O-CG 3.24Å; V149-L153 WeakPolarHBondContact O-CG 3.5Å; V149-L153 PolarHBondContact O-N 3.31Å; V149-L165 HydrophobicContact CG1-CD2 4.22Å; V149-L168 HydrophobicContact CG2-CD1 3.71Å; V149-I190 HydrophobicContact CG1-CG2 4.29Å; V149-I190 HydrophobicContact CG2-CG1 3.9Å; V149-I190 HydrophobicContact CG2-CG2 4.46Å; V149-Q193 HydrophobicContact CB-CB 4.08Å; V149-Q193 HydrophobicContact CB-CG 4.14Å; V149-Q193 HydrophobicContact CG1-CB 3.53Å; V149-Q193 HydrophobicContact CG1-CG 4.15Å; V149-F194 HydrophobicContact CG1-CD2 4.17Å; V149-F194 HydrophobicContact CG1-CE2 4.2Å
150	K	87.9	Confident	76.4	Confident	135 Å²	135	64.7 Å²	64.7	59%	0.587	35%	0.349	S	S	*	.	H	α-helix	trans	-60.7	-40.3	175.1	-172.3	178.4	-178.9	-179.4	0	112.4	Q146 E147 Q148 L153 S154	Q146-K150 VanDerWaalsContact O-CB 3.26Å; Q146-K150 WeakPolarHBondContact O-CB 3.45Å; Q146-K150 PolarHBondContact O-N 2.71Å; E147-K150 PolarHBondContact O-N 3.38Å; Q148-K150 VanDerWaalsContact C-N 3.31Å; Q148-K150 PolarHBondContact O-N 3.48Å; K150-L153 PolarHBondContact O-N 3.36Å; K150-S154 WeakPolarHBondContact O-CB 3.29Å; K150-S154 PolarHBondContact O-N 3.37Å; K150-S154 PolarHBondContact O-OG 3.22Å
151	L	86.2	Confident	75.8	Confident	89 Å²	89	64.5 Å²	64.5	47%	0.466	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-45.7	174	-73.6	170.1	0	0	0	111.7	E147 Q148 V149 L153 S154 Q155	E147-L151 WeakPolarHBondContact O-CB 3.11Å; E147-L151 VanDerWaalsContact O-CG 3.26Å; E147-L151 WeakPolarHBondContact O-CG 3.47Å; E147-L151 PolarHBondContact O-N 3.43Å; Q148-L151 WeakPolarHBondContact O-CB 3.26Å; Q148-L151 PolarHBondContact O-N 3.02Å; V149-L151 VanDerWaalsContact C-N 3.33Å; V149-L151 PolarHBondContact O-N 3.37Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 3.49Å; L151-S154 WeakPolarHBondContact CA-OG 3.37Å; L151-S154 PolarHBondContact O-N 3.48Å; L151-S154 PolarHBondContact O-OG 2.92Å; L151-Q155 WeakPolarHBondContact O-CB 3.15Å; L151-Q155 VanDerWaalsContact O-CG 3.27Å; L151-Q155 WeakPolarHBondContact O-CG 3.24Å; L151-Q155 PolarHBondContact O-N 3.22Å
152	F	86.6	Confident	75.7	Confident	27 Å²	27	62.9 Å²	62.9	12%	0.118	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-35.2	178	-61	-30.2	0	0	0	112.6	Q148 V149 S161 Q164 L165 L168	Q148-F152 HydrophobicContact CB-CE2 4.15Å; Q148-F152 HydrophobicContact CB-CZ 4.37Å; Q148-F152 VanDerWaalsContact O-CD2 3.29Å; Q148-F152 WeakPolarHBondContact O-CD2 3.42Å; Q148-F152 VanDerWaalsContact O-CG 3.24Å; Q148-F152 WeakPolarHBondContact O-CG 3.47Å; Q148-F152 PolarHBondContact O-N 3.23Å; V149-F152 PolarHBondContact O-N 2.95Å; F152-S161 VanDerWaalsContact O-CB 3.25Å; F152-S161 WeakPolarHBondContact O-CB 3.42Å; F152-Q164 HydrophobicContact CD1-CB 4.35Å; F152-Q164 HydrophobicContact CD2-CB 4.15Å; F152-Q164 HydrophobicContact CE1-CB 4.18Å; F152-Q164 HydrophobicContact CE1-CG 4.38Å; F152-Q164 HydrophobicContact CE2-CB 3.95Å; F152-Q164 HydrophobicContact CG-CB 4.36Å; F152-Q164 HydrophobicContact CZ-CB 3.98Å; F152-Q164 HydrophobicContact CZ-CG 4.38Å; F152-L165 HydrophobicContact CB-CD1 4.3Å; F152-L165 HydrophobicContact CB-CD2 4.03Å; F152-L165 HydrophobicContact CB-CG 4.03Å; F152-L165 HydrophobicContact CD2-CD2 4.04Å; F152-L165 HydrophobicContact CD2-CG 4.39Å; F152-L168 HydrophobicContact CD2-CD1 4.28Å; F152-L168 HydrophobicContact CE2-CD1 4.18Å
153	L	83.3	Confident	75.6	Confident	10 Å²	10	67 Å²	67	5%	0.052	37%	0.365	C	S	.	.	H	α-helix	trans	-71	-39.1	175.5	-69.8	173.6	0	0	0	112.1	V149 K150 L151 L165 Q193 F194 R199 Y214	V149-L153 HydrophobicContact CG1-CD1 3.86Å; V149-L153 HydrophobicContact CG1-CG 4.27Å; V149-L153 WeakPolarHBondContact O-CB 3.3Å; V149-L153 VanDerWaalsContact O-CG 3.24Å; V149-L153 WeakPolarHBondContact O-CG 3.5Å; V149-L153 PolarHBondContact O-N 3.31Å; K150-L153 PolarHBondContact O-N 3.36Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 3.49Å; L153-L165 HydrophobicContact CD2-CD1 4.19Å; L153-Q193 HydrophobicContact CD1-CB 4.27Å; L153-Q193 WeakPolarHBondContact CD1-O 3.24Å; L153-F194 HydrophobicContact CD1-CD2 4.06Å; L153-F194 HydrophobicContact CD1-CE2 4.46Å; L153-F194 HydrophobicContact CD1-CG 4.36Å; L153-F194 HydrophobicContact CD2-CD1 4.36Å; L153-F194 HydrophobicContact CD2-CD2 4.33Å; L153-F194 HydrophobicContact CD2-CE1 4.13Å; L153-F194 HydrophobicContact CD2-CE2 4.12Å; L153-F194 HydrophobicContact CD2-CG 4.48Å; L153-F194 HydrophobicContact CD2-CZ 4.03Å; L153-R199 PolarHBondContact O-NH1 2.96Å; L153-R199 PolarHBondContact O-NH2 3.29Å; L153-Y214 HydrophobicContact CD2-CE2 3.72Å
154	S	78.8	Confident	75.6	Confident	82 Å²	82	63.7 Å²	63.7	57%	0.573	35%	0.349	S	S	*	.	H	α-helix	trans	-78.1	-28.6	-177.8	59.3	0	0	0	0	114.5	K150 L151 G156	K150-S154 WeakPolarHBondContact O-CB 3.29Å; K150-S154 PolarHBondContact O-N 3.37Å; K150-S154 PolarHBondContact O-OG 3.22Å; L151-S154 WeakPolarHBondContact CA-OG 3.37Å; L151-S154 PolarHBondContact O-N 3.48Å; L151-S154 PolarHBondContact O-OG 2.92Å; S154-G156 PolarHBondContact O-N 2.85Å
155	Q	70.6	Confident	75.9	Confident	107 Å²	107	63.1 Å²	63.1	50%	0.5	35%	0.346	S	S	.	.			trans	-71.6	90.3	175.3	-70.8	176.1	17.3	0	0	110.4	L151 G157	L151-Q155 WeakPolarHBondContact O-CB 3.15Å; L151-Q155 VanDerWaalsContact O-CG 3.27Å; L151-Q155 WeakPolarHBondContact O-CG 3.24Å; L151-Q155 PolarHBondContact O-N 3.22Å; Q155-G157 PolarHBondContact O-N 3.44Å
156	G	54.5	Low	76	Confident	54 Å²	54	66 Å²	66	56%	0.557	36%	0.362	S	S	*	.			trans	-66.3	25.5	-179	0	0	0	0	0	116.9	S154 Y158	S154-G156 PolarHBondContact O-N 2.85Å; G156-Y158 WeakPolarHBondContact O-CD2 3.48Å
157	G	48.3	Very low	76	Confident	51 Å²	51	68 Å²	68	53%	0.526	37%	0.374	S	S	.	.			trans	-103.1	102.8	179.6	0	0	0	0	0	113.1	Q155 H159	Q155-G157 PolarHBondContact O-N 3.44Å; G157-H159 VanDerWaalsContact C-N 3.35Å; G157-H159 PolarHBondContact O-N 3.02Å
158	Y	51.6	Low	76.1	Confident	106 Å²	106	63.5 Å²	63.5	42%	0.416	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	27.7	-157.8	-81.6	-86.9	0	0	0	120	G156 T211 K213	G156-Y158 WeakPolarHBondContact O-CD2 3.48Å; Y158-T211 HydrophobicContact CE1-CG2 4.03Å; Y158-K213 PolarHBondContact O-NZ 2.74Å
159	H	51.1	Low	76.4	Confident	147 Å²	147	61.7 Å²	61.7	68%	0.681	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	-19.1	175.4	-82.5	-83	0	0	0	116.6	G157 K213	G157-H159 VanDerWaalsContact C-N 3.35Å; G157-H159 PolarHBondContact O-N 3.02Å; H159-K213 PolarHBondContact CE1-NZ 3.25Å
160	G	56.8	Low	76.5	Confident	40 Å²	40	64.5 Å²	64.5	41%	0.412	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-49.2	-179.8	0	0	0	0	0	114.4	G162 K163 Q164	G160-G162 PolarHBondContact O-N 3.22Å; G160-K163 PolarHBondContact O-N 3.16Å; G160-Q164 PolarHBondContact O-N 3.27Å
161	S	68.8	Low	76.5	Confident	20 Å²	20	61.5 Å²	61.5	14%	0.14	35%	0.351	C	S	.	.	H	α-helix	trans	-66	-38.6	-169.8	52.4	0	0	0	0	114.1	F152 K163 Q164 L165	F152-S161 VanDerWaalsContact O-CB 3.25Å; F152-S161 WeakPolarHBondContact O-CB 3.42Å; S161-K163 VanDerWaalsContact C-N 3.33Å; S161-K163 PolarHBondContact O-N 3.08Å; S161-Q164 PolarHBondContact O-N 2.91Å; S161-L165 WeakPolarHBondContact O-CG 3.48Å; S161-L165 PolarHBondContact O-N 3.36Å
162	G	78.6	Confident	76.7	Confident	27 Å²	27	57.3 Å²	57.3	28%	0.278	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-37.1	176	0	0	0	0	0	113.4	G160 L165 N166	G160-G162 PolarHBondContact O-N 3.22Å; G162-L165 PolarHBondContact O-N 2.95Å; G162-N166 PolarHBondContact O-N 3.19Å
163	K	82.1	Confident	76.9	Confident	149 Å²	149	58.4 Å²	58.4	65%	0.648	33%	0.333	S	S	*	.	H	α-helix	trans	-66.9	-40	174.8	-67.1	-176	178.2	-176.1	0	111.2	G160 S161 N166 L167	G160-K163 PolarHBondContact O-N 3.16Å; S161-K163 VanDerWaalsContact C-N 3.33Å; S161-K163 PolarHBondContact O-N 3.08Å; K163-N166 PolarHBondContact O-N 3.42Å; K163-L167 WeakPolarHBondContact O-CG 3.4Å; K163-L167 PolarHBondContact O-N 3.28Å
164	Q	85.4	Confident	77.1	Confident	78 Å²	78	62.6 Å²	62.6	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-64.1	-40.6	176.7	-69.6	170.2	-36.9	0	0	111.9	F152 G160 S161 L167 L168	F152-Q164 HydrophobicContact CD1-CB 4.35Å; F152-Q164 HydrophobicContact CD2-CB 4.15Å; F152-Q164 HydrophobicContact CE1-CB 4.18Å; F152-Q164 HydrophobicContact CE1-CG 4.38Å; F152-Q164 HydrophobicContact CE2-CB 3.95Å; F152-Q164 HydrophobicContact CG-CB 4.36Å; F152-Q164 HydrophobicContact CZ-CB 3.98Å; F152-Q164 HydrophobicContact CZ-CG 4.38Å; G160-Q164 PolarHBondContact O-N 3.27Å; S161-Q164 PolarHBondContact O-N 2.91Å; Q164-L167 WeakPolarHBondContact O-CB 3.37Å; Q164-L167 PolarHBondContact O-N 3.08Å; Q164-L168 PolarHBondContact O-N 3.4Å
165	L	87.9	Confident	77.5	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-42.6	174.3	-69.4	168.7	0	0	0	112.1	V149 F152 L153 S161 G162 L167 L168 F169 F194 L217	V149-L165 HydrophobicContact CG1-CD2 4.22Å; F152-L165 HydrophobicContact CB-CD1 4.3Å; F152-L165 HydrophobicContact CB-CD2 4.03Å; F152-L165 HydrophobicContact CB-CG 4.03Å; F152-L165 HydrophobicContact CD2-CD2 4.04Å; F152-L165 HydrophobicContact CD2-CG 4.39Å; L153-L165 HydrophobicContact CD2-CD1 4.19Å; S161-L165 WeakPolarHBondContact O-CG 3.48Å; S161-L165 PolarHBondContact O-N 3.36Å; G162-L165 PolarHBondContact O-N 2.95Å; L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 PolarHBondContact O-N 3.19Å; L165-L168 HydrophobicContact CD2-CD1 4.29Å; L165-L168 WeakPolarHBondContact O-CA 3.28Å; L165-L168 WeakPolarHBondContact O-CB 3.37Å; L165-L168 PolarHBondContact O-N 3.39Å; L165-F169 WeakPolarHBondContact O-CG 3.11Å; L165-F169 PolarHBondContact O-N 3.01Å; L165-F194 HydrophobicContact CD1-CE2 4.46Å; L165-F194 HydrophobicContact CD1-CZ 4.05Å; L165-F194 HydrophobicContact CD2-CE2 4.09Å; L165-F194 HydrophobicContact CD2-CZ 4.41Å; L165-L217 HydrophobicContact CB-CD1 4.48Å; L165-L217 HydrophobicContact CB-CD2 4.03Å; L165-L217 HydrophobicContact CD1-CD1 3.69Å
166	N	89.1	Confident	78.4	Confident	60 Å²	60	54 Å²	54	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-33.2	173.7	-70.4	-11.4	0	0	0	112.7	G162 K163 L168 F169 S170 L217	G162-N166 PolarHBondContact O-N 3.19Å; K163-N166 PolarHBondContact O-N 3.42Å; N166-L168 VanDerWaalsContact C-N 3.35Å; N166-F169 PolarHBondContact O-N 3.49Å; N166-S170 PolarHBondContact O-N 2.85Å; N166-S170 PolarHBondContact O-OG 3.48Å; N166-L217 WeakPolarHBondContact OD1-CD2 3.18Å
167	L	88.1	Confident	80	Confident	105 Å²	105	56.2 Å²	56.2	55%	0.55	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-38.9	171.5	-71.4	168.9	0	0	0	111.2	K163 Q164 L165 S170 K171	K163-L167 WeakPolarHBondContact O-CG 3.4Å; K163-L167 PolarHBondContact O-N 3.28Å; Q164-L167 WeakPolarHBondContact O-CB 3.37Å; Q164-L167 PolarHBondContact O-N 3.08Å; L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 PolarHBondContact O-N 3.19Å; L167-S170 WeakPolarHBondContact O-CB 3.27Å; L167-S170 PolarHBondContact O-N 3.49Å; L167-K171 WeakPolarHBondContact O-CG 3.49Å; L167-K171 PolarHBondContact O-N 3.05Å
168	L	89.4	Confident	81.7	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-41.9	173.5	-62.5	-179	0	0	0	111.9	I44 V149 F152 Q164 L165 N166 S170 K171 V172 M186 I190	I44-L168 HydrophobicContact CD1-CD1 4.42Å; I44-L168 HydrophobicContact CD1-CD2 3.42Å; I44-L168 VanDerWaalsContact CD1-CD2 3.42Å; V149-L168 HydrophobicContact CG2-CD1 3.71Å; F152-L168 HydrophobicContact CD2-CD1 4.28Å; F152-L168 HydrophobicContact CE2-CD1 4.18Å; Q164-L168 PolarHBondContact O-N 3.4Å; L165-L168 HydrophobicContact CD2-CD1 4.29Å; L165-L168 WeakPolarHBondContact O-CA 3.28Å; L165-L168 WeakPolarHBondContact O-CB 3.37Å; L165-L168 PolarHBondContact O-N 3.39Å; N166-L168 VanDerWaalsContact C-N 3.35Å; L168-S170 VanDerWaalsContact C-N 3.32Å; L168-S170 PolarHBondContact O-N 2.89Å; L168-K171 WeakPolarHBondContact O-CB 3.39Å; L168-K171 PolarHBondContact O-N 3.24Å; L168-V172 WeakPolarHBondContact O-CG2 3.45Å; L168-V172 PolarHBondContact O-N 3.22Å; L168-M186 HydrophobicContact CB-CE 4.16Å; L168-M186 HydrophobicContact CD2-CE 3.8Å; L168-M186 HydrophobicContact CG-CE 4.49Å; L168-I190 HydrophobicContact CB-CD1 4.2Å
169	F	92.1	Very high	83.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-41	173.4	-64.6	-25.2	0	0	0	112.5	L165 N166 K171 V172 R173 I190 F194 L217 E220 L221 L225	L165-F169 WeakPolarHBondContact O-CG 3.11Å; L165-F169 PolarHBondContact O-N 3.01Å; N166-F169 PolarHBondContact O-N 3.49Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 2.83Å; F169-V172 WeakPolarHBondContact O-CB 3.43Å; F169-V172 PolarHBondContact O-N 2.95Å; F169-R173 PolarHBondContact O-N 3.38Å; F169-I190 HydrophobicContact CE1-CG2 3.93Å; F169-F194 HydrophobicContact CZ-CE2 4.47Å; F169-F194 HydrophobicContact CZ-CZ 4.2Å; F169-L217 HydrophobicContact CE2-CB 4.26Å; F169-L217 HydrophobicContact CE2-CD2 3.78Å; F169-E220 HydrophobicContact CD2-CB 4.27Å; F169-E220 HydrophobicContact CD2-CG 3.9Å; F169-E220 HydrophobicContact CE2-CB 4.32Å; F169-E220 HydrophobicContact CE2-CG 4.43Å; F169-E220 HydrophobicContact CG-CG 4.43Å; F169-L221 HydrophobicContact CE1-CB 4.2Å; F169-L221 HydrophobicContact CE1-CD1 4.02Å; F169-L221 HydrophobicContact CE1-CG 4.42Å; F169-L221 HydrophobicContact CZ-CB 3.92Å; F169-L221 HydrophobicContact CZ-CD1 4.06Å; F169-L221 HydrophobicContact CZ-CG 4.49Å; F169-L225 HydrophobicContact CB-CD1 3.79Å; F169-L225 HydrophobicContact CD1-CD1 3.48Å; F169-L225 VanDerWaalsContact CD1-CD1 3.48Å; F169-L225 HydrophobicContact CE1-CD1 4.17Å; F169-L225 HydrophobicContact CG-CD1 3.69Å
170	S	89.9	Confident	84.7	Confident	60 Å²	60	53.9 Å²	53.9	42%	0.42	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-41.7	174.2	-57	0	0	0	0	111.5	N166 L167 L168 R173 E174	N166-S170 PolarHBondContact O-N 2.85Å; N166-S170 PolarHBondContact O-OG 3.48Å; L167-S170 WeakPolarHBondContact O-CB 3.27Å; L167-S170 PolarHBondContact O-N 3.49Å; L168-S170 VanDerWaalsContact C-N 3.32Å; L168-S170 PolarHBondContact O-N 2.89Å; S170-R173 PolarHBondContact O-N 3.37Å; S170-E174 PolarHBondContact O-N 3.13Å
171	K	87.5	Confident	85.9	Confident	72 Å²	72	54.5 Å²	54.5	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-63.9	-39.9	175.2	-67.8	-176.7	-168.1	-177	0	112.3	F45 L167 L168 F169 R173 E174 M175	F45-K171 HydrophobicContact CD2-CD 3.92Å; F45-K171 HydrophobicContact CE2-CB 4.4Å; F45-K171 HydrophobicContact CE2-CD 3.31Å; F45-K171 HydrophobicContact CE2-CG 4.38Å; F45-K171 HydrophobicContact CZ-CD 4.2Å; L167-K171 WeakPolarHBondContact O-CG 3.49Å; L167-K171 PolarHBondContact O-N 3.05Å; L168-K171 WeakPolarHBondContact O-CB 3.39Å; L168-K171 PolarHBondContact O-N 3.24Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 2.83Å; K171-R173 VanDerWaalsContact C-N 3.33Å; K171-R173 PolarHBondContact O-N 3.24Å; K171-E174 PolarHBondContact O-N 3.06Å; K171-M175 WeakPolarHBondContact O-CG 3.33Å; K171-M175 PolarHBondContact O-N 2.93Å
172	V	91.3	Very high	86.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-47	172	169.7	0	0	0	0	110.3	L168 F169 E174 M175 L176 M186 L187 I190 L225	L168-V172 WeakPolarHBondContact O-CG2 3.45Å; L168-V172 PolarHBondContact O-N 3.22Å; F169-V172 WeakPolarHBondContact O-CB 3.43Å; F169-V172 PolarHBondContact O-N 2.95Å; V172-E174 PolarHBondContact O-N 3.48Å; V172-M175 WeakPolarHBondContact O-CB 3.42Å; V172-M175 PolarHBondContact O-N 3.36Å; V172-L176 HydrophobicContact CG1-CD1 4.12Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.49Å; V172-L176 PolarHBondContact O-N 3.1Å; V172-M186 HydrophobicContact CG2-CB 4.21Å; V172-M186 HydrophobicContact CG2-CE 4.45Å; V172-M186 HydrophobicContact CG2-CG 3.91Å; V172-M186 HydrophobicContact CG2-SD 3.79Å; V172-L187 HydrophobicContact CG1-CB 4.28Å; V172-I190 HydrophobicContact CG2-CD1 4.08Å; V172-L225 HydrophobicContact CG1-CD2 4.49Å
173	R	90.3	Very high	87.2	Confident	51 Å²	51	52.6 Å²	52.6	19%	0.192	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-40.3	177.5	-69.1	-171.9	-177.4	-96.2	4.7	112.8	F169 S170 K171 L176 K177 L225 D352 S356	F169-R173 PolarHBondContact O-N 3.38Å; S170-R173 PolarHBondContact O-N 3.37Å; K171-R173 VanDerWaalsContact C-N 3.33Å; K171-R173 PolarHBondContact O-N 3.24Å; R173-L176 PolarHBondContact O-N 3.23Å; R173-K177 WeakPolarHBondContact O-CB 3.39Å; R173-K177 PolarHBondContact O-N 3.5Å; R173-L225 HydrophobicContact CG-CD2 3.56Å; R173-D352 IonicContact CZ-OD2 3.22Å; R173-D352 IonicContact NH1-OD1 2.69Å; R173-D352 IonicContact NH1-OD2 3.55Å; R173-D352 PolarHBondContact NH1-OD2 2.97Å; R173-D352 VanDerWaalsContact NH1-OD2 3.07Å; R173-D352 IonicContact NH2-OD2 3.58Å; R173-S356 PolarHBondContact NH1-OG 2.74Å; R173-S356 VanDerWaalsContact NH1-OG 3.11Å
174	E	88	Confident	87.6	Confident	97 Å²	97	46 Å²	46	45%	0.453	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-38.6	175.4	-71.9	-59.2	134.2	0	0	112.4	S170 K171 V172 K177 M178	S170-E174 PolarHBondContact O-N 3.13Å; K171-E174 PolarHBondContact O-N 3.06Å; V172-E174 PolarHBondContact O-N 3.48Å; E174-K177 WeakPolarHBondContact O-CB 3.21Å; E174-K177 PolarHBondContact O-N 3.26Å; E174-K177 IonicContact OE1-NZ 2.74Å; E174-K177 IonicContact OE2-NZ 3.1Å; E174-M178 WeakPolarHBondContact O-CG 3.43Å; E174-M178 PolarHBondContact O-N 3.4Å
175	M	86.9	Confident	87.8	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-44.1	172.5	-72.7	-176.8	128.8	0	0	112	F45 W138 K171 V172 K177 M178 R179 D180 N182 M186	F45-M175 HydrophobicContact CE1-CE 3.64Å; F45-M175 HydrophobicContact CE1-SD 4.4Å; F45-M175 HydrophobicContact CZ-CE 4.21Å; F45-M175 HydrophobicContact CZ-SD 4.4Å; W138-M175 HydrophobicContact CB-CE 4.18Å; W138-M175 HydrophobicContact CE3-CE 3.86Å; W138-M175 HydrophobicContact CE3-CG 3.78Å; W138-M175 HydrophobicContact CZ3-CG 3.79Å; K171-M175 WeakPolarHBondContact O-CG 3.33Å; K171-M175 PolarHBondContact O-N 2.93Å; V172-M175 WeakPolarHBondContact O-CB 3.42Å; V172-M175 PolarHBondContact O-N 3.36Å; M175-K177 VanDerWaalsContact C-N 3.31Å; M175-K177 PolarHBondContact O-N 3.01Å; M175-M178 CarbonylContact O-C 3.55Å; M175-M178 PolarHBondContact O-N 3.2Å; M175-R179 PolarHBondContact O-N 2.67Å; M175-R179 VanDerWaalsContact O-N 3.16Å; M175-D180 HydrophobicContact CB-CB 4.37Å; M175-D180 WeakPolarHBondContact O-CB 3.33Å; M175-D180 PolarHBondContact O-N 2.87Å; M175-N182 HydrophobicContact CE-CB 3.57Å; M175-N182 HydrophobicContact SD-CB 4.04Å; M175-M186 HydrophobicContact SD-SD 4.05Å
176	L	89.3	Confident	87.9	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-39.5	175.9	-64.6	175.7	0	0	0	111.4	V172 R173 M178 R179 I229 S356	V172-L176 HydrophobicContact CG1-CD1 4.12Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.49Å; V172-L176 PolarHBondContact O-N 3.1Å; R173-L176 PolarHBondContact O-N 3.23Å; L176-M178 VanDerWaalsContact C-N 3.29Å; L176-M178 PolarHBondContact O-N 3.4Å; L176-R179 WeakPolarHBondContact O-CA 3.3Å; L176-R179 PolarHBondContact O-N 3.17Å; L176-I229 HydrophobicContact CD1-CG1 3.94Å; L176-I229 HydrophobicContact CD2-CG1 3.97Å; L176-S356 CarbonylContact C-O 3.53Å; L176-S356 WeakPolarHBondContact CB-O 3.45Å
177	K	87.4	Confident	88.1	Confident	101 Å²	101	45.3 Å²	45.3	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-36.5	178.3	-176.2	-178.5	175.9	-173.6	0	112.1	R173 E174 M175 R179 S356	R173-K177 WeakPolarHBondContact O-CB 3.39Å; R173-K177 PolarHBondContact O-N 3.5Å; E174-K177 WeakPolarHBondContact O-CB 3.21Å; E174-K177 PolarHBondContact O-N 3.26Å; E174-K177 IonicContact OE1-NZ 2.74Å; E174-K177 IonicContact OE2-NZ 3.1Å; M175-K177 VanDerWaalsContact C-N 3.31Å; M175-K177 PolarHBondContact O-N 3.01Å; K177-R179 PolarHBondContact O-N 2.96Å; K177-S356 WeakPolarHBondContact CA-O 3.42Å; K177-S356 PolarHBondContact N-O 3.1Å
178	M	83.9	Confident	88.4	Confident	105 Å²	105	41.1 Å²	41.1	52%	0.517	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	6.5	173.1	-61.5	-55.6	-68.5	0	0	113.4	W138 E174 M175 L176 D180	W138-M178 HydrophobicContact CH2-CB 4.01Å; W138-M178 HydrophobicContact CH2-CG 3.64Å; W138-M178 HydrophobicContact CZ2-CB 4.17Å; W138-M178 HydrophobicContact CZ2-CG 3.95Å; E174-M178 WeakPolarHBondContact O-CG 3.43Å; E174-M178 PolarHBondContact O-N 3.4Å; M175-M178 CarbonylContact O-C 3.55Å; M175-M178 PolarHBondContact O-N 3.2Å; L176-M178 VanDerWaalsContact C-N 3.29Å; L176-M178 PolarHBondContact O-N 3.4Å; M178-D180 PolarHBondContact O-N 3Å
179	R	83.2	Confident	88.5	Confident	144 Å²	144	41.4 Å²	41.4	54%	0.543	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	33.9	178.7	-52.8	177.7	-170.6	167.7	7	113	M175 L176 K177 H357 Y359	M175-R179 PolarHBondContact O-N 2.67Å; M175-R179 VanDerWaalsContact O-N 3.16Å; L176-R179 WeakPolarHBondContact O-CA 3.3Å; L176-R179 PolarHBondContact O-N 3.17Å; K177-R179 PolarHBondContact O-N 2.96Å; R179-H357 PolarHBondContact NE-O 3.3Å; R179-Y359 PolarHBondContact NE-OH 3.41Å; R179-Y359 PolarHBondContact NH1-OH 3.08Å; R179-Y359 VanDerWaalsContact NH1-OH 3.14Å; R179-Y359 PolarHBondContact NH2-OH 3.09Å
180	D	83.3	Confident	88.6	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.032	19%	0.194	C	C	.	.			trans	-83.5	131.1	178	-156.1	-76.7	0	0	0	110.5	K31 C137 W138 M175 M178 N182 G183	K31-D180 IonicContact NZ-OD2 3.77Å; K31-D180 PolarHBondContact NZ-OD2 3.49Å; C137-D180 WeakPolarHBondContact CA-OD2 3.27Å; W138-D180 PolarHBondContact N-OD2 3.27Å; M175-D180 HydrophobicContact CB-CB 4.37Å; M175-D180 WeakPolarHBondContact O-CB 3.33Å; M175-D180 PolarHBondContact O-N 2.87Å; M178-D180 PolarHBondContact O-N 3Å; D180-N182 PolarHBondContact O-N 3.42Å; D180-N182 WeakPolarHBondContact OD1-CB 3.49Å; D180-N182 PolarHBondContact OD1-N 3.05Å; D180-N182 VanDerWaalsContact OD1-N 3.08Å; D180-N182 PolarHBondContact OD1-ND2 2.93Å; D180-G183 PolarHBondContact O-N 2.91Å; D180-G183 VanDerWaalsContact O-N 3.14Å
181	S	81.3	Confident	88.8	Confident	53 Å²	53	38.5 Å²	38.5	37%	0.371	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.2	-178.9	64.8	0	0	0	0	112.3	C137 G183 A184 R185	C137-S181 PolarHBondContact SG-OG 3.27Å; S181-G183 PolarHBondContact O-N 2.75Å; S181-A184 PolarHBondContact O-N 3.2Å; S181-R185 PolarHBondContact O-N 3.35Å
182	N	86.3	Confident	89	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-20.8	174.2	-72.5	-43.7	0	0	0	114.1	C137 W138 L140 M175 D180 A184 R185 M186	C137-N182 WeakPolarHBondContact CB-ND2 3.14Å; W138-N182 PolarHBondContact O-ND2 3.34Å; L140-N182 HydrophobicContact CD2-CB 4.16Å; M175-N182 HydrophobicContact CE-CB 3.57Å; M175-N182 HydrophobicContact SD-CB 4.04Å; D180-N182 PolarHBondContact O-N 3.42Å; D180-N182 WeakPolarHBondContact OD1-CB 3.49Å; D180-N182 PolarHBondContact OD1-N 3.05Å; D180-N182 VanDerWaalsContact OD1-N 3.08Å; D180-N182 PolarHBondContact OD1-ND2 2.93Å; N182-A184 VanDerWaalsContact C-N 3.33Å; N182-A184 PolarHBondContact O-N 3.14Å; N182-R185 PolarHBondContact O-N 2.94Å; N182-M186 VanDerWaalsContact O-CB 3.24Å; N182-M186 WeakPolarHBondContact O-CB 3.35Å; N182-M186 PolarHBondContact O-N 3.43Å
183	G	88.6	Confident	89.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-47.1	177.4	0	0	0	0	0	111.7	D180 S181 L187	D180-G183 PolarHBondContact O-N 2.91Å; D180-G183 VanDerWaalsContact O-N 3.14Å; S181-G183 PolarHBondContact O-N 2.75Å; G183-L187 PolarHBondContact O-N 3.42Å
184	A	89.9	Confident	89.1	Confident	10 Å²	10	37.8 Å²	37.8	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-71	-35.3	176.5	0	0	0	0	0	112.7	S181 N182 L187 T188 I229 W243	S181-A184 PolarHBondContact O-N 3.2Å; N182-A184 VanDerWaalsContact C-N 3.33Å; N182-A184 PolarHBondContact O-N 3.14Å; A184-L187 PolarHBondContact O-N 2.95Å; A184-T188 PolarHBondContact O-N 3.21Å; A184-T188 PolarHBondContact O-OG1 3Å; A184-I229 HydrophobicContact CB-CD1 4.11Å; A184-I229 HydrophobicContact CB-CG1 4.38Å; A184-I229 HydrophobicContact CB-CG2 3.95Å; A184-W243 HydrophobicContact CB-CZ2 3.85Å
185	R	89.3	Confident	89.2	Confident	127 Å²	127	34.2 Å²	34.2	48%	0.479	16%	0.158	S	C	.	.	H	α-helix	trans	-65	-49.5	177.5	-166.2	173.1	178.2	-178.5	-6.3	111.5	E142 S181 N182 L187 T188 L189	E142-R185 IonicContact OE1-CZ 3.38Å; E142-R185 IonicContact OE1-NE 3.09Å; E142-R185 PolarHBondContact OE1-NE 3.13Å; E142-R185 IonicContact OE1-NH2 3.16Å; E142-R185 PolarHBondContact OE1-NH2 3.14Å; E142-R185 IonicContact OE2-CZ 3.74Å; E142-R185 IonicContact OE2-NE 2.88Å; E142-R185 IonicContact OE2-NH2 3.39Å; E142-R185 PolarHBondContact OE2-NH2 3.47Å; S181-R185 PolarHBondContact O-N 3.35Å; N182-R185 PolarHBondContact O-N 2.94Å; R185-L187 VanDerWaalsContact C-N 3.33Å; R185-L187 PolarHBondContact O-N 2.93Å; R185-T188 VanDerWaalsContact O-CB 3.28Å; R185-T188 WeakPolarHBondContact O-CB 3.45Å; R185-T188 PolarHBondContact O-N 3.38Å; R185-T188 VanDerWaalsContact O-N 3.11Å; R185-L189 WeakPolarHBondContact O-CG 3.24Å; R185-L189 PolarHBondContact O-N 3.15Å; R185-L189 VanDerWaalsContact O-N 3.08Å
186	M	91.3	Very high	89.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-42.4	176	-175	179.1	-179.7	0	0	111.5	I44 F45 L140 V145 L168 V172 M175 N182 T188 L189 I190	I44-M186 HydrophobicContact CG2-CE 4.45Å; F45-M186 HydrophobicContact CE2-CE 4.41Å; F45-M186 HydrophobicContact CZ-CE 4.29Å; F45-M186 HydrophobicContact CZ-SD 4.07Å; L140-M186 HydrophobicContact CD1-CB 4.47Å; L140-M186 HydrophobicContact CD1-CG 4.43Å; L140-M186 HydrophobicContact CD1-SD 4.37Å; L140-M186 HydrophobicContact CD2-CB 4.16Å; V145-M186 HydrophobicContact CG1-CG 4.42Å; L168-M186 HydrophobicContact CB-CE 4.16Å; L168-M186 HydrophobicContact CD2-CE 3.8Å; L168-M186 HydrophobicContact CG-CE 4.49Å; V172-M186 HydrophobicContact CG2-CB 4.21Å; V172-M186 HydrophobicContact CG2-CE 4.45Å; V172-M186 HydrophobicContact CG2-CG 3.91Å; V172-M186 HydrophobicContact CG2-SD 3.79Å; M175-M186 HydrophobicContact SD-SD 4.05Å; N182-M186 VanDerWaalsContact O-CB 3.24Å; N182-M186 WeakPolarHBondContact O-CB 3.35Å; N182-M186 PolarHBondContact O-N 3.43Å; M186-T188 VanDerWaalsContact C-N 3.32Å; M186-T188 PolarHBondContact O-N 2.91Å; M186-L189 PolarHBondContact O-N 3.03Å; M186-I190 HydrophobicContact CE-CD1 4.29Å; M186-I190 HydrophobicContact CG-CD1 4.05Å; M186-I190 VanDerWaalsContact O-CG1 3.29Å; M186-I190 WeakPolarHBondContact O-CG1 3.44Å; M186-I190 PolarHBondContact O-N 3.35Å
187	L	93.8	Very high	89.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-35.9	176.3	-168.5	67.2	0	0	0	112.5	V172 G183 A184 R185 I190 T191 L221 L225 W226 I229	V172-L187 HydrophobicContact CG1-CB 4.28Å; G183-L187 PolarHBondContact O-N 3.42Å; A184-L187 PolarHBondContact O-N 2.95Å; R185-L187 VanDerWaalsContact C-N 3.33Å; R185-L187 PolarHBondContact O-N 2.93Å; L187-I190 PolarHBondContact O-N 3.4Å; L187-T191 VanDerWaalsContact O-CB 3.3Å; L187-T191 WeakPolarHBondContact O-CB 3.46Å; L187-T191 PolarHBondContact O-N 3.01Å; L187-T191 PolarHBondContact O-OG1 2.93Å; L187-L221 HydrophobicContact CD1-CG 4.33Å; L187-L225 HydrophobicContact CD1-CB 4.12Å; L187-L225 HydrophobicContact CD1-CD1 3.71Å; L187-L225 HydrophobicContact CD2-CB 3.63Å; L187-W226 HydrophobicContact CB-CZ2 4.49Å; L187-W226 HydrophobicContact CD2-CD2 3.73Å; L187-W226 HydrophobicContact CD2-CE3 4.37Å; L187-W226 HydrophobicContact CD2-CG 3.83Å; L187-W226 HydrophobicContact CD2-CZ2 4.15Å; L187-W226 HydrophobicContact CG-CZ2 4.13Å; L187-I229 HydrophobicContact CB-CD1 4Å; L187-I229 HydrophobicContact CD2-CD1 3.3Å; L187-I229 HydrophobicContact CG-CD1 4.27Å
188	T	93	Very high	89.1	Confident	17 Å²	17	37.7 Å²	37.7	10%	0.104	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-50.5	173	-56.2	0	0	0	0	110.5	A184 R185 M186 I190 T191 E192 W250	A184-T188 PolarHBondContact O-N 3.21Å; A184-T188 PolarHBondContact O-OG1 3Å; R185-T188 VanDerWaalsContact O-CB 3.28Å; R185-T188 WeakPolarHBondContact O-CB 3.45Å; R185-T188 PolarHBondContact O-N 3.38Å; R185-T188 VanDerWaalsContact O-N 3.11Å; M186-T188 VanDerWaalsContact C-N 3.32Å; M186-T188 PolarHBondContact O-N 2.91Å; T188-I190 PolarHBondContact O-N 3.01Å; T188-T191 PolarHBondContact O-N 3.05Å; T188-E192 WeakPolarHBondContact O-CG 3.46Å; T188-E192 PolarHBondContact O-N 3.46Å; T188-W250 HydrophobicContact CG2-CH2 4.06Å; T188-W250 HydrophobicContact CG2-CZ2 4.15Å
189	L	92.5	Very high	89.2	Confident	10 Å²	10	35.2 Å²	35.2	5%	0.052	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-44.3	179.2	-61.8	172.3	0	0	0	112.1	L140 E142 V145 Q146 R185 M186 E192 Q193	L140-L189 HydrophobicContact CD2-CD1 4.5Å; E142-L189 HydrophobicContact CB-CD1 3.8Å; E142-L189 HydrophobicContact CB-CD2 4.48Å; E142-L189 HydrophobicContact CG-CD1 3.87Å; V145-L189 HydrophobicContact CB-CD1 4.3Å; V145-L189 HydrophobicContact CG1-CB 4.04Å; V145-L189 HydrophobicContact CG1-CD1 4.24Å; Q146-L189 HydrophobicContact CG-CB 4.31Å; Q146-L189 HydrophobicContact CG-CD2 4.08Å; Q146-L189 VanDerWaalsContact NE2-CD2 3.34Å; R185-L189 WeakPolarHBondContact O-CG 3.24Å; R185-L189 PolarHBondContact O-N 3.15Å; R185-L189 VanDerWaalsContact O-N 3.08Å; M186-L189 PolarHBondContact O-N 3.03Å; L189-E192 PolarHBondContact O-N 3.2Å; L189-Q193 WeakPolarHBondContact O-CG 3.18Å; L189-Q193 PolarHBondContact O-N 3.49Å
190	I	92.9	Very high	89.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-46.8	176.4	-63.2	162.9	0	0	0	109.9	V145 V149 L168 F169 V172 M186 L187 T188 E192 Q193 F194 L221	V145-I190 HydrophobicContact CG1-CG1 4.36Å; V149-I190 HydrophobicContact CG1-CG2 4.29Å; V149-I190 HydrophobicContact CG2-CG1 3.9Å; V149-I190 HydrophobicContact CG2-CG2 4.46Å; L168-I190 HydrophobicContact CB-CD1 4.2Å; F169-I190 HydrophobicContact CE1-CG2 3.93Å; V172-I190 HydrophobicContact CG2-CD1 4.08Å; M186-I190 HydrophobicContact CE-CD1 4.29Å; M186-I190 HydrophobicContact CG-CD1 4.05Å; M186-I190 VanDerWaalsContact O-CG1 3.29Å; M186-I190 WeakPolarHBondContact O-CG1 3.44Å; M186-I190 PolarHBondContact O-N 3.35Å; L187-I190 PolarHBondContact O-N 3.4Å; T188-I190 PolarHBondContact O-N 3.01Å; I190-E192 VanDerWaalsContact C-N 3.33Å; I190-E192 PolarHBondContact O-N 3.3Å; I190-Q193 PolarHBondContact O-N 3.29Å; I190-F194 HydrophobicContact CG2-CD2 3.72Å; I190-F194 HydrophobicContact CG2-CE2 3.65Å; I190-F194 VanDerWaalsContact O-CD2 3.31Å; I190-F194 WeakPolarHBondContact O-CD2 3.19Å; I190-F194 PolarHBondContact O-N 2.88Å; I190-L221 HydrophobicContact CG2-CD1 3.93Å
191	T	93.8	Very high	89.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-40.8	-178.5	-56.4	0	0	0	0	111.8	L187 T188 F194 M195 L221 W226 W250 F293	L187-T191 VanDerWaalsContact O-CB 3.3Å; L187-T191 WeakPolarHBondContact O-CB 3.46Å; L187-T191 PolarHBondContact O-N 3.01Å; L187-T191 PolarHBondContact O-OG1 2.93Å; T188-T191 PolarHBondContact O-N 3.05Å; T191-F194 PolarHBondContact O-N 2.91Å; T191-M195 HydrophobicContact CG2-CG 4.43Å; T191-M195 WeakPolarHBondContact O-CG 3.45Å; T191-M195 PolarHBondContact O-N 3.18Å; T191-L221 HydrophobicContact CG2-CD2 3.99Å; T191-W226 PolarHBondContact OG1-NE1 3.42Å; T191-W250 HydrophobicContact CG2-CD2 3.92Å; T191-W250 HydrophobicContact CG2-CE3 3.63Å; T191-W250 HydrophobicContact CG2-CH2 3.77Å; T191-W250 HydrophobicContact CG2-CZ2 4.02Å; T191-W250 HydrophobicContact CG2-CZ3 3.57Å; T191-F293 HydrophobicContact CG2-CE1 4.08Å; T191-F293 HydrophobicContact CG2-CZ 3.61Å
192	E	93.3	Very high	89.4	Confident	74 Å²	74	31.5 Å²	31.5	35%	0.346	17%	0.173	S	C	.	.	H	α-helix	trans	-62.1	-42.7	176	-73	179.2	163.8	0	0	112.1	T188 L189 I190 M195 A196 W250	T188-E192 WeakPolarHBondContact O-CG 3.46Å; T188-E192 PolarHBondContact O-N 3.46Å; L189-E192 PolarHBondContact O-N 3.2Å; I190-E192 VanDerWaalsContact C-N 3.33Å; I190-E192 PolarHBondContact O-N 3.3Å; E192-M195 PolarHBondContact O-N 3.43Å; E192-A196 WeakPolarHBondContact O-CB 3.37Å; E192-A196 PolarHBondContact O-N 3.13Å; E192-W250 HydrophobicContact CG-CZ2 3.94Å
193	Q	91.8	Very high	89.2	Confident	33 Å²	33	32.7 Å²	32.7	15%	0.154	18%	0.177	C	C	.	.	H	α-helix	trans	-66.8	-36.7	176.4	-64.6	-52.2	-52.1	0	0	112.5	Q146 V149 L153 L189 I190 A196 D197	Q146-Q193 HydrophobicContact CB-CG 4.24Å; Q146-Q193 HydrophobicContact CG-CG 4.36Å; V149-Q193 HydrophobicContact CB-CB 4.08Å; V149-Q193 HydrophobicContact CB-CG 4.14Å; V149-Q193 HydrophobicContact CG1-CB 3.53Å; V149-Q193 HydrophobicContact CG1-CG 4.15Å; L153-Q193 HydrophobicContact CD1-CB 4.27Å; L153-Q193 WeakPolarHBondContact CD1-O 3.24Å; L189-Q193 WeakPolarHBondContact O-CG 3.18Å; L189-Q193 PolarHBondContact O-N 3.49Å; I190-Q193 PolarHBondContact O-N 3.29Å; Q193-A196 PolarHBondContact O-N 3.46Å; Q193-D197 PolarHBondContact O-N 2.82Å
194	F	91.4	Very high	88.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-43.8	173.2	-93.3	-106	0	0	0	111.8	V149 L153 L165 F169 I190 T191 A196 D197 L200 Y214 L217 W218 L221	V149-F194 HydrophobicContact CG1-CD2 4.17Å; V149-F194 HydrophobicContact CG1-CE2 4.2Å; L153-F194 HydrophobicContact CD1-CD2 4.06Å; L153-F194 HydrophobicContact CD1-CE2 4.46Å; L153-F194 HydrophobicContact CD1-CG 4.36Å; L153-F194 HydrophobicContact CD2-CD1 4.36Å; L153-F194 HydrophobicContact CD2-CD2 4.33Å; L153-F194 HydrophobicContact CD2-CE1 4.13Å; L153-F194 HydrophobicContact CD2-CE2 4.12Å; L153-F194 HydrophobicContact CD2-CG 4.48Å; L153-F194 HydrophobicContact CD2-CZ 4.03Å; L165-F194 HydrophobicContact CD1-CE2 4.46Å; L165-F194 HydrophobicContact CD1-CZ 4.05Å; L165-F194 HydrophobicContact CD2-CE2 4.09Å; L165-F194 HydrophobicContact CD2-CZ 4.41Å; F169-F194 HydrophobicContact CZ-CE2 4.47Å; F169-F194 HydrophobicContact CZ-CZ 4.2Å; I190-F194 HydrophobicContact CG2-CD2 3.72Å; I190-F194 HydrophobicContact CG2-CE2 3.65Å; I190-F194 VanDerWaalsContact O-CD2 3.31Å; I190-F194 WeakPolarHBondContact O-CD2 3.19Å; I190-F194 PolarHBondContact O-N 2.88Å; T191-F194 PolarHBondContact O-N 2.91Å; F194-A196 VanDerWaalsContact C-N 3.27Å; F194-A196 PolarHBondContact O-N 3.48Å; F194-D197 WeakPolarHBondContact O-CB 3.48Å; F194-D197 PolarHBondContact O-N 2.88Å; F194-L200 VanDerWaalsContact O-CD1 3.24Å; F194-L200 WeakPolarHBondContact O-CD1 3.36Å; F194-Y214 HydrophobicContact CD1-CE2 4.21Å; F194-Y214 AromaticContact CE1-CE2 3.97Å; F194-Y214 HydrophobicContact CE1-CE2 3.97Å; F194-L217 HydrophobicContact CE1-CB 3.87Å; F194-L217 HydrophobicContact CE1-CD1 4.28Å; F194-L217 HydrophobicContact CZ-CB 4.07Å; F194-L217 HydrophobicContact CZ-CD1 4.15Å; F194-W218 HydrophobicContact CB-CH2 3.74Å; F194-W218 HydrophobicContact CB-CZ2 3.64Å; F194-W218 HydrophobicContact CD1-CD2 4.3Å; F194-W218 AromaticContact CD1-CE2 3.73Å; F194-W218 HydrophobicContact CD1-CH2 4.48Å; F194-W218 AromaticContact CD1-CZ2 3.85Å; F194-W218 HydrophobicContact CD1-CZ2 3.85Å; F194-W218 AromaticContact CD1-NE1 3.81Å; F194-W218 HydrophobicContact CG-CZ2 4.25Å; F194-L221 HydrophobicContact CB-CD1 4.44Å; F194-L221 HydrophobicContact CD1-CD1 4.36Å; F194-L221 HydrophobicContact CD2-CD1 3.97Å; F194-L221 HydrophobicContact CE2-CD1 4.21Å; F194-L221 HydrophobicContact CG-CD1 4.02Å
195	M	90.3	Very high	88.2	Confident	23 Å²	23	45 Å²	45	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-26	176.6	-71	-63.9	-67	0	0	113	T191 E192 D197 W218 W250 V253 C256 F293	T191-M195 HydrophobicContact CG2-CG 4.43Å; T191-M195 WeakPolarHBondContact O-CG 3.45Å; T191-M195 PolarHBondContact O-N 3.18Å; E192-M195 PolarHBondContact O-N 3.43Å; M195-D197 VanDerWaalsContact C-N 3.33Å; M195-W218 HydrophobicContact CG-CH2 4.11Å; M195-W218 HydrophobicContact SD-CH2 3.62Å; M195-W218 HydrophobicContact SD-CZ3 4.3Å; M195-W250 HydrophobicContact CE-CB 4.15Å; M195-W250 HydrophobicContact CG-CG 4.32Å; M195-V253 HydrophobicContact CE-CB 3.7Å; M195-V253 HydrophobicContact CE-CG1 3.9Å; M195-V253 HydrophobicContact CE-CG2 4.07Å; M195-C256 HydrophobicContact CE-CB 4.16Å; M195-F293 HydrophobicContact SD-CE2 4.15Å
196	A	89.6	Confident	87.6	Confident	71 Å²	71	45.2 Å²	45.2	59%	0.587	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-1	176.8	0	0	0	0	0	114	E192 Q193 F194 P198	E192-A196 WeakPolarHBondContact O-CB 3.37Å; E192-A196 PolarHBondContact O-N 3.13Å; Q193-A196 PolarHBondContact O-N 3.46Å; F194-A196 VanDerWaalsContact C-N 3.27Å; F194-A196 PolarHBondContact O-N 3.48Å; A196-P198 WeakPolarHBondContact O-CD 3.32Å
197	D	88.3	Confident	86.6	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.07	26%	0.259	C	S	.	.			trans	-67.2	118.1	-179.5	-172.1	-23.6	0	0	0	111	Q193 F194 M195 R199 L200 Y214	Q193-D197 PolarHBondContact O-N 2.82Å; F194-D197 WeakPolarHBondContact O-CB 3.48Å; F194-D197 PolarHBondContact O-N 2.88Å; M195-D197 VanDerWaalsContact C-N 3.33Å; D197-R199 PolarHBondContact O-N 3.11Å; D197-R199 VanDerWaalsContact O-N 3.08Å; D197-R199 VanDerWaalsContact OD1-CB 3.27Å; D197-R199 WeakPolarHBondContact OD1-CB 3.48Å; D197-R199 WeakPolarHBondContact OD1-CG 3.15Å; D197-R199 PolarHBondContact OD1-N 3.26Å; D197-R199 IonicContact OD1-NE 3.99Å; D197-R199 PolarHBondContact OD1-NE 2.93Å; D197-R199 VanDerWaalsContact OD1-NE 3.14Å; D197-R199 IonicContact OD2-CZ 3.36Å; D197-R199 VanDerWaalsContact OD2-CZ 3.28Å; D197-R199 IonicContact OD2-NE 2.87Å; D197-R199 PolarHBondContact OD2-NE 3.47Å; D197-R199 IonicContact OD2-NH2 3.74Å; D197-R199 PolarHBondContact OD2-NH2 3.37Å; D197-L200 HydrophobicContact CB-CG 4.38Å; D197-L200 PolarHBondContact O-N 3.48Å; D197-L200 VanDerWaalsContact O-N 3.15Å; D197-Y214 PolarHBondContact OD2-OH 3.19Å
198	P	84.3	Confident	85.6	Confident	98 Å²	98	50.2 Å²	50.2	64%	0.636	28%	0.275	S	S	*	.	H	α-helix	trans	-62.8	-20.3	-177.6	26.4	-35.4	0	0	0	113.2	A196 L200 A201 L202	A196-P198 WeakPolarHBondContact O-CD 3.32Å; P198-L200 VanDerWaalsContact C-N 3.28Å; P198-L200 PolarHBondContact O-N 3.21Å; P198-A201 PolarHBondContact O-N 3.47Å; P198-L202 PolarHBondContact O-N 3.45Å
199	R	85.1	Confident	84.5	Confident	54 Å²	54	54.4 Å²	54.4	20%	0.204	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-28	178.2	-63.6	178.6	-65	-172	-1.8	113	L153 D197 A201 L202 W203	L153-R199 PolarHBondContact O-NH1 2.96Å; L153-R199 PolarHBondContact O-NH2 3.29Å; D197-R199 PolarHBondContact O-N 3.11Å; D197-R199 VanDerWaalsContact O-N 3.08Å; D197-R199 VanDerWaalsContact OD1-CB 3.27Å; D197-R199 WeakPolarHBondContact OD1-CB 3.48Å; D197-R199 WeakPolarHBondContact OD1-CG 3.15Å; D197-R199 PolarHBondContact OD1-N 3.26Å; D197-R199 IonicContact OD1-NE 3.99Å; D197-R199 PolarHBondContact OD1-NE 2.93Å; D197-R199 VanDerWaalsContact OD1-NE 3.14Å; D197-R199 IonicContact OD2-CZ 3.36Å; D197-R199 VanDerWaalsContact OD2-CZ 3.28Å; D197-R199 IonicContact OD2-NE 2.87Å; D197-R199 PolarHBondContact OD2-NE 3.47Å; D197-R199 IonicContact OD2-NH2 3.74Å; D197-R199 PolarHBondContact OD2-NH2 3.37Å; R199-A201 VanDerWaalsContact C-N 3.3Å; R199-A201 PolarHBondContact O-N 3.41Å; R199-L202 PolarHBondContact O-N 3.29Å; R199-W203 HydrophobicContact CB-CD2 4.32Å; R199-W203 HydrophobicContact CB-CE3 4.05Å; R199-W203 HydrophobicContact CB-CH2 3.95Å; R199-W203 HydrophobicContact CB-CZ2 4.22Å; R199-W203 HydrophobicContact CB-CZ3 3.84Å; R199-W203 PolarHBondContact O-N 2.89Å
200	L	85.4	Confident	83.9	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-42.2	176.1	-66.9	177.1	0	0	0	111.5	F194 D197 P198 W203 R204 M210 Y214 W218 V255 P257	F194-L200 VanDerWaalsContact O-CD1 3.24Å; F194-L200 WeakPolarHBondContact O-CD1 3.36Å; D197-L200 HydrophobicContact CB-CG 4.38Å; D197-L200 PolarHBondContact O-N 3.48Å; D197-L200 VanDerWaalsContact O-N 3.15Å; P198-L200 VanDerWaalsContact C-N 3.28Å; P198-L200 PolarHBondContact O-N 3.21Å; L200-W203 HydrophobicContact CD2-CE3 4.1Å; L200-W203 HydrophobicContact CD2-CZ3 4.1Å; L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.44Å; L200-R204 VanDerWaalsContact O-N 3.15Å; L200-M210 HydrophobicContact CD2-SD 4.27Å; L200-Y214 HydrophobicContact CD2-CE1 4.02Å; L200-W218 HydrophobicContact CD1-CZ2 4.01Å; L200-W218 HydrophobicContact CD2-CZ2 4.49Å; L200-V255 HydrophobicContact CB-CB 4.06Å; L200-V255 HydrophobicContact CB-CG2 4.45Å; L200-P257 HydrophobicContact CD2-CG 3.9Å
201	A	84	Confident	83.3	Confident	36 Å²	36	57 Å²	57	30%	0.298	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-41.8	174.9	0	0	0	0	0	111.5	P198 R199 R204 Q205 V255	P198-A201 PolarHBondContact O-N 3.47Å; R199-A201 VanDerWaalsContact C-N 3.3Å; R199-A201 PolarHBondContact O-N 3.41Å; A201-R204 PolarHBondContact O-N 2.97Å; A201-Q205 WeakPolarHBondContact O-CB 3.37Å; A201-Q205 VanDerWaalsContact O-CG 3.3Å; A201-Q205 WeakPolarHBondContact O-CG 3.2Å; A201-Q205 PolarHBondContact O-N 3.13Å; A201-V255 HydrophobicContact CB-CG1 4.1Å
202	L	82.6	Confident	82.6	Confident	82 Å²	82	60.3 Å²	60.3	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-47.8	178.4	-67.7	172.4	0	0	0	112.3	P198 R199 R204 Q205 Q206	P198-L202 PolarHBondContact O-N 3.45Å; R199-L202 PolarHBondContact O-N 3.29Å; L202-R204 VanDerWaalsContact C-N 3.29Å; L202-R204 PolarHBondContact O-N 2.82Å; L202-Q205 PolarHBondContact O-N 3.47Å; L202-Q206 VanDerWaalsContact O-CB 3.32Å; L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 VanDerWaalsContact O-CG 3.32Å; L202-Q206 WeakPolarHBondContact O-CG 3.46Å; L202-Q206 PolarHBondContact O-N 3.1Å
203	W	82.1	Confident	82	Confident	32 Å²	32	61.3 Å²	61.3	12%	0.121	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-39	177.5	-71.6	-42	0	0	0	111.9	R199 L200 G207 T208 M210 Y214	R199-W203 HydrophobicContact CB-CD2 4.32Å; R199-W203 HydrophobicContact CB-CE3 4.05Å; R199-W203 HydrophobicContact CB-CH2 3.95Å; R199-W203 HydrophobicContact CB-CZ2 4.22Å; R199-W203 HydrophobicContact CB-CZ3 3.84Å; R199-W203 PolarHBondContact O-N 2.89Å; L200-W203 HydrophobicContact CD2-CE3 4.1Å; L200-W203 HydrophobicContact CD2-CZ3 4.1Å; W203-G207 PolarHBondContact O-N 3.3Å; W203-G207 VanDerWaalsContact O-N 3.08Å; W203-T208 PolarHBondContact O-N 3.45Å; W203-T208 VanDerWaalsContact O-N 3.15Å; W203-M210 HydrophobicContact CD2-CG 3.7Å; W203-M210 HydrophobicContact CE3-CB 4.48Å; W203-M210 HydrophobicContact CE3-CG 3.32Å; W203-M210 HydrophobicContact CE3-SD 4.2Å; W203-M210 HydrophobicContact CG-CG 4.34Å; W203-M210 HydrophobicContact CH2-CG 4.18Å; W203-M210 HydrophobicContact CZ2-CG 4.49Å; W203-M210 HydrophobicContact CZ3-CG 3.62Å; W203-M210 HydrophobicContact CZ3-SD 4.33Å; W203-Y214 HydrophobicContact CE3-CE1 4.48Å; W203-Y214 AromaticContact CH2-CD1 3.57Å; W203-Y214 HydrophobicContact CH2-CD1 3.57Å; W203-Y214 AromaticContact CH2-CE1 3.78Å; W203-Y214 HydrophobicContact CH2-CE1 3.78Å; W203-Y214 HydrophobicContact CH2-CG 4.04Å; W203-Y214 AromaticContact CZ3-CD1 3.54Å; W203-Y214 HydrophobicContact CZ3-CD1 3.54Å; W203-Y214 AromaticContact CZ3-CE1 3.36Å; W203-Y214 HydrophobicContact CZ3-CE1 3.36Å; W203-Y214 HydrophobicContact CZ3-CG 4.43Å
204	R	79.4	Confident	81.7	Confident	110 Å²	110	60.4 Å²	60.4	42%	0.415	33%	0.332	S	S	.	.	H	α-helix	trans	-68.5	-43.4	175.9	-169.3	167.4	178.3	125.3	-21.7	112.5	L200 A201 L202 D254	L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.44Å; L200-R204 VanDerWaalsContact O-N 3.15Å; A201-R204 PolarHBondContact O-N 2.97Å; L202-R204 VanDerWaalsContact C-N 3.29Å; L202-R204 PolarHBondContact O-N 2.82Å; R204-D254 PolarHBondContact NE-O 3.45Å; R204-D254 PolarHBondContact NH1-O 3.46Å; R204-D254 PolarHBondContact NH2-O 3.26Å; R204-D254 IonicContact NH2-OD1 3.33Å
205	Q	78.9	Confident	81.4	Confident	159 Å²	159	60.6 Å²	60.6	74%	0.743	33%	0.333	S	S	*	.	H	α-helix	trans	-67.6	-38.3	178.9	-75.6	177.6	0.4	0	0	112.9	A201 L202	A201-Q205 WeakPolarHBondContact O-CB 3.37Å; A201-Q205 VanDerWaalsContact O-CG 3.3Å; A201-Q205 WeakPolarHBondContact O-CG 3.2Å; A201-Q205 PolarHBondContact O-N 3.13Å; L202-Q205 PolarHBondContact O-N 3.47Å
206	Q	77.1	Confident	81.2	Confident	130 Å²	130	63.1 Å²	63.1	61%	0.607	34%	0.344	S	S	*	.	H	α-helix	trans	-86.9	-8.2	-177.4	-65.4	177	-3.9	0	0	113.3	L202 T208	L202-Q206 VanDerWaalsContact O-CB 3.32Å; L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 VanDerWaalsContact O-CG 3.32Å; L202-Q206 WeakPolarHBondContact O-CG 3.46Å; L202-Q206 PolarHBondContact O-N 3.1Å; Q206-T208 HydrophobicContact CB-CG2 3.94Å; Q206-T208 PolarHBondContact O-N 2.92Å
207	G	70.1	Confident	81.2	Confident	50 Å²	50	60.2 Å²	60.2	52%	0.515	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	18.9	-172	0	0	0	0	0	113.3	W203	W203-G207 PolarHBondContact O-N 3.3Å; W203-G207 VanDerWaalsContact O-N 3.08Å
208	T	73	Confident	81.3	Confident	56 Å²	56	59.6 Å²	59.6	34%	0.344	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-85.1	139.6	-179.8	46.1	0	0	0	0	110	W203 Q206	W203-T208 PolarHBondContact O-N 3.45Å; W203-T208 VanDerWaalsContact O-N 3.15Å; Q206-T208 HydrophobicContact CB-CG2 3.94Å; Q206-T208 PolarHBondContact O-N 2.92Å
209	T	69.8	Low	81.4	Confident	105 Å²	105	55.7 Å²	55.7	64%	0.644	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-75.2	141.7	179	52.2	0	0	0	0	110.8
210	M	79.8	Confident	81.6	Confident	17 Å²	17	55.6 Å²	55.6	8%	0.084	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-57	153.2	169	-77.6	168.9	-72.9	0	0	111	L200 W203 Y214 R215 P257	L200-M210 HydrophobicContact CD2-SD 4.27Å; W203-M210 HydrophobicContact CD2-CG 3.7Å; W203-M210 HydrophobicContact CE3-CB 4.48Å; W203-M210 HydrophobicContact CE3-CG 3.32Å; W203-M210 HydrophobicContact CE3-SD 4.2Å; W203-M210 HydrophobicContact CG-CG 4.34Å; W203-M210 HydrophobicContact CH2-CG 4.18Å; W203-M210 HydrophobicContact CZ2-CG 4.49Å; W203-M210 HydrophobicContact CZ3-CG 3.62Å; W203-M210 HydrophobicContact CZ3-SD 4.33Å; M210-Y214 HydrophobicContact CG-CD1 4.21Å; M210-Y214 HydrophobicContact SD-CD1 4.12Å; M210-Y214 HydrophobicContact SD-CE1 4.25Å; M210-R215 VanDerWaalsContact CE-NH1 3.31Å; M210-P257 HydrophobicContact CE-CB 3.98Å; M210-P257 HydrophobicContact SD-CB 4.25Å; M210-P257 HydrophobicContact SD-CG 4.23Å
211	T	80.6	Confident	81.9	Confident	48 Å²	48	55.2 Å²	55.2	29%	0.294	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-68.8	146.2	171.4	62.1	0	0	0	0	111	Y158 K213 Y214 R215	Y158-T211 HydrophobicContact CE1-CG2 4.03Å; T211-K213 VanDerWaalsContact C-N 3.28Å; T211-K213 PolarHBondContact O-N 2.96Å; T211-Y214 PolarHBondContact O-N 3.46Å; T211-Y214 VanDerWaalsContact O-N 3.11Å; T211-Y214 WeakPolarHBondContact OG1-CB 3.46Å; T211-R215 PolarHBondContact O-N 3.25Å
212	D	77.6	Confident	81.8	Confident	68 Å²	68	53.5 Å²	53.5	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-38.7	-175.6	-55.5	-34.4	0	0	0	113.1	R215 Q216 Y488	D212-R215 WeakPolarHBondContact O-CB 3.48Å; D212-R215 PolarHBondContact O-N 3.42Å; D212-Q216 VanDerWaalsContact O-CG 3.32Å; D212-Q216 WeakPolarHBondContact O-CG 3.44Å; D212-Q216 PolarHBondContact O-N 3.12Å; D212-Y488 HydrophobicContact CB-CD2 4.42Å; D212-Y488 HydrophobicContact CB-CE2 4.19Å
213	K	82.3	Confident	81.6	Confident	96 Å²	96	49.8 Å²	49.8	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177.8	-70.4	178.9	176.3	170.7	0	111.5	Y158 H159 T211 R215 Q216 L217	Y158-K213 PolarHBondContact O-NZ 2.74Å; H159-K213 PolarHBondContact CE1-NZ 3.25Å; T211-K213 VanDerWaalsContact C-N 3.28Å; T211-K213 PolarHBondContact O-N 2.96Å; K213-R215 VanDerWaalsContact C-N 3.3Å; K213-Q216 PolarHBondContact O-N 3.45Å; K213-L217 PolarHBondContact O-N 3.31Å
214	Y	85	Confident	81.7	Confident	13 Å²	13	49 Å²	49	5%	0.051	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-35.7	178.2	-173.1	-105.5	0	0	0	111.5	L153 F194 D197 L200 W203 M210 T211 L217 W218	L153-Y214 HydrophobicContact CD2-CE2 3.72Å; F194-Y214 HydrophobicContact CD1-CE2 4.21Å; F194-Y214 AromaticContact CE1-CE2 3.97Å; F194-Y214 HydrophobicContact CE1-CE2 3.97Å; D197-Y214 PolarHBondContact OD2-OH 3.19Å; L200-Y214 HydrophobicContact CD2-CE1 4.02Å; W203-Y214 HydrophobicContact CE3-CE1 4.48Å; W203-Y214 AromaticContact CH2-CD1 3.57Å; W203-Y214 HydrophobicContact CH2-CD1 3.57Å; W203-Y214 AromaticContact CH2-CE1 3.78Å; W203-Y214 HydrophobicContact CH2-CE1 3.78Å; W203-Y214 HydrophobicContact CH2-CG 4.04Å; W203-Y214 AromaticContact CZ3-CD1 3.54Å; W203-Y214 HydrophobicContact CZ3-CD1 3.54Å; W203-Y214 AromaticContact CZ3-CE1 3.36Å; W203-Y214 HydrophobicContact CZ3-CE1 3.36Å; W203-Y214 HydrophobicContact CZ3-CG 4.43Å; M210-Y214 HydrophobicContact CG-CD1 4.21Å; M210-Y214 HydrophobicContact SD-CD1 4.12Å; M210-Y214 HydrophobicContact SD-CE1 4.25Å; T211-Y214 PolarHBondContact O-N 3.46Å; T211-Y214 VanDerWaalsContact O-N 3.11Å; T211-Y214 WeakPolarHBondContact OG1-CB 3.46Å; Y214-L217 HydrophobicContact CD2-CD1 4.25Å; Y214-L217 WeakPolarHBondContact O-CB 3.25Å; Y214-L217 PolarHBondContact O-N 3.3Å; Y214-W218 AromaticContact CD1-CD1 3.8Å; Y214-W218 AromaticContact CD1-NE1 3.87Å; Y214-W218 AromaticContact CE1-CD1 3.48Å; Y214-W218 VanDerWaalsContact CE1-CD1 3.48Å; Y214-W218 AromaticContact CE1-NE1 3.06Å; Y214-W218 AromaticContact CZ-NE1 3.35Å; Y214-W218 VanDerWaalsContact CZ-NE1 3.35Å; Y214-W218 PolarHBondContact O-N 3.33Å; Y214-W218 PolarHBondContact OH-NE1 3.1Å
215	R	85.6	Confident	82.3	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-39.5	175.5	-166.5	67.5	165.9	157.6	9.9	112.9	M210 T211 D212 K213 L217 W218 D219 W258 E259 Y488	M210-R215 VanDerWaalsContact CE-NH1 3.31Å; T211-R215 PolarHBondContact O-N 3.25Å; D212-R215 WeakPolarHBondContact O-CB 3.48Å; D212-R215 PolarHBondContact O-N 3.42Å; K213-R215 VanDerWaalsContact C-N 3.3Å; R215-L217 VanDerWaalsContact C-N 3.28Å; R215-L217 PolarHBondContact O-N 2.9Å; R215-W218 WeakPolarHBondContact O-CB 3.37Å; R215-W218 PolarHBondContact O-N 2.93Å; R215-W218 VanDerWaalsContact O-N 3.12Å; R215-D219 PolarHBondContact O-N 3.4Å; R215-W258 PolarHBondContact NH1-O 3.3Å; R215-W258 VanDerWaalsContact NH2-C 3.33Å; R215-W258 PolarHBondContact NH2-O 2.93Å; R215-E259 PolarHBondContact NH2-O 3.13Å; R215-Y488 HydrophobicContact CB-CD2 4.21Å; R215-Y488 HydrophobicContact CB-CE1 4.34Å; R215-Y488 HydrophobicContact CB-CE2 3.6Å; R215-Y488 HydrophobicContact CG-CD1 3.81Å; R215-Y488 HydrophobicContact CG-CD2 3.93Å; R215-Y488 HydrophobicContact CG-CE1 3.37Å; R215-Y488 HydrophobicContact CG-CE2 3.5Å; R215-Y488 VanDerWaalsContact CG-CE2 3.5Å; R215-Y488 HydrophobicContact CG-CG 4.07Å
216	Q	86.1	Confident	83	Confident	75 Å²	75	36.2 Å²	36.2	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-59.1	-38.6	173.3	-71.7	166.5	15.7	0	0	112.3	D212 K213 W218 D219 E220 Y488	D212-Q216 VanDerWaalsContact O-CG 3.32Å; D212-Q216 WeakPolarHBondContact O-CG 3.44Å; D212-Q216 PolarHBondContact O-N 3.12Å; K213-Q216 PolarHBondContact O-N 3.45Å; Q216-W218 VanDerWaalsContact C-N 3.28Å; Q216-W218 PolarHBondContact O-N 3.26Å; Q216-D219 PolarHBondContact O-N 3.05Å; Q216-E220 PolarHBondContact O-N 3.04Å; Q216-Y488 PolarHBondContact N-OH 3.05Å
217	L	89.3	Confident	83.7	Confident	10 Å²	10	30.3 Å²	30.3	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-39.3	175.9	-61.9	171.4	0	0	0	111.4	L165 N166 F169 F194 K213 Y214 R215 E220 L221	L165-L217 HydrophobicContact CB-CD1 4.48Å; L165-L217 HydrophobicContact CB-CD2 4.03Å; L165-L217 HydrophobicContact CD1-CD1 3.69Å; N166-L217 WeakPolarHBondContact OD1-CD2 3.18Å; F169-L217 HydrophobicContact CE2-CB 4.26Å; F169-L217 HydrophobicContact CE2-CD2 3.78Å; F194-L217 HydrophobicContact CE1-CB 3.87Å; F194-L217 HydrophobicContact CE1-CD1 4.28Å; F194-L217 HydrophobicContact CZ-CB 4.07Å; F194-L217 HydrophobicContact CZ-CD1 4.15Å; K213-L217 PolarHBondContact O-N 3.31Å; Y214-L217 HydrophobicContact CD2-CD1 4.25Å; Y214-L217 WeakPolarHBondContact O-CB 3.25Å; Y214-L217 PolarHBondContact O-N 3.3Å; R215-L217 VanDerWaalsContact C-N 3.28Å; R215-L217 PolarHBondContact O-N 2.9Å; L217-E220 PolarHBondContact O-N 3.28Å; L217-L221 WeakPolarHBondContact O-CB 3.26Å; L217-L221 PolarHBondContact O-N 2.98Å
218	W	89	Confident	84.7	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.8	-37.5	174.9	-83.9	106.2	0	0	0	113.2	F194 M195 L200 Y214 R215 Q216 L221 G222 P257 V292 F293	F194-W218 HydrophobicContact CB-CH2 3.74Å; F194-W218 HydrophobicContact CB-CZ2 3.64Å; F194-W218 HydrophobicContact CD1-CD2 4.3Å; F194-W218 AromaticContact CD1-CE2 3.73Å; F194-W218 HydrophobicContact CD1-CH2 4.48Å; F194-W218 AromaticContact CD1-CZ2 3.85Å; F194-W218 HydrophobicContact CD1-CZ2 3.85Å; F194-W218 AromaticContact CD1-NE1 3.81Å; F194-W218 HydrophobicContact CG-CZ2 4.25Å; M195-W218 HydrophobicContact CG-CH2 4.11Å; M195-W218 HydrophobicContact SD-CH2 3.62Å; M195-W218 HydrophobicContact SD-CZ3 4.3Å; L200-W218 HydrophobicContact CD1-CZ2 4.01Å; L200-W218 HydrophobicContact CD2-CZ2 4.49Å; Y214-W218 AromaticContact CD1-CD1 3.8Å; Y214-W218 AromaticContact CD1-NE1 3.87Å; Y214-W218 AromaticContact CE1-CD1 3.48Å; Y214-W218 VanDerWaalsContact CE1-CD1 3.48Å; Y214-W218 AromaticContact CE1-NE1 3.06Å; Y214-W218 AromaticContact CZ-NE1 3.35Å; Y214-W218 VanDerWaalsContact CZ-NE1 3.35Å; Y214-W218 PolarHBondContact O-N 3.33Å; Y214-W218 PolarHBondContact OH-NE1 3.1Å; R215-W218 WeakPolarHBondContact O-CB 3.37Å; R215-W218 PolarHBondContact O-N 2.93Å; R215-W218 VanDerWaalsContact O-N 3.12Å; Q216-W218 VanDerWaalsContact C-N 3.28Å; Q216-W218 PolarHBondContact O-N 3.26Å; W218-L221 HydrophobicContact CE3-CD2 4.12Å; W218-L221 HydrophobicContact CZ3-CD2 3.99Å; W218-G222 PolarHBondContact O-N 3.48Å; W218-P257 HydrophobicContact CD2-CG 3.87Å; W218-P257 HydrophobicContact CE3-CG 4.39Å; W218-P257 HydrophobicContact CG-CG 4.22Å; W218-P257 HydrophobicContact CH2-CG 4.46Å; W218-P257 HydrophobicContact CZ2-CG 3.96Å; W218-V292 HydrophobicContact CB-CG1 4.27Å; W218-V292 HydrophobicContact CE3-CG2 3.74Å; W218-V292 HydrophobicContact CZ3-CG2 4.07Å; W218-F293 HydrophobicContact CZ3-CE2 4.09Å; W218-F293 AromaticContact CZ3-CZ 3.73Å; W218-F293 HydrophobicContact CZ3-CZ 3.73Å
219	D	87.7	Confident	85.6	Confident	16 Å²	16	25.4 Å²	25.4	9%	0.086	13%	0.134	C	C	.	.	I	π-helix	trans	-64.1	-41.4	174.9	-72.5	-12.7	0	0	0	111.4	R215 Q216 G223 A224 Y488 K492	R215-D219 PolarHBondContact O-N 3.4Å; Q216-D219 PolarHBondContact O-N 3.05Å; D219-G223 CarbonylContact O-C 3.53Å; D219-G223 WeakPolarHBondContact O-CA 3.46Å; D219-G223 PolarHBondContact O-N 2.99Å; D219-A224 PolarHBondContact O-N 3.42Å; D219-Y488 PolarHBondContact OD2-OH 3.38Å; D219-K492 IonicContact OD1-NZ 3.02Å; D219-K492 WeakPolarHBondContact OD2-CE 2.9Å; D219-K492 IonicContact OD2-NZ 3.28Å; D219-K492 PolarHBondContact OD2-NZ 2.95Å
220	E	88.8	Confident	86.7	Confident	52 Å²	52	20.5 Å²	20.5	24%	0.243	10%	0.104	C	C	.	.	I	π-helix	trans	-69.9	-45.4	176	-172.9	169.5	-177.9	0	0	111.7	F169 Q216 L217 A224 L225	F169-E220 HydrophobicContact CD2-CB 4.27Å; F169-E220 HydrophobicContact CD2-CG 3.9Å; F169-E220 HydrophobicContact CE2-CB 4.32Å; F169-E220 HydrophobicContact CE2-CG 4.43Å; F169-E220 HydrophobicContact CG-CG 4.43Å; Q216-E220 PolarHBondContact O-N 3.04Å; L217-E220 PolarHBondContact O-N 3.28Å; E220-A224 WeakPolarHBondContact O-CB 3.32Å; E220-A224 PolarHBondContact O-N 3.2Å; E220-L225 HydrophobicContact CG-CD1 4.41Å; E220-L225 HydrophobicContact CG-CG 4.42Å; E220-L225 WeakPolarHBondContact O-CG 3.49Å; E220-L225 PolarHBondContact O-N 3.44Å
221	L	90.8	Very high	87.2	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-65.3	-60	-179.5	-176.7	153.4	0	0	0	112	F169 L187 I190 T191 F194 L217 W218 W226 F293	F169-L221 HydrophobicContact CE1-CB 4.2Å; F169-L221 HydrophobicContact CE1-CD1 4.02Å; F169-L221 HydrophobicContact CE1-CG 4.42Å; F169-L221 HydrophobicContact CZ-CB 3.92Å; F169-L221 HydrophobicContact CZ-CD1 4.06Å; F169-L221 HydrophobicContact CZ-CG 4.49Å; L187-L221 HydrophobicContact CD1-CG 4.33Å; I190-L221 HydrophobicContact CG2-CD1 3.93Å; T191-L221 HydrophobicContact CG2-CD2 3.99Å; F194-L221 HydrophobicContact CB-CD1 4.44Å; F194-L221 HydrophobicContact CD1-CD1 4.36Å; F194-L221 HydrophobicContact CD2-CD1 3.97Å; F194-L221 HydrophobicContact CE2-CD1 4.21Å; F194-L221 HydrophobicContact CG-CD1 4.02Å; L217-L221 WeakPolarHBondContact O-CB 3.26Å; L217-L221 PolarHBondContact O-N 2.98Å; W218-L221 HydrophobicContact CE3-CD2 4.12Å; W218-L221 HydrophobicContact CZ3-CD2 3.99Å; L221-W226 PolarHBondContact O-N 3.12Å; L221-F293 HydrophobicContact CD2-CE1 3.92Å; L221-F293 HydrophobicContact CD2-CZ 4.14Å
222	G	82.4	Confident	87.6	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-81	-40.9	-174.3	0	0	0	0	0	113	W218 V292	W218-G222 PolarHBondContact O-N 3.48Å; G222-V292 CarbonylContact C-O 3.46Å; G222-V292 VanDerWaalsContact C-O 3.29Å
223	G	77.6	Confident	87.8	Confident	3 Å²	3	17.6 Å²	17.6	3%	0.031	9%	0.089	C	C	.	.	I	π-helix	trans	-80.2	-45.6	-176.7	0	0	0	0	0	113.6	D219 M227 L411	D219-G223 CarbonylContact O-C 3.53Å; D219-G223 WeakPolarHBondContact O-CA 3.46Å; D219-G223 PolarHBondContact O-N 2.99Å; G223-M227 WeakPolarHBondContact O-CB 3.34Å; G223-M227 WeakPolarHBondContact O-CG 3.45Å; G223-L411 WeakPolarHBondContact O-CD2 3.41Å
224	A	85.6	Confident	87.8	Confident	16 Å²	16	18.9 Å²	18.9	13%	0.132	10%	0.096	C	C	.	.	I	π-helix	trans	-100.8	-51.2	-171.7	0	0	0	0	0	114	D219 E220 C228	D219-A224 PolarHBondContact O-N 3.42Å; E220-A224 WeakPolarHBondContact O-CB 3.32Å; E220-A224 PolarHBondContact O-N 3.2Å; A224-C228 PolarHBondContact O-N 2.88Å; A224-C228 VanDerWaalsContact O-N 3.09Å; A224-C228 PolarHBondContact O-SG 2.88Å
225	L	92	Very high	87.7	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-73	-46.8	-172.4	-67.7	173.5	0	0	0	112.9	F169 V172 R173 L187 E220 M227 C228 I229	F169-L225 HydrophobicContact CB-CD1 3.79Å; F169-L225 HydrophobicContact CD1-CD1 3.48Å; F169-L225 VanDerWaalsContact CD1-CD1 3.48Å; F169-L225 HydrophobicContact CE1-CD1 4.17Å; F169-L225 HydrophobicContact CG-CD1 3.69Å; V172-L225 HydrophobicContact CG1-CD2 4.49Å; R173-L225 HydrophobicContact CG-CD2 3.56Å; L187-L225 HydrophobicContact CD1-CB 4.12Å; L187-L225 HydrophobicContact CD1-CD1 3.71Å; L187-L225 HydrophobicContact CD2-CB 3.63Å; E220-L225 HydrophobicContact CG-CD1 4.41Å; E220-L225 HydrophobicContact CG-CG 4.42Å; E220-L225 WeakPolarHBondContact O-CG 3.49Å; E220-L225 PolarHBondContact O-N 3.44Å; L225-M227 VanDerWaalsContact C-N 3.27Å; L225-M227 PolarHBondContact O-N 3.04Å; L225-C228 WeakPolarHBondContact O-CB 3.39Å; L225-C228 PolarHBondContact O-N 3.24Å; L225-C228 VanDerWaalsContact O-N 3.13Å; L225-I229 PolarHBondContact O-N 3.41Å
226	W	93.9	Very high	87.6	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-35	176	-85.4	112.7	0	0	0	112.4	L187 T191 L221 I229 V230 W243 L247 W250 F293 A296	L187-W226 HydrophobicContact CB-CZ2 4.49Å; L187-W226 HydrophobicContact CD2-CD2 3.73Å; L187-W226 HydrophobicContact CD2-CE3 4.37Å; L187-W226 HydrophobicContact CD2-CG 3.83Å; L187-W226 HydrophobicContact CD2-CZ2 4.15Å; L187-W226 HydrophobicContact CG-CZ2 4.13Å; T191-W226 PolarHBondContact OG1-NE1 3.42Å; L221-W226 PolarHBondContact O-N 3.12Å; W226-I229 HydrophobicContact CE3-CB 4.45Å; W226-I229 HydrophobicContact CE3-CD1 4.25Å; W226-I229 HydrophobicContact CE3-CG2 4.41Å; W226-I229 HydrophobicContact CZ3-CD1 4.36Å; W226-I229 HydrophobicContact CZ3-CG2 4.29Å; W226-I229 PolarHBondContact O-N 3.19Å; W226-V230 WeakPolarHBondContact O-CB 3.42Å; W226-V230 WeakPolarHBondContact O-CG2 3.44Å; W226-V230 PolarHBondContact O-N 3.08Å; W226-W243 HydrophobicContact CZ3-CG 4.4Å; W226-L247 HydrophobicContact CB-CD2 4.47Å; W226-L247 HydrophobicContact CD2-CD2 3.92Å; W226-L247 HydrophobicContact CE3-CD2 4.17Å; W226-L247 HydrophobicContact CG-CD2 4.04Å; W226-W250 AromaticContact CE2-CZ3 3.72Å; W226-W250 HydrophobicContact CH2-CH2 4.02Å; W226-W250 AromaticContact CH2-CZ3 3.98Å; W226-W250 HydrophobicContact CH2-CZ3 3.98Å; W226-W250 AromaticContact CZ2-CH2 3.51Å; W226-W250 HydrophobicContact CZ2-CH2 3.51Å; W226-W250 AromaticContact CZ2-CZ3 3.37Å; W226-W250 HydrophobicContact CZ2-CZ3 3.37Å; W226-F293 AromaticContact CD1-CE1 3.69Å; W226-F293 AromaticContact NE1-CE1 3.95Å; W226-A296 HydrophobicContact CB-CB 4Å
227	M	91.9	Very high	87.4	Confident	7 Å²	7	26 Å²	26	3%	0.034	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-46.3	170.9	-76.9	-70.8	-67.1	0	0	111.8	G223 L225 I229 V230 L231 R295 A296 A299 A349 L411	G223-M227 WeakPolarHBondContact O-CB 3.34Å; G223-M227 WeakPolarHBondContact O-CG 3.45Å; L225-M227 VanDerWaalsContact C-N 3.27Å; L225-M227 PolarHBondContact O-N 3.04Å; M227-I229 VanDerWaalsContact C-N 3.35Å; M227-I229 PolarHBondContact O-N 3.03Å; M227-V230 PolarHBondContact O-N 3.48Å; M227-L231 HydrophobicContact CE-CD1 3.93Å; M227-L231 VanDerWaalsContact O-CB 3.27Å; M227-L231 WeakPolarHBondContact O-CB 3.48Å; M227-L231 WeakPolarHBondContact O-CG 3.32Å; M227-L231 PolarHBondContact O-N 3.04Å; M227-R295 HydrophobicContact SD-CB 4.16Å; M227-A296 HydrophobicContact CG-CB 4.41Å; M227-A296 WeakPolarHBondContact SD-CA 3.33Å; M227-A296 HydrophobicContact SD-CB 4.22Å; M227-A299 HydrophobicContact CE-CB 3.73Å; M227-A299 HydrophobicContact SD-CB 3.48Å; M227-A299 WeakPolarHBondContact SD-CB 3.35Å; M227-A349 HydrophobicContact CE-CB 3.65Å; M227-L411 HydrophobicContact CB-CD2 4.39Å; M227-L411 HydrophobicContact CE-CD1 3.99Å; M227-L411 HydrophobicContact CE-CD2 4.11Å; M227-L411 HydrophobicContact CG-CD2 3.69Å; M227-L411 HydrophobicContact SD-CD2 4.47Å
228	C	91.3	Very high	87.2	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-41.9	177.1	-70.9	0	0	0	0	112.6	A224 L225 N232 D352 H357	A224-C228 PolarHBondContact O-N 2.88Å; A224-C228 VanDerWaalsContact O-N 3.09Å; A224-C228 PolarHBondContact O-SG 2.88Å; L225-C228 WeakPolarHBondContact O-CB 3.39Å; L225-C228 PolarHBondContact O-N 3.24Å; L225-C228 VanDerWaalsContact O-N 3.13Å; C228-N232 PolarHBondContact O-N 2.93Å; C228-D352 PolarHBondContact SG-OD2 3.48Å; C228-H357 PolarHBondContact O-NE2 3.24Å
229	I	91.9	Very high	87.1	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-49.3	179.7	-71.5	163.5	0	0	0	111.2	L176 A184 L187 L225 W226 M227 L231 N232 W243	L176-I229 HydrophobicContact CD1-CG1 3.94Å; L176-I229 HydrophobicContact CD2-CG1 3.97Å; A184-I229 HydrophobicContact CB-CD1 4.11Å; A184-I229 HydrophobicContact CB-CG1 4.38Å; A184-I229 HydrophobicContact CB-CG2 3.95Å; L187-I229 HydrophobicContact CB-CD1 4Å; L187-I229 HydrophobicContact CD2-CD1 3.3Å; L187-I229 HydrophobicContact CG-CD1 4.27Å; L225-I229 PolarHBondContact O-N 3.41Å; W226-I229 HydrophobicContact CE3-CB 4.45Å; W226-I229 HydrophobicContact CE3-CD1 4.25Å; W226-I229 HydrophobicContact CE3-CG2 4.41Å; W226-I229 HydrophobicContact CZ3-CD1 4.36Å; W226-I229 HydrophobicContact CZ3-CG2 4.29Å; W226-I229 PolarHBondContact O-N 3.19Å; M227-I229 VanDerWaalsContact C-N 3.35Å; M227-I229 PolarHBondContact O-N 3.03Å; I229-L231 VanDerWaalsContact C-N 3.29Å; I229-L231 PolarHBondContact O-N 2.61Å; I229-N232 VanDerWaalsContact O-CB 3.25Å; I229-N232 WeakPolarHBondContact O-CB 3.37Å; I229-N232 PolarHBondContact O-N 3.15Å; I229-N232 VanDerWaalsContact O-N 3.16Å; I229-W243 HydrophobicContact CG2-CD2 4.01Å; I229-W243 HydrophobicContact CG2-CE3 3.75Å; I229-W243 HydrophobicContact CG2-CH2 3.78Å; I229-W243 HydrophobicContact CG2-CZ2 4.03Å; I229-W243 HydrophobicContact CG2-CZ3 3.61Å
230	V	91.5	Very high	87.1	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-35.2	-177.9	169.6	0	0	0	0	111.7	W226 M227 N232 K240 L247 A299 C300	W226-V230 WeakPolarHBondContact O-CB 3.42Å; W226-V230 WeakPolarHBondContact O-CG2 3.44Å; W226-V230 PolarHBondContact O-N 3.08Å; M227-V230 PolarHBondContact O-N 3.48Å; V230-N232 PolarHBondContact O-N 2.64Å; V230-K240 WeakPolarHBondContact O-CE 3.44Å; V230-L247 HydrophobicContact CG2-CD1 3.94Å; V230-A299 HydrophobicContact CG1-CB 4.24Å; V230-C300 HydrophobicContact CG1-CB 4.1Å; V230-C300 WeakPolarHBondContact CG1-SG 3.41Å
231	L	90.3	Very high	87.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	12.4	177.2	-68.3	178.9	0	0	0	113.8	M227 I229 P233 A299 L302 W304 A349 R350 A353	M227-L231 HydrophobicContact CE-CD1 3.93Å; M227-L231 VanDerWaalsContact O-CB 3.27Å; M227-L231 WeakPolarHBondContact O-CB 3.48Å; M227-L231 WeakPolarHBondContact O-CG 3.32Å; M227-L231 PolarHBondContact O-N 3.04Å; I229-L231 VanDerWaalsContact C-N 3.29Å; I229-L231 PolarHBondContact O-N 2.61Å; L231-P233 VanDerWaalsContact O-CD 3.29Å; L231-P233 WeakPolarHBondContact O-CD 3.37Å; L231-P233 VanDerWaalsContact O-N 3.16Å; L231-A299 HydrophobicContact CD2-CB 4.12Å; L231-A299 HydrophobicContact CG-CB 4.22Å; L231-L302 HydrophobicContact CD2-CB 4.01Å; L231-L302 HydrophobicContact CD2-CD1 4.03Å; L231-W304 HydrophobicContact CB-CZ2 4.5Å; L231-W304 WeakPolarHBondContact O-CZ2 3.26Å; L231-W304 PolarHBondContact O-NE1 3.03Å; L231-A349 HydrophobicContact CD1-CB 3.85Å; L231-R350 HydrophobicContact CD1-CG 4.38Å; L231-A353 HydrophobicContact CB-CB 3.65Å
232	N	88.9	Confident	87.1	Confident	36 Å²	36	40.2 Å²	40.2	19%	0.193	22%	0.217	C	C	.	.			trans	-57.2	120.3	174.8	-179	-6.2	0	0	0	111	C228 I229 V230 H234 C235 H357	C228-N232 PolarHBondContact O-N 2.93Å; I229-N232 VanDerWaalsContact O-CB 3.25Å; I229-N232 WeakPolarHBondContact O-CB 3.37Å; I229-N232 PolarHBondContact O-N 3.15Å; I229-N232 VanDerWaalsContact O-N 3.16Å; V230-N232 PolarHBondContact O-N 2.64Å; N232-H234 PolarHBondContact O-N 2.84Å; N232-H234 PolarHBondContact OD1-N 3.4Å; N232-C235 HydrophobicContact CB-CB 4.08Å; N232-C235 WeakPolarHBondContact O-CB 3.45Å; N232-C235 PolarHBondContact O-N 3.39Å; N232-H357 WeakPolarHBondContact CB-NE2 3.41Å
233	P	82.6	Confident	87.5	Confident	36 Å²	36	41.7 Å²	41.7	23%	0.234	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.7	-179.1	-18.7	27.6	0	0	0	114.6	L231 W304 L354	L231-P233 VanDerWaalsContact O-CD 3.29Å; L231-P233 WeakPolarHBondContact O-CD 3.37Å; L231-P233 VanDerWaalsContact O-N 3.16Å; P233-W304 HydrophobicContact CB-CD2 4.16Å; P233-W304 HydrophobicContact CB-CG 4.23Å; P233-W304 HydrophobicContact CG-CD2 4.28Å; P233-W304 HydrophobicContact CG-CH2 4.33Å; P233-W304 HydrophobicContact CG-CZ2 3.91Å; P233-L354 HydrophobicContact CG-CD2 3.6Å
234	H	81.5	Confident	88.2	Confident	124 Å²	124	43 Å²	43	57%	0.574	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	18.3	-176	-58.2	82.9	0	0	0	112.4	N232 K236 Y359	N232-H234 PolarHBondContact O-N 2.84Å; N232-H234 PolarHBondContact OD1-N 3.4Å; H234-K236 PolarHBondContact O-N 2.92Å; H234-Y359 AromaticContact CE1-CE1 3.81Å; H234-Y359 AromaticContact CE1-CE2 3.86Å; H234-Y359 AromaticContact CE1-CZ 3.25Å; H234-Y359 PolarHBondContact CE1-OH 3.28Å; H234-Y359 AromaticContact ND1-CE2 3.74Å; H234-Y359 AromaticContact ND1-CZ 3.49Å; H234-Y359 PolarHBondContact ND1-OH 3.04Å
235	C	82.4	Confident	88.5	Confident	26 Å²	26	50.7 Å²	50.7	18%	0.176	25%	0.254	C	S	.	.			trans	-65.9	131	178.2	-174.9	0	0	0	0	111.6	N232 W243	N232-C235 HydrophobicContact CB-CB 4.08Å; N232-C235 WeakPolarHBondContact O-CB 3.45Å; N232-C235 PolarHBondContact O-N 3.39Å; C235-W243 HydrophobicContact CB-CZ3 4.39Å; C235-W243 WeakPolarHBondContact SG-CZ3 3.49Å
236	K	83.4	Confident	88.5	Confident	116 Å²	116	53.6 Å²	53.6	50%	0.504	27%	0.268	S	S	.	.			trans	-65.9	136.1	169.2	-64.5	178.7	-178.6	173.7	0	109.2	H234 E238 Q239 K240	H234-K236 PolarHBondContact O-N 2.92Å; K236-E238 PolarHBondContact O-N 3.49Å; K236-E238 VanDerWaalsContact O-N 3.14Å; K236-Q239 HydrophobicContact CB-CB 4.42Å; K236-Q239 HydrophobicContact CB-CG 4.16Å; K236-Q239 WeakPolarHBondContact O-CB 3.5Å; K236-Q239 PolarHBondContact O-N 3.41Å; K236-K240 PolarHBondContact O-N 3.13Å; K236-K240 VanDerWaalsContact O-N 3.11Å
237	P	82.9	Confident	88.5	Confident	100 Å²	100	53.6 Å²	53.6	65%	0.649	27%	0.268	S	S	*	.	H	α-helix	trans	-59.7	-31.6	-176.6	23.5	-33.5	0	0	0	112.9	K240 S241	P237-K240 PolarHBondContact O-N 3.47Å; P237-S241 WeakPolarHBondContact O-CB 3.18Å; P237-S241 PolarHBondContact O-N 2.95Å; P237-S241 PolarHBondContact O-OG 3.11Å
238	E	85.3	Confident	88.5	Confident	159 Å²	159	60 Å²	60	74%	0.743	29%	0.291	S	S	*	.	H	α-helix	trans	-64.2	-43.4	175.3	-63.3	173.9	-175.9	0	0	112.4	K236 S241 S242	K236-E238 PolarHBondContact O-N 3.49Å; K236-E238 VanDerWaalsContact O-N 3.14Å; E238-S241 PolarHBondContact O-N 3.35Å; E238-S242 PolarHBondContact O-N 2.89Å
239	Q	85.6	Confident	88.6	Confident	70 Å²	70	68.7 Å²	68.7	33%	0.327	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-45.6	177	-70.3	176.4	-28.9	0	0	110.7	K236 S241 S242 W243	K236-Q239 HydrophobicContact CB-CB 4.42Å; K236-Q239 HydrophobicContact CB-CG 4.16Å; K236-Q239 WeakPolarHBondContact O-CB 3.5Å; K236-Q239 PolarHBondContact O-N 3.41Å; Q239-S241 VanDerWaalsContact C-N 3.28Å; Q239-S241 PolarHBondContact O-N 3.48Å; Q239-S242 WeakPolarHBondContact O-CA 3.42Å; Q239-S242 VanDerWaalsContact O-CB 3.28Å; Q239-S242 WeakPolarHBondContact O-CB 3.41Å; Q239-S242 PolarHBondContact O-N 3.37Å; Q239-W243 HydrophobicContact CB-CH2 4.23Å; Q239-W243 HydrophobicContact CB-CZ2 4.14Å; Q239-W243 PolarHBondContact O-N 3.01Å
240	K	87.9	Confident	88.6	Confident	40 Å²	40	69.6 Å²	69.6	17%	0.174	33%	0.327	C	S	.	.	H	α-helix	trans	-57.4	-42.5	175.8	-157.1	-179.5	-168.4	-166.4	0	111.9	V230 K236 P237 S242 W243 L244 C300 L302	V230-K240 WeakPolarHBondContact O-CE 3.44Å; K236-K240 PolarHBondContact O-N 3.13Å; K236-K240 VanDerWaalsContact O-N 3.11Å; P237-K240 PolarHBondContact O-N 3.47Å; K240-S242 VanDerWaalsContact C-N 3.32Å; K240-S242 PolarHBondContact O-N 3.2Å; K240-W243 PolarHBondContact O-N 2.92Å; K240-L244 WeakPolarHBondContact O-CB 3.41Å; K240-L244 PolarHBondContact O-N 2.69Å; K240-C300 WeakPolarHBondContact CE-O 3.28Å; K240-C300 PolarHBondContact NZ-O 2.98Å; K240-L302 PolarHBondContact NZ-O 3.44Å
241	S	88.9	Confident	88.5	Confident	67 Å²	67	71.8 Å²	71.8	47%	0.469	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-33.7	177.2	-58.5	0	0	0	0	112.3	P237 E238 Q239 R245	P237-S241 WeakPolarHBondContact O-CB 3.18Å; P237-S241 PolarHBondContact O-N 2.95Å; P237-S241 PolarHBondContact O-OG 3.11Å; E238-S241 PolarHBondContact O-N 3.35Å; Q239-S241 VanDerWaalsContact C-N 3.28Å; Q239-S241 PolarHBondContact O-N 3.48Å; S241-R245 WeakPolarHBondContact O-CG 3.37Å; S241-R245 PolarHBondContact O-N 3.38Å
242	S	90.6	Very high	88.4	Confident	41 Å²	41	76 Å²	76	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-49.9	172.6	-163	0	0	0	0	111.9	E238 Q239 K240 L244 R245 Q246	E238-S242 PolarHBondContact O-N 2.89Å; Q239-S242 WeakPolarHBondContact O-CA 3.42Å; Q239-S242 VanDerWaalsContact O-CB 3.28Å; Q239-S242 WeakPolarHBondContact O-CB 3.41Å; Q239-S242 PolarHBondContact O-N 3.37Å; K240-S242 VanDerWaalsContact C-N 3.32Å; K240-S242 PolarHBondContact O-N 3.2Å; S242-L244 VanDerWaalsContact C-N 3.34Å; S242-L244 PolarHBondContact O-N 2.94Å; S242-R245 WeakPolarHBondContact O-CB 3.31Å; S242-R245 PolarHBondContact O-N 3.5Å; S242-R245 VanDerWaalsContact O-N 3.15Å; S242-Q246 PolarHBondContact O-N 3.17Å; S242-Q246 VanDerWaalsContact O-N 3.08Å
243	W	91.2	Very high	88.4	Confident	31 Å²	31	77 Å²	77	12%	0.117	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-39.9	177.9	-59.3	-34.8	0	0	0	112.3	A184 W226 I229 C235 Q239 K240 R245 Q246 L247	A184-W243 HydrophobicContact CB-CZ2 3.85Å; W226-W243 HydrophobicContact CZ3-CG 4.4Å; I229-W243 HydrophobicContact CG2-CD2 4.01Å; I229-W243 HydrophobicContact CG2-CE3 3.75Å; I229-W243 HydrophobicContact CG2-CH2 3.78Å; I229-W243 HydrophobicContact CG2-CZ2 4.03Å; I229-W243 HydrophobicContact CG2-CZ3 3.61Å; C235-W243 HydrophobicContact CB-CZ3 4.39Å; C235-W243 WeakPolarHBondContact SG-CZ3 3.49Å; Q239-W243 HydrophobicContact CB-CH2 4.23Å; Q239-W243 HydrophobicContact CB-CZ2 4.14Å; Q239-W243 PolarHBondContact O-N 3.01Å; K240-W243 PolarHBondContact O-N 2.92Å; W243-R245 VanDerWaalsContact C-N 3.3Å; W243-R245 PolarHBondContact O-N 3.21Å; W243-Q246 PolarHBondContact O-N 3.46Å; W243-Q246 VanDerWaalsContact O-N 3.13Å; W243-L247 WeakPolarHBondContact O-CB 3.47Å; W243-L247 WeakPolarHBondContact O-CG 3.14Å; W243-L247 PolarHBondContact O-N 2.94Å
244	L	91.7	Very high	88.3	Confident	30 Å²	30	81 Å²	81	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-58.4	-41.2	174.8	178.4	59.3	0	0	0	112	K240 S242 R248 I297 C300	K240-L244 WeakPolarHBondContact O-CB 3.41Å; K240-L244 PolarHBondContact O-N 2.69Å; S242-L244 VanDerWaalsContact C-N 3.34Å; S242-L244 PolarHBondContact O-N 2.94Å; L244-R248 HydrophobicContact CD1-CG 4.29Å; L244-R248 WeakPolarHBondContact O-CB 3.44Å; L244-R248 VanDerWaalsContact O-CG 3.3Å; L244-R248 WeakPolarHBondContact O-CG 3.48Å; L244-R248 PolarHBondContact O-N 3.35Å; L244-I297 HydrophobicContact CD1-CG2 3.94Å; L244-C300 HydrophobicContact CB-CB 4.45Å; L244-C300 HydrophobicContact CD1-CB 3.85Å; L244-C300 HydrophobicContact CD2-CB 4.31Å; L244-C300 HydrophobicContact CG-CB 4.42Å
245	R	92.9	Very high	88.5	Confident	178 Å²	178	77 Å²	77	67%	0.672	38%	0.38	S	S	*	.	H	α-helix	trans	-64.7	-41.8	175	-74.4	-175.4	-67.1	161.3	-0.4	111.8	S241 S242 W243 R249	S241-R245 WeakPolarHBondContact O-CG 3.37Å; S241-R245 PolarHBondContact O-N 3.38Å; S242-R245 WeakPolarHBondContact O-CB 3.31Å; S242-R245 PolarHBondContact O-N 3.5Å; S242-R245 VanDerWaalsContact O-N 3.15Å; W243-R245 VanDerWaalsContact C-N 3.3Å; W243-R245 PolarHBondContact O-N 3.21Å; R245-R249 WeakPolarHBondContact O-CB 3.44Å; R245-R249 PolarHBondContact O-N 2.86Å
246	Q	92	Very high	88.6	Confident	61 Å²	61	76 Å²	76	29%	0.285	37%	0.373	S	S	.	.	H	α-helix	trans	-64.9	-48.4	177.6	-71.5	176.8	-25.2	0	0	112.1	S242 W243 R248 R249 W250	S242-Q246 PolarHBondContact O-N 3.17Å; S242-Q246 VanDerWaalsContact O-N 3.08Å; W243-Q246 PolarHBondContact O-N 3.46Å; W243-Q246 VanDerWaalsContact O-N 3.13Å; Q246-R248 VanDerWaalsContact C-N 3.33Å; Q246-R248 PolarHBondContact O-N 3.48Å; Q246-R249 WeakPolarHBondContact O-CA 3.45Å; Q246-R249 WeakPolarHBondContact O-CB 3.38Å; Q246-R249 PolarHBondContact O-N 3.1Å; Q246-R249 VanDerWaalsContact O-N 3.08Å; Q246-W250 HydrophobicContact CB-CH2 4.46Å; Q246-W250 PolarHBondContact O-N 2.87Å
247	L	92.8	Very high	88.7	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-42.6	177.7	-71.2	169.7	0	0	0	111.6	W226 V230 W243 R249 W250 N251 F293 A296 I297	W226-L247 HydrophobicContact CB-CD2 4.47Å; W226-L247 HydrophobicContact CD2-CD2 3.92Å; W226-L247 HydrophobicContact CE3-CD2 4.17Å; W226-L247 HydrophobicContact CG-CD2 4.04Å; V230-L247 HydrophobicContact CG2-CD1 3.94Å; W243-L247 WeakPolarHBondContact O-CB 3.47Å; W243-L247 WeakPolarHBondContact O-CG 3.14Å; W243-L247 PolarHBondContact O-N 2.94Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3.01Å; L247-W250 HydrophobicContact CD2-CE3 4.06Å; L247-W250 HydrophobicContact CD2-CZ3 4.12Å; L247-W250 PolarHBondContact O-N 3.19Å; L247-N251 WeakPolarHBondContact O-CB 3.45Å; L247-N251 PolarHBondContact O-N 3.13Å; L247-F293 HydrophobicContact CD2-CB 4.33Å; L247-F293 HydrophobicContact CD2-CD1 3.69Å; L247-F293 HydrophobicContact CD2-CE1 4.27Å; L247-F293 HydrophobicContact CD2-CG 4.18Å; L247-A296 HydrophobicContact CD1-CB 4.05Å; L247-I297 HydrophobicContact CB-CD1 4.29Å; L247-I297 HydrophobicContact CB-CG1 3.75Å
248	R	92.5	Very high	88.6	Confident	140 Å²	140	69.4 Å²	69.4	53%	0.528	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-39.1	174.5	-76.1	179.1	179.2	177.6	3.2	112.1	L244 Q246 N251 S252 I297	L244-R248 HydrophobicContact CD1-CG 4.29Å; L244-R248 WeakPolarHBondContact O-CB 3.44Å; L244-R248 VanDerWaalsContact O-CG 3.3Å; L244-R248 WeakPolarHBondContact O-CG 3.48Å; L244-R248 PolarHBondContact O-N 3.35Å; Q246-R248 VanDerWaalsContact C-N 3.33Å; Q246-R248 PolarHBondContact O-N 3.48Å; R248-N251 PolarHBondContact O-N 3.07Å; R248-S252 WeakPolarHBondContact O-CB 3.45Å; R248-S252 PolarHBondContact O-N 3.19Å; R248-S252 PolarHBondContact O-OG 3.34Å; R248-I297 HydrophobicContact CG-CD1 4.33Å; R248-I297 HydrophobicContact CG-CG2 4.46Å
249	R	92.8	Very high	88.1	Confident	185 Å²	185	62.1 Å²	62.1	70%	0.698	30%	0.298	S	S	*	.	H	α-helix	trans	-60.6	-51.8	174.8	-176.6	-177.7	178.2	-169.8	-0.9	110.6	R245 Q246 L247 N251 S252	R245-R249 WeakPolarHBondContact O-CB 3.44Å; R245-R249 PolarHBondContact O-N 2.86Å; Q246-R249 WeakPolarHBondContact O-CA 3.45Å; Q246-R249 WeakPolarHBondContact O-CB 3.38Å; Q246-R249 PolarHBondContact O-N 3.1Å; Q246-R249 VanDerWaalsContact O-N 3.08Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3.01Å; R249-N251 PolarHBondContact O-N 3.22Å; R249-S252 PolarHBondContact O-N 3.48Å; R249-S252 PolarHBondContact O-OG 3.48Å
250	W	92.3	Very high	87.1	Confident	20 Å²	20	62.6 Å²	62.6	8%	0.076	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-39.7	178.3	-63.3	-37.2	0	0	0	113	T188 T191 E192 M195 W226 Q246 L247 S252 V253 F293	T188-W250 HydrophobicContact CG2-CH2 4.06Å; T188-W250 HydrophobicContact CG2-CZ2 4.15Å; T191-W250 HydrophobicContact CG2-CD2 3.92Å; T191-W250 HydrophobicContact CG2-CE3 3.63Å; T191-W250 HydrophobicContact CG2-CH2 3.77Å; T191-W250 HydrophobicContact CG2-CZ2 4.02Å; T191-W250 HydrophobicContact CG2-CZ3 3.57Å; E192-W250 HydrophobicContact CG-CZ2 3.94Å; M195-W250 HydrophobicContact CE-CB 4.15Å; M195-W250 HydrophobicContact CG-CG 4.32Å; W226-W250 AromaticContact CE2-CZ3 3.72Å; W226-W250 HydrophobicContact CH2-CH2 4.02Å; W226-W250 AromaticContact CH2-CZ3 3.98Å; W226-W250 HydrophobicContact CH2-CZ3 3.98Å; W226-W250 AromaticContact CZ2-CH2 3.51Å; W226-W250 HydrophobicContact CZ2-CH2 3.51Å; W226-W250 AromaticContact CZ2-CZ3 3.37Å; W226-W250 HydrophobicContact CZ2-CZ3 3.37Å; Q246-W250 HydrophobicContact CB-CH2 4.46Å; Q246-W250 PolarHBondContact O-N 2.87Å; L247-W250 HydrophobicContact CD2-CE3 4.06Å; L247-W250 HydrophobicContact CD2-CZ3 4.12Å; L247-W250 PolarHBondContact O-N 3.19Å; W250-S252 PolarHBondContact O-N 3.21Å; W250-V253 WeakPolarHBondContact O-CB 3.35Å; W250-V253 PolarHBondContact O-N 3.34Å; W250-V253 VanDerWaalsContact O-N 3.12Å; W250-F293 HydrophobicContact CB-CD2 4.08Å; W250-F293 HydrophobicContact CB-CE2 3.79Å; W250-F293 HydrophobicContact CB-CZ 4.47Å; W250-F293 HydrophobicContact CE3-CE1 4.32Å; W250-F293 HydrophobicContact CE3-CE2 4.5Å; W250-F293 HydrophobicContact CE3-CZ 4.13Å
251	N	89.6	Confident	85.7	Confident	48 Å²	48	61.4 Å²	61.4	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-28.5	177.2	-176.3	83.6	0	0	0	113.1	L247 R248 R249 V253 T291 T294 I297	L247-N251 WeakPolarHBondContact O-CB 3.45Å; L247-N251 PolarHBondContact O-N 3.13Å; R248-N251 PolarHBondContact O-N 3.07Å; R249-N251 PolarHBondContact O-N 3.22Å; N251-V253 VanDerWaalsContact C-N 3.34Å; N251-T291 WeakPolarHBondContact OD1-CB 3.47Å; N251-T291 VanDerWaalsContact OD1-CG2 3.25Å; N251-T291 WeakPolarHBondContact OD1-CG2 3.46Å; N251-T291 PolarHBondContact OD1-OG1 3.49Å; N251-T294 PolarHBondContact OD1-OG1 3.31Å; N251-I297 HydrophobicContact CB-CD1 3.69Å
252	S	88.1	Confident	84	Confident	88 Å²	88	60.4 Å²	60.4	62%	0.615	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.8	176.2	68.9	0	0	0	0	114.4	R248 R249 W250 D254	R248-S252 WeakPolarHBondContact O-CB 3.45Å; R248-S252 PolarHBondContact O-N 3.19Å; R248-S252 PolarHBondContact O-OG 3.34Å; R249-S252 PolarHBondContact O-N 3.48Å; R249-S252 PolarHBondContact O-OG 3.48Å; W250-S252 PolarHBondContact O-N 3.21Å; S252-D254 PolarHBondContact O-N 2.9Å
253	V	88.4	Confident	82.1	Confident	58 Å²	58	62.4 Å²	62.4	35%	0.352	30%	0.296	S	S	.	.	S	Bend	trans	-74.2	125.7	178.4	176.3	0	0	0	0	108.9	M195 W250 N251 V255 C256	M195-V253 HydrophobicContact CE-CB 3.7Å; M195-V253 HydrophobicContact CE-CG1 3.9Å; M195-V253 HydrophobicContact CE-CG2 4.07Å; W250-V253 WeakPolarHBondContact O-CB 3.35Å; W250-V253 PolarHBondContact O-N 3.34Å; W250-V253 VanDerWaalsContact O-N 3.12Å; N251-V253 VanDerWaalsContact C-N 3.34Å; V253-V255 VanDerWaalsContact C-N 3.26Å; V253-V255 HydrophobicContact CG1-CG2 3.51Å; V253-V255 PolarHBondContact O-N 3.5Å; V253-C256 WeakPolarHBondContact O-CB 3.21Å; V253-C256 PolarHBondContact O-N 3.15Å
254	D	81.4	Confident	79.8	Confident	118 Å²	118	65.3 Å²	65.3	63%	0.631	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-41	-177.6	-77.3	-42.7	0	0	0	112.7	R204 S252 C256	R204-D254 PolarHBondContact NE-O 3.45Å; R204-D254 PolarHBondContact NH1-O 3.46Å; R204-D254 PolarHBondContact NH2-O 3.26Å; R204-D254 IonicContact NH2-OD1 3.33Å; S252-D254 PolarHBondContact O-N 2.9Å; D254-C256 PolarHBondContact O-N 3.33Å; D254-C256 VanDerWaalsContact O-N 3.07Å
255	V	85.3	Confident	77.2	Confident	42 Å²	42	71.6 Å²	71.6	26%	0.255	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-2.2	-179.3	-59.9	0	0	0	0	114.5	L200 A201 V253 P257	L200-V255 HydrophobicContact CB-CB 4.06Å; L200-V255 HydrophobicContact CB-CG2 4.45Å; A201-V255 HydrophobicContact CB-CG1 4.1Å; V253-V255 VanDerWaalsContact C-N 3.26Å; V253-V255 HydrophobicContact CG1-CG2 3.51Å; V253-V255 PolarHBondContact O-N 3.5Å; V255-P257 WeakPolarHBondContact O-CD 3.21Å
256	C	85.7	Confident	74.4	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.027	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-60.1	125.7	178.9	-170.4	0	0	0	0	111.1	M195 V253 D254 T291	M195-C256 HydrophobicContact CE-CB 4.16Å; V253-C256 WeakPolarHBondContact O-CB 3.21Å; V253-C256 PolarHBondContact O-N 3.15Å; D254-C256 PolarHBondContact O-N 3.33Å; D254-C256 VanDerWaalsContact O-N 3.07Å; C256-T291 HydrophobicContact CB-CG2 4.43Å
257	P	84.8	Confident	71.3	Confident	4 Å²	4	75.3 Å²	75.3	3%	0.026	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60.1	141.4	179	-26.2	36.1	0	0	0	112.8	L200 M210 W218 V255 T291 V292	L200-P257 HydrophobicContact CD2-CG 3.9Å; M210-P257 HydrophobicContact CE-CB 3.98Å; M210-P257 HydrophobicContact SD-CB 4.25Å; M210-P257 HydrophobicContact SD-CG 4.23Å; W218-P257 HydrophobicContact CD2-CG 3.87Å; W218-P257 HydrophobicContact CE3-CG 4.39Å; W218-P257 HydrophobicContact CG-CG 4.22Å; W218-P257 HydrophobicContact CH2-CG 4.46Å; W218-P257 HydrophobicContact CZ2-CG 3.96Å; V255-P257 WeakPolarHBondContact O-CD 3.21Å; P257-T291 WeakPolarHBondContact O-CA 3.45Å; P257-T291 WeakPolarHBondContact O-CB 3.34Å; P257-V292 HydrophobicContact CB-CG1 4.06Å; P257-V292 PolarHBondContact O-N 2.97Å; P257-V292 VanDerWaalsContact O-N 3.16Å
258	W	80.6	Confident	68.4	Low	73 Å²	73	80.4 Å²	80.4	28%	0.277	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-70.4	173.3	175.9	-67.9	12.9	0	0	0	110.8	R215 H263 V292	R215-W258 PolarHBondContact NH1-O 3.3Å; R215-W258 VanDerWaalsContact NH2-C 3.33Å; R215-W258 PolarHBondContact NH2-O 2.93Å; W258-H263 WeakPolarHBondContact CZ3-O 3.4Å; W258-V292 VanDerWaalsContact O-CG1 3.29Å; W258-V292 WeakPolarHBondContact O-CG1 3.47Å
259	E	74.9	Confident	65.2	Low	7 Å²	7	81.1 Å²	81.1	3%	0.033	43%	0.427	C	S	.	.	S	Bend	trans	-83	-49.2	177.5	-166.2	158.8	-136.3	0	0	112.1	R215 R290 R295	R215-E259 PolarHBondContact NH2-O 3.13Å; E259-R290 HydrophobicContact CB-CB 4.15Å; E259-R290 PolarHBondContact N-O 3.5Å; E259-R290 IonicContact OE2-CZ 3.04Å; E259-R290 IonicContact OE2-NE 3.9Å; E259-R290 PolarHBondContact OE2-NE 3.43Å; E259-R290 IonicContact OE2-NH2 3.14Å; E259-R290 PolarHBondContact OE2-NH2 3.27Å; E259-R295 WeakPolarHBondContact OE1-CD 3.48Å; E259-R295 VanDerWaalsContact OE1-CG 3.31Å; E259-R295 WeakPolarHBondContact OE1-CG 3.09Å; E259-R295 IonicContact OE1-CZ 3.73Å; E259-R295 VanDerWaalsContact OE1-CZ 3.29Å; E259-R295 IonicContact OE1-NE 3.82Å; E259-R295 PolarHBondContact OE1-NE 3.38Å; E259-R295 IonicContact OE1-NH1 2.74Å; E259-R295 PolarHBondContact OE1-NH1 3.26Å; E259-R295 IonicContact OE2-CZ 3.7Å; E259-R295 IonicContact OE2-NH1 2.8Å; E259-R295 PolarHBondContact OE2-NH1 3.13Å
260	D	64.8	Low	62.2	Low	80 Å²	80	79.8 Å²	79.8	43%	0.428	43%	0.432	S	S	.	.	S	Bend	trans	-97.8	9.2	-173.8	-61	-45.7	0	0	0	115.2
261	G	59.2	Low	59.4	Low	14 Å²	14	84.2 Å²	84.2	14%	0.144	46%	0.462	C	S	.	.			trans	100	155.6	-179.1	0	0	0	0	0	112.2	H263	G261-H263 PolarHBondContact O-N 3.46Å
262	N	52.4	Low	56.5	Low	46 Å²	46	90.4 Å²	90.4	25%	0.246	49%	0.489	C	S	.	.			trans	-72.1	95.4	-177.8	-67.9	-9.3	0	0	0	109.7
263	H	51.1	Low	53.6	Low	83 Å²	83	91.6 Å²	91.6	38%	0.384	50%	0.498	S	S	.	.			trans	-94.1	102.5	158.9	-75.7	-57	0	0	0	109.5	W258 G261 N265 G486	W258-H263 WeakPolarHBondContact CZ3-O 3.4Å; G261-H263 PolarHBondContact O-N 3.46Å; H263-N265 PolarHBondContact O-N 2.92Å; H263-G486 VanDerWaalsContact CE1-CA 3.47Å; H263-G486 WeakPolarHBondContact CE1-CA 3.1Å; H263-G486 WeakPolarHBondContact NE2-CA 3.28Å; H263-G486 PolarHBondContact NE2-N 3.24Å
264	V	42	Very low	50.6	Low	93 Å²	93	96.5 Å²	96.5	56%	0.564	52%	0.521	S	S	*	.			trans	-66	87.1	159	-180	0	0	0	0	106.9	E266	V264-E266 PolarHBondContact O-N 3.35Å
265	N	38.7	Very low	48.2	Very low	162 Å²	162	96.7 Å²	96.7	87%	0.866	53%	0.528	S	S	*	.			trans	-90.8	53.5	163.8	-139.5	21.3	0	0	0	109.7	H263	H263-N265 PolarHBondContact O-N 2.92Å
266	E	32.4	Very low	45.5	Very low	175 Å²	175	104 Å²	104	82%	0.818	56%	0.56	S	S	*	*			trans	-140.4	62.1	161.7	-72	-163.6	169.1	0	0	109	V264	V264-E266 PolarHBondContact O-N 3.35Å
267	L	28.2	Very low	42.6	Very low	142 Å²	142	107.4 Å²	107.4	74%	0.743	60%	0.596	S	S	*	*			trans	-87.5	123.8	144.2	-113.1	81.3	0	0	0	106.1	N269	L267-N269 PolarHBondContact O-N 3.04Å
268	P	31	Very low	40.1	Very low	107 Å²	107	111.2 Å²	111.2	70%	0.695	63%	0.628	S	S	*	*			trans	-62.9	116.4	173.7	25.2	-29.7	0	0	0	107.8	L270	P268-L270 PolarHBondContact O-N 3.27Å
269	N	26.3	Very low	37.7	Very low	155 Å²	155	117 Å²	117	83%	0.829	66%	0.657	S	S	*	*			trans	-60.7	85.3	166.4	-77.5	-32.1	0	0	0	108.3	L267 T271	L267-N269 PolarHBondContact O-N 3.04Å; N269-T271 PolarHBondContact O-N 3.47Å
270	L	30.2	Very low	35.6	Very low	156 Å²	156	120 Å²	120	82%	0.817	69%	0.69	S	S	*	*			trans	-73.3	66.4	163.5	-82.3	161.2	0	0	0	108.3	P268	P268-L270 PolarHBondContact O-N 3.27Å
271	T	32	Very low	33.9	Very low	113 Å²	113	122.9 Å²	122.9	69%	0.693	71%	0.706	S	S	*	*	S	Bend	trans	-179.5	115.9	154.1	25.6	0	0	0	0	108.5	N269	N269-T271 PolarHBondContact O-N 3.47Å
272	H	29.1	Very low	32.4	Very low	178 Å²	178	131.4 Å²	131.4	82%	0.824	74%	0.742	S	S	*	*			trans	114.3	78	168	-64.6	-73.8	0	0	0	115.8
273	S	26.5	Very low	31.1	Very low	114 Å²	114	133.9 Å²	133.9	80%	0.797	77%	0.769	S	S	*	*			trans	-66.3	117.9	139.7	40.9	0	0	0	0	109.4
274	L	27.1	Very low	30.3	Very low	160 Å²	160	134.6 Å²	134.6	84%	0.838	78%	0.783	S	S	*	*			trans	-175	140.7	143.2	-94.9	156.8	0	0	0	108.4	Q276	L274-Q276 PolarHBondContact O-N 2.75Å
275	P	29.7	Very low	29.6	Very low	122 Å²	122	139.4 Å²	139.4	79%	0.792	80%	0.796	S	S	*	*			trans	-82.6	116.9	-167.6	31.6	-29.8	0	0	0	110.7
276	Q	29.2	Very low	29.1	Very low	195 Å²	195	140 Å²	140	91%	0.911	80%	0.796	S	S	*	*			trans	-91.8	131.3	164.9	-94.7	176.2	-2.3	0	0	110.4	L274	L274-Q276 PolarHBondContact O-N 2.75Å
277	G	24.8	Very low	29.5	Very low	76 Å²	76	142.1 Å²	142.1	78%	0.784	80%	0.797	S	S	*	*			trans	-35.4	142.1	-173	0	0	0	0	0	117.6
278	A	32.5	Very low	30.5	Very low	85 Å²	85	140.5 Å²	140.5	70%	0.702	80%	0.795	S	S	*	*	S	Bend	trans	-53.6	150.1	165.6	0	0	0	0	0	111.8
279	H	30.5	Very low	32	Very low	194 Å²	194	142.3 Å²	142.3	90%	0.898	79%	0.794	S	S	*	*	S	Bend	trans	94.4	84	177.5	-50.6	-66.8	0	0	0	115.4
280	G	30.4	Very low	34.6	Very low	70 Å²	70	139.2 Å²	139.2	72%	0.722	77%	0.77	S	S	*	*	S	Bend	trans	168.5	-22.3	163.8	0	0	0	0	0	116.7
281	N	29	Very low	37.3	Very low	141 Å²	141	132.2 Å²	132.2	75%	0.754	73%	0.734	S	S	*	*			trans	-122.7	47	-161.9	-101.9	0.6	0	0	0	116
282	Q	26.7	Very low	40	Very low	192 Å²	192	127 Å²	127	90%	0.897	70%	0.702	S	S	*	*	S	Bend	trans	-100.1	-13	168.7	-75.8	-171.8	11.6	0	0	114.6
283	A	26.7	Very low	43	Very low	99 Å²	99	118.5 Å²	118.5	82%	0.818	66%	0.663	S	S	*	*	S	Bend	trans	-87.9	-13.6	-178.7	0	0	0	0	0	115
284	S	33.4	Very low	46	Very low	98 Å²	98	114 Å²	114	69%	0.685	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-3.2	-174.2	-173.6	0	0	0	0	114.9
285	K	27.6	Very low	48.9	Very low	193 Å²	193	107.5 Å²	107.5	84%	0.839	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	9.6	-174.8	-85.3	-173.3	174.3	-175.8	0	115.5
286	M	28.1	Very low	51.8	Low	175 Å²	175	101.7 Å²	101.7	86%	0.862	56%	0.557	S	S	*	*			trans	-141.4	40.1	-178.9	-74.3	-162.4	71.8	0	0	114.5	P288	M286-P288 WeakPolarHBondContact O-CD 3.45Å
287	R	40.1	Very low	54.8	Low	219 Å²	219	93.5 Å²	93.5	83%	0.826	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-81.8	116.9	159.3	-80.7	-170.7	179.8	-174.1	0.4	107.8
288	P	49.2	Very low	57.9	Low	109 Å²	109	94.3 Å²	94.3	71%	0.708	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-58.9	141	176.4	23.7	-31.2	0	0	0	109.6	M286 R290	M286-P288 WeakPolarHBondContact O-CD 3.45Å; P288-R290 PolarHBondContact O-N 3.07Å; P288-R290 VanDerWaalsContact O-N 3.15Å
289	H	63.4	Low	60.6	Low	144 Å²	144	90.4 Å²	90.4	67%	0.667	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-55	118.5	176.9	-64.2	-78.9	0	0	0	109.8
290	R	79.8	Confident	63.4	Low	90 Å²	90	81.7 Å²	81.7	34%	0.34	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-85.6	120.6	177.8	-62.8	-175.1	70.4	100.8	5.5	109.8	E259 P288 T294 E298	E259-R290 HydrophobicContact CB-CB 4.15Å; E259-R290 PolarHBondContact N-O 3.5Å; E259-R290 IonicContact OE2-CZ 3.04Å; E259-R290 IonicContact OE2-NE 3.9Å; E259-R290 PolarHBondContact OE2-NE 3.43Å; E259-R290 IonicContact OE2-NH2 3.14Å; E259-R290 PolarHBondContact OE2-NH2 3.27Å; P288-R290 PolarHBondContact O-N 3.07Å; P288-R290 VanDerWaalsContact O-N 3.15Å; R290-T294 HydrophobicContact CG-CG2 4.31Å; R290-E298 IonicContact CZ-OE1 2.8Å; R290-E298 IonicContact CZ-OE2 3.76Å; R290-E298 IonicContact NH1-OE1 3.97Å; R290-E298 PolarHBondContact NH1-OE1 3.08Å; R290-E298 IonicContact NH1-OE2 2.94Å; R290-E298 IonicContact NH2-OE1 2.61Å; R290-E298 IonicContact NH2-OE2 3.13Å; R290-E298 PolarHBondContact NH2-OE2 2.82Å
291	T	88.2	Confident	66	Low	9 Å²	9	84.1 Å²	84.1	6%	0.055	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-100.5	171.6	171.8	80.2	0	0	0	0	110.3	N251 C256 P257 F293 T294	N251-T291 WeakPolarHBondContact OD1-CB 3.47Å; N251-T291 VanDerWaalsContact OD1-CG2 3.25Å; N251-T291 WeakPolarHBondContact OD1-CG2 3.46Å; N251-T291 PolarHBondContact OD1-OG1 3.49Å; C256-T291 HydrophobicContact CB-CG2 4.43Å; P257-T291 WeakPolarHBondContact O-CA 3.45Å; P257-T291 WeakPolarHBondContact O-CB 3.34Å; T291-F293 PolarHBondContact O-N 3.02Å; T291-F293 PolarHBondContact OG1-N 3.31Å; T291-F293 VanDerWaalsContact OG1-N 3.14Å; T291-T294 PolarHBondContact N-OG1 3.08Å; T291-T294 WeakPolarHBondContact O-CB 3.39Å; T291-T294 PolarHBondContact O-N 2.88Å; T291-T294 PolarHBondContact O-OG1 3.47Å
292	V	88.2	Confident	68.9	Low	3 Å²	3	79.4 Å²	79.4	2%	0.018	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.1	172.8	-63	0	0	0	0	114.5	W218 G222 P257 W258	W218-V292 HydrophobicContact CB-CG1 4.27Å; W218-V292 HydrophobicContact CE3-CG2 3.74Å; W218-V292 HydrophobicContact CZ3-CG2 4.07Å; G222-V292 CarbonylContact C-O 3.46Å; G222-V292 VanDerWaalsContact C-O 3.29Å; P257-V292 HydrophobicContact CB-CG1 4.06Å; P257-V292 PolarHBondContact O-N 2.97Å; P257-V292 VanDerWaalsContact O-N 3.16Å; W258-V292 VanDerWaalsContact O-CG1 3.29Å; W258-V292 WeakPolarHBondContact O-CG1 3.47Å
293	F	91.9	Very high	71.6	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-8.7	179.4	-61.8	-61.2	0	0	0	114.1	T191 M195 W218 L221 W226 L247 W250 T291 R295 A296 I297	T191-F293 HydrophobicContact CG2-CE1 4.08Å; T191-F293 HydrophobicContact CG2-CZ 3.61Å; M195-F293 HydrophobicContact SD-CE2 4.15Å; W218-F293 HydrophobicContact CZ3-CE2 4.09Å; W218-F293 AromaticContact CZ3-CZ 3.73Å; W218-F293 HydrophobicContact CZ3-CZ 3.73Å; L221-F293 HydrophobicContact CD2-CE1 3.92Å; L221-F293 HydrophobicContact CD2-CZ 4.14Å; W226-F293 AromaticContact CD1-CE1 3.69Å; W226-F293 AromaticContact NE1-CE1 3.95Å; L247-F293 HydrophobicContact CD2-CB 4.33Å; L247-F293 HydrophobicContact CD2-CD1 3.69Å; L247-F293 HydrophobicContact CD2-CE1 4.27Å; L247-F293 HydrophobicContact CD2-CG 4.18Å; W250-F293 HydrophobicContact CB-CD2 4.08Å; W250-F293 HydrophobicContact CB-CE2 3.79Å; W250-F293 HydrophobicContact CB-CZ 4.47Å; W250-F293 HydrophobicContact CE3-CE1 4.32Å; W250-F293 HydrophobicContact CE3-CE2 4.5Å; W250-F293 HydrophobicContact CE3-CZ 4.13Å; T291-F293 PolarHBondContact O-N 3.02Å; T291-F293 PolarHBondContact OG1-N 3.31Å; T291-F293 VanDerWaalsContact OG1-N 3.14Å; F293-R295 VanDerWaalsContact C-N 3.33Å; F293-R295 PolarHBondContact O-N 2.99Å; F293-A296 PolarHBondContact O-N 3.48Å; F293-A296 VanDerWaalsContact O-N 3.11Å; F293-I297 HydrophobicContact CB-CD1 4.45Å; F293-I297 WeakPolarHBondContact O-CG1 3.22Å; F293-I297 PolarHBondContact O-N 3.46Å
294	T	90.3	Very high	74.6	Confident	20 Å²	20	72 Å²	72	12%	0.123	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-43.1	-172.7	-59.9	0	0	0	0	112	N251 R290 T291 A296 I297 E298	N251-T294 PolarHBondContact OD1-OG1 3.31Å; R290-T294 HydrophobicContact CG-CG2 4.31Å; T291-T294 PolarHBondContact N-OG1 3.08Å; T291-T294 WeakPolarHBondContact O-CB 3.39Å; T291-T294 PolarHBondContact O-N 2.88Å; T291-T294 PolarHBondContact O-OG1 3.47Å; T294-A296 PolarHBondContact O-N 3.34Å; T294-I297 PolarHBondContact O-N 3.2Å; T294-E298 HydrophobicContact CG2-CG 4.49Å; T294-E298 WeakPolarHBondContact O-CG 3.42Å; T294-E298 PolarHBondContact O-N 2.91Å
295	R	88.3	Confident	77	Confident	23 Å²	23	74.5 Å²	74.5	9%	0.087	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-40.7	176.2	-73.4	-178.8	168.4	113.3	0.1	112.8	M227 E259 F293 I297 E298 A299 E404 H409	M227-R295 HydrophobicContact SD-CB 4.16Å; E259-R295 WeakPolarHBondContact OE1-CD 3.48Å; E259-R295 VanDerWaalsContact OE1-CG 3.31Å; E259-R295 WeakPolarHBondContact OE1-CG 3.09Å; E259-R295 IonicContact OE1-CZ 3.73Å; E259-R295 VanDerWaalsContact OE1-CZ 3.29Å; E259-R295 IonicContact OE1-NE 3.82Å; E259-R295 PolarHBondContact OE1-NE 3.38Å; E259-R295 IonicContact OE1-NH1 2.74Å; E259-R295 PolarHBondContact OE1-NH1 3.26Å; E259-R295 IonicContact OE2-CZ 3.7Å; E259-R295 IonicContact OE2-NH1 2.8Å; E259-R295 PolarHBondContact OE2-NH1 3.13Å; F293-R295 VanDerWaalsContact C-N 3.33Å; F293-R295 PolarHBondContact O-N 2.99Å; R295-I297 VanDerWaalsContact C-N 3.34Å; R295-I297 PolarHBondContact O-N 3.22Å; R295-E298 PolarHBondContact O-N 3.11Å; R295-A299 WeakPolarHBondContact O-CB 3.37Å; R295-A299 PolarHBondContact O-N 2.94Å; R295-E404 IonicContact CZ-OE1 3.2Å; R295-E404 IonicContact NH2-OE1 3.74Å; R295-E404 PolarHBondContact NH2-OE1 3.48Å; R295-H409 PolarHBondContact NH2-NE2 3.07Å
296	A	90.8	Very high	79.8	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-36.4	176.7	0	0	0	0	0	112.4	W226 M227 L247 F293 T294 A299 C300	W226-A296 HydrophobicContact CB-CB 4Å; M227-A296 HydrophobicContact CG-CB 4.41Å; M227-A296 WeakPolarHBondContact SD-CA 3.33Å; M227-A296 HydrophobicContact SD-CB 4.22Å; L247-A296 HydrophobicContact CD1-CB 4.05Å; F293-A296 PolarHBondContact O-N 3.48Å; F293-A296 VanDerWaalsContact O-N 3.11Å; T294-A296 PolarHBondContact O-N 3.34Å; A296-A299 PolarHBondContact O-N 3.29Å; A296-C300 PolarHBondContact O-N 2.92Å
297	I	91.3	Very high	82.5	Confident	24 Å²	24	70.6 Å²	70.6	12%	0.123	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-46.2	173.7	-65.8	167.7	0	0	0	110.6	L244 L247 R248 N251 F293 T294 R295 A299 C300	L244-I297 HydrophobicContact CD1-CG2 3.94Å; L247-I297 HydrophobicContact CB-CD1 4.29Å; L247-I297 HydrophobicContact CB-CG1 3.75Å; R248-I297 HydrophobicContact CG-CD1 4.33Å; R248-I297 HydrophobicContact CG-CG2 4.46Å; N251-I297 HydrophobicContact CB-CD1 3.69Å; F293-I297 HydrophobicContact CB-CD1 4.45Å; F293-I297 WeakPolarHBondContact O-CG1 3.22Å; F293-I297 PolarHBondContact O-N 3.46Å; T294-I297 PolarHBondContact O-N 3.2Å; R295-I297 VanDerWaalsContact C-N 3.34Å; R295-I297 PolarHBondContact O-N 3.22Å; I297-A299 VanDerWaalsContact C-N 3.27Å; I297-A299 PolarHBondContact O-N 3.17Å; I297-C300 WeakPolarHBondContact O-CB 3.25Å; I297-C300 PolarHBondContact O-N 2.88Å
298	E	89.8	Confident	84.7	Confident	93 Å²	93	61.1 Å²	61.1	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-37	175.8	-69.4	168.9	170.2	0	0	111.2	R290 T294 R295 C300 D301	R290-E298 IonicContact CZ-OE1 2.8Å; R290-E298 IonicContact CZ-OE2 3.76Å; R290-E298 IonicContact NH1-OE1 3.97Å; R290-E298 PolarHBondContact NH1-OE1 3.08Å; R290-E298 IonicContact NH1-OE2 2.94Å; R290-E298 IonicContact NH2-OE1 2.61Å; R290-E298 IonicContact NH2-OE2 3.13Å; R290-E298 PolarHBondContact NH2-OE2 2.82Å; T294-E298 HydrophobicContact CG2-CG 4.49Å; T294-E298 WeakPolarHBondContact O-CG 3.42Å; T294-E298 PolarHBondContact O-N 2.91Å; R295-E298 PolarHBondContact O-N 3.11Å; E298-C300 VanDerWaalsContact C-N 3.25Å; E298-C300 PolarHBondContact O-N 3.11Å; E298-D301 PolarHBondContact O-N 3.18Å
299	A	89.8	Confident	86.6	Confident	2 Å²	2	56 Å²	56	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-18.9	177.8	0	0	0	0	0	114.2	M227 V230 L231 R295 A296 I297 D301 L302	M227-A299 HydrophobicContact CE-CB 3.73Å; M227-A299 HydrophobicContact SD-CB 3.48Å; M227-A299 WeakPolarHBondContact SD-CB 3.35Å; V230-A299 HydrophobicContact CG1-CB 4.24Å; L231-A299 HydrophobicContact CD2-CB 4.12Å; L231-A299 HydrophobicContact CG-CB 4.22Å; R295-A299 WeakPolarHBondContact O-CB 3.37Å; R295-A299 PolarHBondContact O-N 2.94Å; A296-A299 PolarHBondContact O-N 3.29Å; I297-A299 VanDerWaalsContact C-N 3.27Å; I297-A299 PolarHBondContact O-N 3.17Å; A299-D301 PolarHBondContact O-N 2.79Å; A299-L302 HydrophobicContact CB-CD1 4.18Å; A299-L302 WeakPolarHBondContact O-CB 3.5Å; A299-L302 PolarHBondContact O-N 3.37Å; A299-L302 VanDerWaalsContact O-N 3.1Å
300	C	88.1	Confident	87.7	Confident	11 Å²	11	53.8 Å²	53.8	7%	0.074	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.5	174.6	-75.7	0	0	0	0	112.5	V230 K240 L244 A296 I297 E298 L302	V230-C300 HydrophobicContact CG1-CB 4.1Å; V230-C300 WeakPolarHBondContact CG1-SG 3.41Å; K240-C300 WeakPolarHBondContact CE-O 3.28Å; K240-C300 PolarHBondContact NZ-O 2.98Å; L244-C300 HydrophobicContact CB-CB 4.45Å; L244-C300 HydrophobicContact CD1-CB 3.85Å; L244-C300 HydrophobicContact CD2-CB 4.31Å; L244-C300 HydrophobicContact CG-CB 4.42Å; A296-C300 PolarHBondContact O-N 2.92Å; I297-C300 WeakPolarHBondContact O-CB 3.25Å; I297-C300 PolarHBondContact O-N 2.88Å; E298-C300 VanDerWaalsContact C-N 3.25Å; E298-C300 PolarHBondContact O-N 3.11Å; C300-L302 VanDerWaalsContact C-N 3.29Å
301	D	86.6	Confident	87.8	Confident	122 Å²	122	51.6 Å²	51.6	65%	0.652	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.4	179.3	-61.7	-31.8	0	0	0	112.5	E298 A299	E298-D301 PolarHBondContact O-N 3.18Å; A299-D301 PolarHBondContact O-N 2.79Å
302	L	88	Confident	87.7	Confident	42 Å²	42	51.1 Å²	51.1	22%	0.22	24%	0.238	C	C	.	.			trans	-80.4	137.4	179.8	-60	175.3	0	0	0	111.7	L231 K240 A299 C300 T346	L231-L302 HydrophobicContact CD2-CB 4.01Å; L231-L302 HydrophobicContact CD2-CD1 4.03Å; K240-L302 PolarHBondContact NZ-O 3.44Å; A299-L302 HydrophobicContact CB-CD1 4.18Å; A299-L302 WeakPolarHBondContact O-CB 3.5Å; A299-L302 PolarHBondContact O-N 3.37Å; A299-L302 VanDerWaalsContact O-N 3.1Å; C300-L302 VanDerWaalsContact C-N 3.29Å; L302-T346 HydrophobicContact CD1-CG2 3.32Å; L302-T346 HydrophobicContact CD2-CG2 4.43Å
303	H	84.8	Confident	87.7	Confident	103 Å²	103	52.5 Å²	52.5	48%	0.477	24%	0.244	S	C	.	.			trans	-120.2	162.5	178.3	61.1	65.4	0	0	0	113	Q305 R350	H303-Q305 PolarHBondContact ND1-N 3.27Å; H303-R350 PolarHBondContact O-NH1 3.21Å; H303-R350 PolarHBondContact O-NH2 2.93Å
304	W	88.8	Confident	87.2	Confident	32 Å²	32	56.4 Å²	56.4	12%	0.121	28%	0.276	C	S	.	.	S	Bend	trans	-103.4	11.9	175.7	-64.1	95.4	0	0	0	113	L231 P233 D306 L309 Q310 I313 R350 L354	L231-W304 HydrophobicContact CB-CZ2 4.5Å; L231-W304 WeakPolarHBondContact O-CZ2 3.26Å; L231-W304 PolarHBondContact O-NE1 3.03Å; P233-W304 HydrophobicContact CB-CD2 4.16Å; P233-W304 HydrophobicContact CB-CG 4.23Å; P233-W304 HydrophobicContact CG-CD2 4.28Å; P233-W304 HydrophobicContact CG-CH2 4.33Å; P233-W304 HydrophobicContact CG-CZ2 3.91Å; W304-D306 VanDerWaalsContact C-N 3.34Å; W304-L309 HydrophobicContact CE3-CD2 3.72Å; W304-L309 HydrophobicContact CE3-CG 4.29Å; W304-L309 HydrophobicContact CZ3-CD2 4.19Å; W304-Q310 VanDerWaalsContact O-CG 3.28Å; W304-Q310 WeakPolarHBondContact O-CG 3.28Å; W304-Q310 PolarHBondContact O-NE2 3.33Å; W304-Q310 VanDerWaalsContact O-NE2 3.07Å; W304-I313 HydrophobicContact CE3-CD1 3.73Å; W304-I313 HydrophobicContact CZ3-CD1 3.62Å; W304-R350 HydrophobicContact CH2-CB 3.54Å; W304-R350 HydrophobicContact CH2-CG 3.85Å; W304-R350 HydrophobicContact CZ2-CB 4.15Å; W304-R350 HydrophobicContact CZ2-CG 4.09Å; W304-R350 HydrophobicContact CZ3-CB 4.2Å; W304-R350 HydrophobicContact CZ3-CG 4.42Å; W304-L354 HydrophobicContact CH2-CD1 3.9Å; W304-L354 HydrophobicContact CH2-CD2 4.19Å; W304-L354 HydrophobicContact CH2-CG 3.74Å; W304-L354 HydrophobicContact CZ3-CD1 3.94Å; W304-L354 HydrophobicContact CZ3-CD2 4.37Å; W304-L354 HydrophobicContact CZ3-CG 4.17Å
305	Q	84.8	Confident	86.3	Confident	151 Å²	151	57 Å²	57	71%	0.706	28%	0.282	S	S	*	.			trans	-83.5	-4.2	-174.8	-64.5	177.8	5.6	0	0	114.6	H303 R307	H303-Q305 PolarHBondContact ND1-N 3.27Å; Q305-R307 PolarHBondContact O-N 2.94Å
306	D	86.3	Confident	85.1	Confident	64 Å²	64	57.8 Å²	57.8	34%	0.342	29%	0.288	S	S	.	.			trans	-63.6	125.8	178.7	-176.1	-52.9	0	0	0	109.9	W304 H308 L309 Q310 W340	W304-D306 VanDerWaalsContact C-N 3.34Å; D306-H308 VanDerWaalsContact C-N 3.3Å; D306-H308 PolarHBondContact O-N 3.27Å; D306-H308 WeakPolarHBondContact OD1-CA 3.36Å; D306-H308 WeakPolarHBondContact OD1-CB 3.33Å; D306-H308 PolarHBondContact OD1-N 3.29Å; D306-L309 HydrophobicContact CB-CB 3.84Å; D306-L309 PolarHBondContact O-N 3.08Å; D306-L309 PolarHBondContact OD1-N 2.93Å; D306-Q310 WeakPolarHBondContact O-CG 3.47Å; D306-Q310 PolarHBondContact O-N 3.46Å; D306-W340 HydrophobicContact CB-CH2 4.2Å
307	R	84.3	Confident	83.6	Confident	221 Å²	221	63.1 Å²	63.1	83%	0.834	32%	0.316	S	S	*	.	H	α-helix	trans	-60.6	-38.4	-175.9	-69.9	-175.1	175.4	176.5	-1.3	112.4	Q305 H311	Q305-R307 PolarHBondContact O-N 2.94Å; R307-H311 WeakPolarHBondContact O-CB 3.27Å; R307-H311 PolarHBondContact O-N 3.48Å
308	H	87.1	Confident	82.2	Confident	20 Å²	20	62.5 Å²	62.5	9%	0.093	31%	0.312	C	S	.	.	H	α-helix	trans	-71.9	-42	178.6	-175.6	56.7	0	0	0	111	D306 Q310 H311 I312 L331 F332 L339 W340	D306-H308 VanDerWaalsContact C-N 3.3Å; D306-H308 PolarHBondContact O-N 3.27Å; D306-H308 WeakPolarHBondContact OD1-CA 3.36Å; D306-H308 WeakPolarHBondContact OD1-CB 3.33Å; D306-H308 PolarHBondContact OD1-N 3.29Å; H308-Q310 PolarHBondContact O-N 2.88Å; H308-H311 WeakPolarHBondContact O-CB 3.36Å; H308-H311 PolarHBondContact O-N 3.14Å; H308-I312 WeakPolarHBondContact O-CG1 3.45Å; H308-I312 PolarHBondContact O-N 3.3Å; H308-L331 HydrophobicContact CB-CD1 4.41Å; H308-F332 AromaticContact CE1-CZ 3.92Å; H308-L339 PolarHBondContact NE2-O 2.91Å; H308-W340 AromaticContact CD2-CE3 3.95Å
309	L	87.8	Confident	80.2	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-45.1	174.6	-175	57.5	0	0	0	111.9	W304 D306 H311 I312 I313 W340 L366	W304-L309 HydrophobicContact CE3-CD2 3.72Å; W304-L309 HydrophobicContact CE3-CG 4.29Å; W304-L309 HydrophobicContact CZ3-CD2 4.19Å; D306-L309 HydrophobicContact CB-CB 3.84Å; D306-L309 PolarHBondContact O-N 3.08Å; D306-L309 PolarHBondContact OD1-N 2.93Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 2.8Å; L309-I312 PolarHBondContact O-N 3.36Å; L309-I313 HydrophobicContact CD1-CD1 3.92Å; L309-I313 HydrophobicContact CD1-CG1 4.46Å; L309-I313 HydrophobicContact CG-CD1 3.85Å; L309-I313 WeakPolarHBondContact O-CD1 3.46Å; L309-I313 VanDerWaalsContact O-CG1 3.28Å; L309-I313 WeakPolarHBondContact O-CG1 3.3Å; L309-I313 PolarHBondContact O-N 2.93Å; L309-W340 HydrophobicContact CB-CE3 4.36Å; L309-W340 HydrophobicContact CB-CH2 3.67Å; L309-W340 HydrophobicContact CB-CZ2 4.33Å; L309-W340 HydrophobicContact CB-CZ3 3.66Å; L309-W340 HydrophobicContact CD1-CD2 4.19Å; L309-W340 HydrophobicContact CD1-CE3 4.25Å; L309-W340 HydrophobicContact CD1-CH2 4.22Å; L309-W340 HydrophobicContact CD1-CZ2 4.09Å; L309-W340 HydrophobicContact CD1-CZ3 4.28Å; L309-W340 HydrophobicContact CD2-CH2 4.08Å; L309-W340 HydrophobicContact CD2-CZ2 4.02Å; L309-W340 HydrophobicContact CG-CH2 4.2Å; L309-W340 HydrophobicContact CG-CZ2 4.38Å; L309-W340 HydrophobicContact CG-CZ3 4.44Å; L309-L366 HydrophobicContact CD1-CD1 3.66Å; L309-L366 HydrophobicContact CD1-CD2 4.32Å
310	Q	86.8	Confident	78.1	Confident	99 Å²	99	68.4 Å²	68.4	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-38.6	175.8	-72.6	-178.7	-10.4	0	0	111.5	W304 D306 H308 I313 A314	W304-Q310 VanDerWaalsContact O-CG 3.28Å; W304-Q310 WeakPolarHBondContact O-CG 3.28Å; W304-Q310 PolarHBondContact O-NE2 3.33Å; W304-Q310 VanDerWaalsContact O-NE2 3.07Å; D306-Q310 WeakPolarHBondContact O-CG 3.47Å; D306-Q310 PolarHBondContact O-N 3.46Å; H308-Q310 PolarHBondContact O-N 2.88Å; Q310-I313 PolarHBondContact O-N 3.4Å; Q310-A314 WeakPolarHBondContact O-CB 3Å; Q310-A314 PolarHBondContact O-N 3.08Å
311	H	83.1	Confident	76.1	Confident	43 Å²	43	74.3 Å²	74.3	20%	0.199	38%	0.378	C	S	.	.	H	α-helix	trans	-64	-45.9	176.3	-171.8	66	0	0	0	112.3	R307 H308 L309 I313 A314 S315 Y318	R307-H311 WeakPolarHBondContact O-CB 3.27Å; R307-H311 PolarHBondContact O-N 3.48Å; H308-H311 WeakPolarHBondContact O-CB 3.36Å; H308-H311 PolarHBondContact O-N 3.14Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 2.8Å; H311-I313 VanDerWaalsContact C-N 3.26Å; H311-I313 PolarHBondContact O-N 3.11Å; H311-A314 PolarHBondContact O-N 3.17Å; H311-S315 PolarHBondContact O-N 3.19Å; H311-S315 VanDerWaalsContact O-N 3.16Å; H311-Y318 AromaticContact CD2-CD1 3.82Å; H311-Y318 AromaticContact CD2-CE1 3.91Å; H311-Y318 AromaticContact NE2-CD1 3.65Å
312	I	85.4	Confident	74.2	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-57.7	-41.3	175.9	-67.9	168.6	0	0	0	111.2	H308 L309 Y318 P338 W340 R365 L366 A369	H308-I312 WeakPolarHBondContact O-CG1 3.45Å; H308-I312 PolarHBondContact O-N 3.3Å; L309-I312 PolarHBondContact O-N 3.36Å; I312-Y318 WeakPolarHBondContact CA-OH 3.26Å; I312-Y318 PolarHBondContact O-OH 3.31Å; I312-P338 HydrophobicContact CD1-CB 4.13Å; I312-P338 HydrophobicContact CG1-CB 3.79Å; I312-W340 HydrophobicContact CD1-CB 4.37Å; I312-W340 HydrophobicContact CD1-CE3 4.13Å; I312-R365 HydrophobicContact CG2-CB 4.36Å; I312-R365 WeakPolarHBondContact O-CB 3.38Å; I312-R365 VanDerWaalsContact O-CD 3.24Å; I312-R365 WeakPolarHBondContact O-CD 3.36Å; I312-L366 HydrophobicContact CG2-CD1 4.37Å; I312-A369 HydrophobicContact CD1-CB 4.09Å; I312-A369 HydrophobicContact CG2-CB 4.08Å
313	I	87	Confident	72	Confident	31 Å²	31	79.8 Å²	79.8	16%	0.159	40%	0.399	C	S	.	.	H	α-helix	trans	-75.1	-39.1	-176.7	-70	167.5	0	0	0	111.4	W304 L309 Q310 H311 L354 E362 R365	W304-I313 HydrophobicContact CE3-CD1 3.73Å; W304-I313 HydrophobicContact CZ3-CD1 3.62Å; L309-I313 HydrophobicContact CD1-CD1 3.92Å; L309-I313 HydrophobicContact CD1-CG1 4.46Å; L309-I313 HydrophobicContact CG-CD1 3.85Å; L309-I313 WeakPolarHBondContact O-CD1 3.46Å; L309-I313 VanDerWaalsContact O-CG1 3.28Å; L309-I313 WeakPolarHBondContact O-CG1 3.3Å; L309-I313 PolarHBondContact O-N 2.93Å; Q310-I313 PolarHBondContact O-N 3.4Å; H311-I313 VanDerWaalsContact C-N 3.26Å; H311-I313 PolarHBondContact O-N 3.11Å; I313-L354 HydrophobicContact CD1-CD1 4.32Å; I313-L354 HydrophobicContact CG1-CD1 4.47Å; I313-E362 HydrophobicContact CG2-CB 3.83Å; I313-E362 HydrophobicContact CG2-CG 3.62Å; I313-R365 PolarHBondContact O-NH1 3.13Å
314	A	82.4	Confident	70.1	Confident	82 Å²	82	82.5 Å²	82.5	68%	0.678	41%	0.412	S	S	*	.	H	α-helix	trans	-86.1	-30.7	-169	0	0	0	0	0	115.4	Q310 H311	Q310-A314 WeakPolarHBondContact O-CB 3Å; Q310-A314 PolarHBondContact O-N 3.08Å; H311-A314 PolarHBondContact O-N 3.17Å
315	S	72	Confident	67.8	Low	34 Å²	34	86.9 Å²	86.9	24%	0.238	44%	0.438	C	S	.	.			trans	-125.4	143.2	-169.7	-172.8	0	0	0	0	114	H311 L317 Y318	H311-S315 PolarHBondContact O-N 3.19Å; H311-S315 VanDerWaalsContact O-N 3.16Å; S315-L317 PolarHBondContact OG-N 3.33Å; S315-L317 VanDerWaalsContact OG-N 3.08Å; S315-L317 PolarHBondContact OG-O 3.44Å; S315-Y318 PolarHBondContact O-OH 2.98Å
316	D	63.1	Low	65.9	Low	39 Å²	39	88.3 Å²	88.3	21%	0.209	45%	0.45	C	S	.	.	S	Bend	trans	-89.8	-11.4	168.7	-67.2	-44.3	0	0	0	112.5	R365 P454	D316-R365 VanDerWaalsContact CG-NH2 3.3Å; D316-R365 IonicContact OD1-CZ 3.07Å; D316-R365 VanDerWaalsContact OD1-CZ 3.26Å; D316-R365 IonicContact OD1-NE 3.55Å; D316-R365 PolarHBondContact OD1-NE 3.4Å; D316-R365 IonicContact OD1-NH2 3.95Å; D316-R365 PolarHBondContact OD1-NH2 3.42Å; D316-R365 IonicContact OD2-CZ 3.21Å; D316-R365 IonicContact OD2-NH2 3.78Å; D316-R365 PolarHBondContact OD2-NH2 3.18Å; D316-P454 HydrophobicContact CB-CB 4.4Å
317	L	58.7	Low	64	Low	112 Å²	112	93.9 Å²	93.9	59%	0.586	47%	0.474	S	S	*	.			trans	-108.7	100.9	-174.3	-67.3	167	0	0	0	110.8	S315	S315-L317 PolarHBondContact OG-N 3.33Å; S315-L317 VanDerWaalsContact OG-N 3.08Å; S315-L317 PolarHBondContact OG-O 3.44Å
318	Y	60.8	Low	62.3	Low	11 Å²	11	86.2 Å²	86.2	4%	0.043	45%	0.448	C	S	.	.			trans	-93.4	-10.5	177.3	-59.2	-82.7	0	0	0	113.2	H311 I312 S315 N320 F332 P338 L458	H311-Y318 AromaticContact CD2-CD1 3.82Å; H311-Y318 AromaticContact CD2-CE1 3.91Å; H311-Y318 AromaticContact NE2-CD1 3.65Å; I312-Y318 WeakPolarHBondContact CA-OH 3.26Å; I312-Y318 PolarHBondContact O-OH 3.31Å; S315-Y318 PolarHBondContact O-OH 2.98Å; Y318-N320 VanDerWaalsContact C-N 3.29Å; Y318-N320 PolarHBondContact O-N 3.31Å; Y318-F332 AromaticContact CD1-CE1 3.85Å; Y318-F332 HydrophobicContact CD1-CE1 3.85Å; Y318-F332 HydrophobicContact CG-CE1 4.43Å; Y318-P338 HydrophobicContact CD1-CB 4.23Å; Y318-P338 HydrophobicContact CD1-CG 4.15Å; Y318-P338 HydrophobicContact CD2-CG 4.49Å; Y318-P338 HydrophobicContact CE1-CB 3.85Å; Y318-P338 HydrophobicContact CE1-CG 3.67Å; Y318-P338 HydrophobicContact CE2-CG 4.12Å; Y318-L458 HydrophobicContact CD2-CD2 3.86Å; Y318-L458 HydrophobicContact CE2-CD2 3.37Å; Y318-L458 HydrophobicContact CE2-CG 4.46Å
319	A	48.7	Very low	60.7	Low	74 Å²	74	88.2 Å²	88.2	61%	0.612	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.2	-169.1	0	0	0	0	0	115.5
320	N	45.2	Very low	59.7	Low	145 Å²	145	91.1 Å²	91.1	78%	0.775	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-6.9	-173.5	-76	-6.9	0	0	0	114.9	Y318	Y318-N320 VanDerWaalsContact C-N 3.29Å; Y318-N320 PolarHBondContact O-N 3.31Å
321	Y	47.2	Very low	59.3	Low	134 Å²	134	89 Å²	89	53%	0.525	49%	0.486	S	S	.	.	S	Bend	trans	-91.9	-18.4	-177.3	-122.5	-92.9	0	0	0	113.7	Y323 H324	Y321-Y323 PolarHBondContact O-N 3.15Å; Y321-H324 PolarHBondContact O-N 3.46Å
322	C	46	Very low	59.2	Low	80 Å²	80	88 Å²	88	54%	0.541	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	0.8	-175.6	-69.1	0	0	0	0	115.4
323	Y	42.5	Very low	58.8	Low	199 Å²	199	89.1 Å²	89.1	78%	0.78	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-4.6	-177	-84.9	-82.6	0	0	0	115	Y321	Y321-Y323 PolarHBondContact O-N 3.15Å
324	H	44.4	Very low	58	Low	160 Å²	160	93.8 Å²	93.8	74%	0.741	52%	0.522	S	S	*	.	S	Bend	trans	-140	62.2	-175.3	-73	-62.9	0	0	0	114.1	Y321	Y321-H324 PolarHBondContact O-N 3.46Å
325	D	41.4	Very low	57.4	Low	125 Å²	125	95.5 Å²	95.5	67%	0.668	51%	0.511	S	S	*	.			trans	167.8	132.1	131.2	-113.9	-32.6	0	0	0	111.5	Q327 E328	D325-Q327 PolarHBondContact O-N 2.99Å; D325-E328 HydrophobicContact CB-CG 4.46Å; D325-E328 PolarHBondContact O-N 2.83Å
326	N	43.3	Very low	57.3	Low	180 Å²	180	95 Å²	95	96%	0.963	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	6.1	-179.8	-89.1	-23.7	0	0	0	114.5
327	Q	46.3	Very low	58	Low	182 Å²	182	95.1 Å²	95.1	85%	0.85	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-13.3	175.7	-72.2	-175.6	11.2	0	0	114	D325 G329	D325-Q327 PolarHBondContact O-N 2.99Å; Q327-G329 PolarHBondContact O-N 2.89Å
328	E	49.7	Very low	59.3	Low	59 Å²	59	89.9 Å²	89.9	28%	0.276	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-86.2	1.4	-171.6	-65	-170.5	158.8	0	0	115.4	D325 S330 L331	D325-E328 HydrophobicContact CB-CG 4.46Å; D325-E328 PolarHBondContact O-N 2.83Å; E328-S330 PolarHBondContact O-N 2.99Å; E328-L331 PolarHBondContact O-N 3.5Å
329	G	53.7	Low	60.5	Low	63 Å²	63	89.3 Å²	89.3	65%	0.649	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-62.2	-5.4	-178.2	0	0	0	0	0	116.4	Q327	Q327-G329 PolarHBondContact O-N 2.89Å
330	S	65.9	Low	62.6	Low	61 Å²	61	86.9 Å²	86.9	43%	0.427	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-89.8	-24.5	173.7	-169.2	0	0	0	0	113.5	E328 H341 R376	E328-S330 PolarHBondContact O-N 2.99Å; S330-H341 PolarHBondContact O-NE2 3.18Å; S330-R376 PolarHBondContact O-NH1 3.19Å
331	L	78.5	Confident	64.5	Low	55 Å²	55	83.9 Å²	83.9	29%	0.288	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-17.1	-172.1	-64.4	178.6	0	0	0	113.7	H308 E328 L339	H308-L331 HydrophobicContact CB-CD1 4.41Å; E328-L331 PolarHBondContact O-N 3.5Å; L331-L339 WeakPolarHBondContact O-CB 3.39Å; L331-L339 PolarHBondContact O-N 3.24Å
332	F	81.4	Confident	66.5	Low	21 Å²	21	79.7 Å²	79.7	9%	0.092	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-121	155.2	177	-62	-88.6	0	0	0	111.1	H308 Y318 G336 W337 P338 L339 R376	H308-F332 AromaticContact CE1-CZ 3.92Å; Y318-F332 AromaticContact CD1-CE1 3.85Å; Y318-F332 HydrophobicContact CD1-CE1 3.85Å; Y318-F332 HydrophobicContact CG-CE1 4.43Å; F332-G336 WeakPolarHBondContact CD1-O 3.41Å; F332-W337 CarbonylContact C-O 3.57Å; F332-W337 WeakPolarHBondContact CA-O 3.25Å; F332-P338 HydrophobicContact CD1-CB 4.37Å; F332-P338 HydrophobicContact CE1-CB 4.13Å; F332-L339 VanDerWaalsContact C-CD1 3.46Å; F332-L339 WeakPolarHBondContact O-CD1 3.43Å; F332-R376 PolarHBondContact O-NH1 3.34Å; F332-R376 VanDerWaalsContact O-NH1 3.08Å
333	D	76.1	Confident	68.7	Low	25 Å²	25	80.4 Å²	80.4	13%	0.134	42%	0.416	C	S	.	.			trans	-80.9	176.3	171.2	85.1	-9.2	0	0	0	111.5	R335 G336 W337 L339	D333-R335 PolarHBondContact O-N 2.86Å; D333-R335 VanDerWaalsContact O-N 3.12Å; D333-R335 VanDerWaalsContact OD1-CA 3.29Å; D333-R335 WeakPolarHBondContact OD1-CA 3.18Å; D333-R335 WeakPolarHBondContact OD1-CB 3.42Å; D333-R335 PolarHBondContact OD1-N 3.39Å; D333-R335 IonicContact OD2-CZ 3.79Å; D333-R335 IonicContact OD2-NE 3.29Å; D333-R335 PolarHBondContact OD2-NE 3.19Å; D333-R335 VanDerWaalsContact OD2-NE 3.16Å; D333-R335 IonicContact OD2-NH2 3.4Å; D333-R335 PolarHBondContact OD2-NH2 3.46Å; D333-G336 PolarHBondContact O-N 3.49Å; D333-G336 PolarHBondContact OD1-N 2.91Å; D333-W337 PolarHBondContact N-O 3.44Å; D333-W337 WeakPolarHBondContact OD1-CB 3.46Å; D333-W337 PolarHBondContact OD1-N 2.98Å; D333-L339 HydrophobicContact CB-CD1 4.21Å; D333-L339 HydrophobicContact CB-CD2 4.18Å; D333-L339 HydrophobicContact CB-CG 4.33Å
334	S	70.4	Confident	71	Confident	128 Å²	128	71.6 Å²	71.6	90%	0.895	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.2	179.6	55	0	0	0	0	114.3
335	R	70.4	Confident	73.3	Confident	119 Å²	119	64 Å²	64	45%	0.449	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.2	175.3	-58.2	178.4	-69.9	-175.6	3.7	111.6	D333 E463	D333-R335 PolarHBondContact O-N 2.86Å; D333-R335 VanDerWaalsContact O-N 3.12Å; D333-R335 VanDerWaalsContact OD1-CA 3.29Å; D333-R335 WeakPolarHBondContact OD1-CA 3.18Å; D333-R335 WeakPolarHBondContact OD1-CB 3.42Å; D333-R335 PolarHBondContact OD1-N 3.39Å; D333-R335 IonicContact OD2-CZ 3.79Å; D333-R335 IonicContact OD2-NE 3.29Å; D333-R335 PolarHBondContact OD2-NE 3.19Å; D333-R335 VanDerWaalsContact OD2-NE 3.16Å; D333-R335 IonicContact OD2-NH2 3.4Å; D333-R335 PolarHBondContact OD2-NH2 3.46Å; R335-E463 IonicContact NH1-OE1 3.02Å; R335-E463 PolarHBondContact NH1-OE1 3.16Å
336	G	70.5	Confident	75.7	Confident	23 Å²	23	59.5 Å²	59.5	24%	0.237	33%	0.325	C	S	.	.	S	Bend	trans	82.7	13.2	-177.2	0	0	0	0	0	114.5	F332 D333	F332-G336 WeakPolarHBondContact CD1-O 3.41Å; D333-G336 PolarHBondContact O-N 3.49Å; D333-G336 PolarHBondContact OD1-N 2.91Å
337	W	78.1	Confident	78.1	Confident	41 Å²	41	51 Å²	51	16%	0.155	28%	0.279	C	S	.	.			trans	-80.3	143.2	176.9	-63.6	114.9	0	0	0	112	F332 D333 R457 L458	F332-W337 CarbonylContact C-O 3.57Å; F332-W337 WeakPolarHBondContact CA-O 3.25Å; D333-W337 PolarHBondContact N-O 3.44Å; D333-W337 WeakPolarHBondContact OD1-CB 3.46Å; D333-W337 PolarHBondContact OD1-N 2.98Å; W337-R457 WeakPolarHBondContact CH2-O 3.42Å; W337-R457 VanDerWaalsContact CZ3-O 3.23Å; W337-R457 WeakPolarHBondContact CZ3-O 3.16Å; W337-L458 HydrophobicContact CE3-CD2 3.68Å; W337-L458 HydrophobicContact CZ3-CB 4.26Å; W337-L458 HydrophobicContact CZ3-CD2 3.53Å; W337-L458 HydrophobicContact CZ3-CG 4.24Å
338	P	84.7	Confident	80.4	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.013	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-65	144.1	177.9	29.5	-37.3	0	0	0	111.7	I312 Y318 F332 A369	I312-P338 HydrophobicContact CD1-CB 4.13Å; I312-P338 HydrophobicContact CG1-CB 3.79Å; Y318-P338 HydrophobicContact CD1-CB 4.23Å; Y318-P338 HydrophobicContact CD1-CG 4.15Å; Y318-P338 HydrophobicContact CD2-CG 4.49Å; Y318-P338 HydrophobicContact CE1-CB 3.85Å; Y318-P338 HydrophobicContact CE1-CG 3.67Å; Y318-P338 HydrophobicContact CE2-CG 4.12Å; F332-P338 HydrophobicContact CD1-CB 4.37Å; F332-P338 HydrophobicContact CE1-CB 4.13Å; P338-A369 HydrophobicContact CB-CB 4.31Å; P338-A369 HydrophobicContact CG-CB 4.23Å; P338-A369 WeakPolarHBondContact O-CA 3.32Å
339	L	87.2	Confident	82.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.			trans	-121.8	136.1	172.7	-58.3	171.2	0	0	0	109.2	H308 L331 F332 D333 N372 R376	H308-L339 PolarHBondContact NE2-O 2.91Å; L331-L339 WeakPolarHBondContact O-CB 3.39Å; L331-L339 PolarHBondContact O-N 3.24Å; F332-L339 VanDerWaalsContact C-CD1 3.46Å; F332-L339 WeakPolarHBondContact O-CD1 3.43Å; D333-L339 HydrophobicContact CB-CD1 4.21Å; D333-L339 HydrophobicContact CB-CD2 4.18Å; D333-L339 HydrophobicContact CB-CG 4.33Å; L339-N372 VanDerWaalsContact CD2-C 3.43Å; L339-N372 HydrophobicContact CD2-CB 3.61Å; L339-R376 VanDerWaalsContact CD1-CD 3.42Å
340	W	91.4	Very high	84.4	Confident	22 Å²	22	37.2 Å²	37.2	8%	0.083	20%	0.199	C	C	.	.			trans	-111.8	111.6	173.9	-173.7	-115.5	0	0	0	110.4	D306 H308 L309 I312 E342 L366 A369 V370 T373	D306-W340 HydrophobicContact CB-CH2 4.2Å; H308-W340 AromaticContact CD2-CE3 3.95Å; L309-W340 HydrophobicContact CB-CE3 4.36Å; L309-W340 HydrophobicContact CB-CH2 3.67Å; L309-W340 HydrophobicContact CB-CZ2 4.33Å; L309-W340 HydrophobicContact CB-CZ3 3.66Å; L309-W340 HydrophobicContact CD1-CD2 4.19Å; L309-W340 HydrophobicContact CD1-CE3 4.25Å; L309-W340 HydrophobicContact CD1-CH2 4.22Å; L309-W340 HydrophobicContact CD1-CZ2 4.09Å; L309-W340 HydrophobicContact CD1-CZ3 4.28Å; L309-W340 HydrophobicContact CD2-CH2 4.08Å; L309-W340 HydrophobicContact CD2-CZ2 4.02Å; L309-W340 HydrophobicContact CG-CH2 4.2Å; L309-W340 HydrophobicContact CG-CZ2 4.38Å; L309-W340 HydrophobicContact CG-CZ3 4.44Å; I312-W340 HydrophobicContact CD1-CB 4.37Å; I312-W340 HydrophobicContact CD1-CE3 4.13Å; W340-E342 HydrophobicContact CZ2-CB 4.31Å; W340-E342 VanDerWaalsContact NE1-CB 3.27Å; W340-E342 PolarHBondContact NE1-OE2 3.26Å; W340-E342 PolarHBondContact O-N 3.13Å; W340-L366 HydrophobicContact CB-CD1 4.35Å; W340-L366 HydrophobicContact CG-CD1 4.05Å; W340-A369 HydrophobicContact CB-CB 4.26Å; W340-V370 HydrophobicContact CB-CG2 4.35Å; W340-T373 PolarHBondContact N-OG1 3.12Å; W340-T373 WeakPolarHBondContact O-CB 3.37Å; W340-T373 WeakPolarHBondContact O-CG2 3.38Å; W340-T373 PolarHBondContact O-OG1 2.93Å
341	H	85.8	Confident	85.7	Confident	83 Å²	83	34.3 Å²	34.3	38%	0.384	18%	0.178	S	C	.	.			trans	-98.7	75	-176.6	-58.7	-70.2	0	0	0	110.5	S330	S330-H341 PolarHBondContact O-NE2 3.18Å
342	E	89.9	Confident	86.4	Confident	45 Å²	45	32.4 Å²	32.4	21%	0.21	17%	0.169	C	C	.	.	S	Bend	trans	-125.9	164.7	172.4	-171.5	176.4	-139.4	0	0	108.7	W340 V344 T346 A347 R350	W340-E342 HydrophobicContact CZ2-CB 4.31Å; W340-E342 VanDerWaalsContact NE1-CB 3.27Å; W340-E342 PolarHBondContact NE1-OE2 3.26Å; W340-E342 PolarHBondContact O-N 3.13Å; E342-V344 PolarHBondContact O-N 3.39Å; E342-T346 HydrophobicContact CG-CG2 4.21Å; E342-A347 HydrophobicContact CB-CB 4.27Å; E342-A347 WeakPolarHBondContact OE2-CA 3.36Å; E342-R350 IonicContact OE1-CZ 3.39Å; E342-R350 IonicContact OE1-NE 3.64Å; E342-R350 PolarHBondContact OE1-NE 2.94Å; E342-R350 IonicContact OE1-NH2 3.44Å; E342-R350 PolarHBondContact OE1-NH2 3.19Å; E342-R350 VanDerWaalsContact OE2-CD 3.32Å; E342-R350 WeakPolarHBondContact OE2-CD 3.35Å; E342-R350 IonicContact OE2-NE 2.81Å; E342-R350 PolarHBondContact OE2-NE 3.45Å
343	H	90.6	Very high	87	Confident	95 Å²	95	31.4 Å²	31.4	44%	0.44	16%	0.164	S	C	.	.			trans	-54.7	124.7	172.2	-178.3	-120.5	0	0	0	110.3	P345 T346 A347 E404	H343-P345 VanDerWaalsContact CE1-CD 3.44Å; H343-P345 WeakPolarHBondContact CE1-CD 3.36Å; H343-P345 VanDerWaalsContact CE1-CG 3.46Å; H343-P345 WeakPolarHBondContact CE1-CG 3.36Å; H343-T346 PolarHBondContact ND1-OG1 3.3Å; H343-T346 WeakPolarHBondContact O-CA 3.42Å; H343-T346 VanDerWaalsContact O-CB 3.3Å; H343-T346 WeakPolarHBondContact O-CB 3.45Å; H343-T346 PolarHBondContact O-N 3.44Å; H343-A347 PolarHBondContact O-N 3.03Å; H343-E404 IonicContact CE1-OE2 3.79Å; H343-E404 PolarHBondContact CE1-OE2 2.94Å; H343-E404 IonicContact NE2-OE2 3.38Å; H343-E404 PolarHBondContact NE2-OE2 3.38Å; H343-E404 VanDerWaalsContact NE2-OE2 3.13Å
344	V	92.4	Very high	87.7	Confident	14 Å²	14	30.4 Å²	30.4	9%	0.085	16%	0.159	C	C	.	.	H	α-helix	trans	-54.1	-51	-167.2	172.4	0	0	0	0	112.8	E342 T346 A347 C348 L374 W406 P413	E342-V344 PolarHBondContact O-N 3.39Å; V344-T346 VanDerWaalsContact C-N 3.28Å; V344-T346 PolarHBondContact O-N 2.99Å; V344-A347 PolarHBondContact O-N 3.39Å; V344-C348 PolarHBondContact O-N 3.18Å; V344-C348 PolarHBondContact O-SG 2.83Å; V344-L374 HydrophobicContact CG1-CD2 4.17Å; V344-L374 HydrophobicContact CG2-CD2 3.61Å; V344-W406 HydrophobicContact CB-CZ2 4.4Å; V344-W406 HydrophobicContact CG1-CZ2 4.5Å; V344-W406 HydrophobicContact CG2-CZ2 4.04Å; V344-P413 HydrophobicContact CG1-CB 4.42Å
345	P	92.4	Very high	88.7	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-53	-39.9	172	-28.7	34.3	0	0	0	115.3	H343 A349 L411 P413	H343-P345 VanDerWaalsContact CE1-CD 3.44Å; H343-P345 WeakPolarHBondContact CE1-CD 3.36Å; H343-P345 VanDerWaalsContact CE1-CG 3.46Å; H343-P345 WeakPolarHBondContact CE1-CG 3.36Å; P345-A349 WeakPolarHBondContact O-CB 3.49Å; P345-A349 PolarHBondContact O-N 3.42Å; P345-L411 HydrophobicContact CB-CD1 4.09Å; P345-P413 HydrophobicContact CG-CG 4.38Å
346	T	91.6	Very high	89.7	Confident	30 Å²	30	21.8 Å²	21.8	18%	0.184	11%	0.108	C	C	.	.	H	α-helix	trans	-70	-43.7	-179.9	-53.5	0	0	0	0	111.4	L302 E342 H343 V344 C348 A349 R350	L302-T346 HydrophobicContact CD1-CG2 3.32Å; L302-T346 HydrophobicContact CD2-CG2 4.43Å; E342-T346 HydrophobicContact CG-CG2 4.21Å; H343-T346 PolarHBondContact ND1-OG1 3.3Å; H343-T346 WeakPolarHBondContact O-CA 3.42Å; H343-T346 VanDerWaalsContact O-CB 3.3Å; H343-T346 WeakPolarHBondContact O-CB 3.45Å; H343-T346 PolarHBondContact O-N 3.44Å; V344-T346 VanDerWaalsContact C-N 3.28Å; V344-T346 PolarHBondContact O-N 2.99Å; T346-C348 PolarHBondContact O-N 3.23Å; T346-A349 WeakPolarHBondContact O-CB 3.32Å; T346-A349 PolarHBondContact O-N 2.82Å; T346-R350 PolarHBondContact O-N 3Å; T346-R350 VanDerWaalsContact O-N 3.11Å
347	A	93.4	Very high	90.6	Very high	1 Å²	1	21 Å²	21	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-62.1	-43	175.2	0	0	0	0	0	111.7	E342 H343 V344 A349 R350 V351 V370	E342-A347 HydrophobicContact CB-CB 4.27Å; E342-A347 WeakPolarHBondContact OE2-CA 3.36Å; H343-A347 PolarHBondContact O-N 3.03Å; V344-A347 PolarHBondContact O-N 3.39Å; A347-A349 VanDerWaalsContact C-N 3.32Å; A347-A349 PolarHBondContact O-N 3.28Å; A347-R350 WeakPolarHBondContact O-CB 3.36Å; A347-R350 PolarHBondContact O-N 2.7Å; A347-V351 PolarHBondContact O-N 3.36Å; A347-V351 VanDerWaalsContact O-N 3.14Å; A347-V370 HydrophobicContact CB-CG1 4.48Å; A347-V370 HydrophobicContact CB-CG2 3.7Å
348	C	94.2	Very high	91.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.9	-34.2	175.3	-64.6	0	0	0	0	112.3	V344 T346 R350 V351 D352 P413 L417	V344-C348 PolarHBondContact O-N 3.18Å; V344-C348 PolarHBondContact O-SG 2.83Å; T346-C348 PolarHBondContact O-N 3.23Å; C348-R350 VanDerWaalsContact C-N 3.3Å; C348-R350 PolarHBondContact O-N 2.72Å; C348-V351 WeakPolarHBondContact O-CA 3.48Å; C348-V351 WeakPolarHBondContact O-CB 3.26Å; C348-V351 PolarHBondContact O-N 3.46Å; C348-V351 VanDerWaalsContact O-N 3.13Å; C348-D352 PolarHBondContact O-N 3.46Å; C348-P413 HydrophobicContact CB-CB 3.67Å; C348-P413 VanDerWaalsContact SG-CB 3.54Å; C348-P413 PolarHBondContact SG-O 3.13Å; C348-P413 VanDerWaalsContact SG-O 3.37Å; C348-L417 VanDerWaalsContact SG-CD1 3.59Å; C348-L417 VanDerWaalsContact SG-CG 3.59Å
349	A	93.2	Very high	91.3	Very high	6 Å²	6	21.1 Å²	21.1	5%	0.05	11%	0.105	C	C	.	.	H	α-helix	trans	-64.7	-33.4	173.5	0	0	0	0	0	112.5	M227 L231 P345 T346 A347 D352 A353 L411	M227-A349 HydrophobicContact CE-CB 3.65Å; L231-A349 HydrophobicContact CD1-CB 3.85Å; P345-A349 WeakPolarHBondContact O-CB 3.49Å; P345-A349 PolarHBondContact O-N 3.42Å; T346-A349 WeakPolarHBondContact O-CB 3.32Å; T346-A349 PolarHBondContact O-N 2.82Å; A347-A349 VanDerWaalsContact C-N 3.32Å; A347-A349 PolarHBondContact O-N 3.28Å; A349-D352 PolarHBondContact O-N 3.35Å; A349-A353 VanDerWaalsContact O-CB 3.31Å; A349-A353 WeakPolarHBondContact O-CB 3.38Å; A349-A353 PolarHBondContact O-N 3.29Å; A349-L411 HydrophobicContact CB-CD1 4.18Å
350	R	93.9	Very high	91.3	Very high	9 Å²	9	24.6 Å²	24.6	3%	0.034	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-39.8	169.9	-70.4	179.2	-175	-94.5	9.2	112	L231 H303 W304 E342 T346 A347 C348 A353 L354 L366	L231-R350 HydrophobicContact CD1-CG 4.38Å; H303-R350 PolarHBondContact O-NH1 3.21Å; H303-R350 PolarHBondContact O-NH2 2.93Å; W304-R350 HydrophobicContact CH2-CB 3.54Å; W304-R350 HydrophobicContact CH2-CG 3.85Å; W304-R350 HydrophobicContact CZ2-CB 4.15Å; W304-R350 HydrophobicContact CZ2-CG 4.09Å; W304-R350 HydrophobicContact CZ3-CB 4.2Å; W304-R350 HydrophobicContact CZ3-CG 4.42Å; E342-R350 IonicContact OE1-CZ 3.39Å; E342-R350 IonicContact OE1-NE 3.64Å; E342-R350 PolarHBondContact OE1-NE 2.94Å; E342-R350 IonicContact OE1-NH2 3.44Å; E342-R350 PolarHBondContact OE1-NH2 3.19Å; E342-R350 VanDerWaalsContact OE2-CD 3.32Å; E342-R350 WeakPolarHBondContact OE2-CD 3.35Å; E342-R350 IonicContact OE2-NE 2.81Å; E342-R350 PolarHBondContact OE2-NE 3.45Å; T346-R350 PolarHBondContact O-N 3Å; T346-R350 VanDerWaalsContact O-N 3.11Å; A347-R350 WeakPolarHBondContact O-CB 3.36Å; A347-R350 PolarHBondContact O-N 2.7Å; C348-R350 VanDerWaalsContact C-N 3.3Å; C348-R350 PolarHBondContact O-N 2.72Å; R350-A353 PolarHBondContact O-N 2.95Å; R350-L354 WeakPolarHBondContact O-CG 3.32Å; R350-L354 PolarHBondContact O-N 3.28Å; R350-L366 HydrophobicContact CB-CD2 3.78Å
351	V	94.3	Very high	91.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-47.4	173.3	175.5	0	0	0	0	110.7	A347 C348 A353 L354 R355 A363 L366 A367 T416 T420	A347-V351 PolarHBondContact O-N 3.36Å; A347-V351 VanDerWaalsContact O-N 3.14Å; C348-V351 WeakPolarHBondContact O-CA 3.48Å; C348-V351 WeakPolarHBondContact O-CB 3.26Å; C348-V351 PolarHBondContact O-N 3.46Å; C348-V351 VanDerWaalsContact O-N 3.13Å; V351-A353 VanDerWaalsContact C-N 3.33Å; V351-A353 PolarHBondContact O-N 2.98Å; V351-L354 PolarHBondContact O-N 2.92Å; V351-R355 WeakPolarHBondContact O-CB 3.45Å; V351-R355 PolarHBondContact O-N 2.94Å; V351-A363 HydrophobicContact CG1-CB 4.21Å; V351-L366 HydrophobicContact CG2-CB 4.05Å; V351-L366 HydrophobicContact CG2-CD2 3.82Å; V351-L366 HydrophobicContact CG2-CG 3.71Å; V351-A367 HydrophobicContact CG1-CB 4.06Å; V351-A367 HydrophobicContact CG2-CB 4.28Å; V351-T416 HydrophobicContact CB-CG2 4.43Å; V351-T416 HydrophobicContact CG1-CG2 4.22Å; V351-T420 HydrophobicContact CG1-CG2 4.03Å
352	D	92.9	Very high	91.3	Very high	15 Å²	15	29.9 Å²	29.9	8%	0.08	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-38.8	177.8	-162.4	45.6	0	0	0	111.8	R173 C228 C348 A349 R355 S356 T416	R173-D352 IonicContact CZ-OD2 3.22Å; R173-D352 IonicContact NH1-OD1 2.69Å; R173-D352 IonicContact NH1-OD2 3.55Å; R173-D352 PolarHBondContact NH1-OD2 2.97Å; R173-D352 VanDerWaalsContact NH1-OD2 3.07Å; R173-D352 IonicContact NH2-OD2 3.58Å; C228-D352 PolarHBondContact SG-OD2 3.48Å; C348-D352 PolarHBondContact O-N 3.46Å; A349-D352 PolarHBondContact O-N 3.35Å; D352-R355 PolarHBondContact O-N 2.68Å; D352-R355 IonicContact OD1-CZ 3.63Å; D352-R355 VanDerWaalsContact OD1-CZ 3.25Å; D352-R355 IonicContact OD1-NH1 2.69Å; D352-R355 PolarHBondContact OD1-NH1 3.27Å; D352-R355 IonicContact OD1-NH2 3.76Å; D352-R355 PolarHBondContact OD1-NH2 2.69Å; D352-S356 WeakPolarHBondContact O-CB 3.5Å; D352-S356 PolarHBondContact O-N 3.28Å; D352-S356 PolarHBondContact O-OG 3.39Å; D352-T416 HydrophobicContact CB-CG2 3.82Å
353	A	93.3	Very high	91.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-49.5	175.3	0	0	0	0	0	111.4	L231 A349 R350 V351 R355 S356 H357	L231-A353 HydrophobicContact CB-CB 3.65Å; A349-A353 VanDerWaalsContact O-CB 3.31Å; A349-A353 WeakPolarHBondContact O-CB 3.38Å; A349-A353 PolarHBondContact O-N 3.29Å; R350-A353 PolarHBondContact O-N 2.95Å; V351-A353 VanDerWaalsContact C-N 3.33Å; V351-A353 PolarHBondContact O-N 2.98Å; A353-R355 VanDerWaalsContact C-N 3.32Å; A353-R355 PolarHBondContact O-N 3.42Å; A353-S356 PolarHBondContact O-N 3.4Å; A353-H357 WeakPolarHBondContact O-CB 3.25Å; A353-H357 PolarHBondContact O-CD2 2.87Å; A353-H357 PolarHBondContact O-N 3.47Å
354	L	92.4	Very high	91.4	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-57.5	-45.7	175.9	-74.8	167.5	0	0	0	111.4	P233 W304 I313 R350 V351 H357 G358 Y359 E362 A363 L366	P233-L354 HydrophobicContact CG-CD2 3.6Å; W304-L354 HydrophobicContact CH2-CD1 3.9Å; W304-L354 HydrophobicContact CH2-CD2 4.19Å; W304-L354 HydrophobicContact CH2-CG 3.74Å; W304-L354 HydrophobicContact CZ3-CD1 3.94Å; W304-L354 HydrophobicContact CZ3-CD2 4.37Å; W304-L354 HydrophobicContact CZ3-CG 4.17Å; I313-L354 HydrophobicContact CD1-CD1 4.32Å; I313-L354 HydrophobicContact CG1-CD1 4.47Å; R350-L354 WeakPolarHBondContact O-CG 3.32Å; R350-L354 PolarHBondContact O-N 3.28Å; V351-L354 PolarHBondContact O-N 2.92Å; L354-H357 PolarHBondContact O-N 3.31Å; L354-G358 PolarHBondContact O-N 3.28Å; L354-Y359 HydrophobicContact CD2-CD2 4.38Å; L354-Y359 HydrophobicContact CD2-CG 4.34Å; L354-Y359 WeakPolarHBondContact O-CA 3.49Å; L354-Y359 WeakPolarHBondContact O-CB 3.31Å; L354-Y359 PolarHBondContact O-N 3.02Å; L354-E362 HydrophobicContact CD1-CB 4.29Å; L354-E362 HydrophobicContact CD2-CB 4.22Å; L354-A363 HydrophobicContact CB-CB 3.72Å; L354-L366 HydrophobicContact CD1-CB 4.48Å; L354-L366 HydrophobicContact CD1-CD2 3.92Å
355	R	90.8	Very high	91.3	Very high	59 Å²	59	24.1 Å²	24.1	22%	0.223	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-46.5	177.4	-164.7	172.7	91.8	-89.1	-11.1	111.5	V351 D352 A353 H357 G358 A363 E423	V351-R355 WeakPolarHBondContact O-CB 3.45Å; V351-R355 PolarHBondContact O-N 2.94Å; D352-R355 PolarHBondContact O-N 2.68Å; D352-R355 IonicContact OD1-CZ 3.63Å; D352-R355 VanDerWaalsContact OD1-CZ 3.25Å; D352-R355 IonicContact OD1-NH1 2.69Å; D352-R355 PolarHBondContact OD1-NH1 3.27Å; D352-R355 IonicContact OD1-NH2 3.76Å; D352-R355 PolarHBondContact OD1-NH2 2.69Å; A353-R355 VanDerWaalsContact C-N 3.32Å; A353-R355 PolarHBondContact O-N 3.42Å; R355-H357 VanDerWaalsContact C-N 3.31Å; R355-H357 PolarHBondContact O-N 3.05Å; R355-G358 PolarHBondContact O-N 3.26Å; R355-A363 HydrophobicContact CB-CB 4.19Å; R355-E423 IonicContact NE-OE2 3.8Å
356	S	90.6	Very high	91.3	Very high	8 Å²	8	24 Å²	24	6%	0.056	12%	0.118	C	C	.	.	H	α-helix	trans	-69.4	-22.9	-178.7	-61.6	0	0	0	0	113.7	R173 L176 K177 D352 A353	R173-S356 PolarHBondContact NH1-OG 2.74Å; R173-S356 VanDerWaalsContact NH1-OG 3.11Å; L176-S356 CarbonylContact C-O 3.53Å; L176-S356 WeakPolarHBondContact CB-O 3.45Å; K177-S356 WeakPolarHBondContact CA-O 3.42Å; K177-S356 PolarHBondContact N-O 3.1Å; D352-S356 WeakPolarHBondContact O-CB 3.5Å; D352-S356 PolarHBondContact O-N 3.28Å; D352-S356 PolarHBondContact O-OG 3.39Å; A353-S356 PolarHBondContact O-N 3.4Å
357	H	90.1	Very high	91.3	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.023	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	12.2	176.1	-73	-74.4	0	0	0	113.9	R179 C228 N232 A353 L354 R355 Y359	R179-H357 PolarHBondContact NE-O 3.3Å; C228-H357 PolarHBondContact O-NE2 3.24Å; N232-H357 WeakPolarHBondContact CB-NE2 3.41Å; A353-H357 WeakPolarHBondContact O-CB 3.25Å; A353-H357 PolarHBondContact O-CD2 2.87Å; A353-H357 PolarHBondContact O-N 3.47Å; L354-H357 PolarHBondContact O-N 3.31Å; R355-H357 VanDerWaalsContact C-N 3.31Å; R355-H357 PolarHBondContact O-N 3.05Å; H357-Y359 HydrophobicContact CB-CD2 3.9Å; H357-Y359 HydrophobicContact CB-CE2 3.97Å; H357-Y359 WeakPolarHBondContact O-CD2 3.23Å; H357-Y359 WeakPolarHBondContact O-CE2 3.17Å
358	G	87.3	Confident	91.2	Very high	22 Å²	22	22.7 Å²	22.7	23%	0.227	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	30.4	175.2	0	0	0	0	0	114.5	L354 R355 P360	L354-G358 PolarHBondContact O-N 3.28Å; R355-G358 PolarHBondContact O-N 3.26Å; G358-P360 VanDerWaalsContact O-CD 3.28Å; G358-P360 WeakPolarHBondContact O-CD 3.43Å
359	Y	89.3	Confident	91	Very high	24 Å²	24	22.7 Å²	22.7	9%	0.094	11%	0.109	C	C	.	.			trans	-114.9	62.5	173.7	-59.5	-81.1	0	0	0	111.4	R179 H234 L354 H357 R361 E362 A363	R179-Y359 PolarHBondContact NE-OH 3.41Å; R179-Y359 PolarHBondContact NH1-OH 3.08Å; R179-Y359 VanDerWaalsContact NH1-OH 3.14Å; R179-Y359 PolarHBondContact NH2-OH 3.09Å; H234-Y359 AromaticContact CE1-CE1 3.81Å; H234-Y359 AromaticContact CE1-CE2 3.86Å; H234-Y359 AromaticContact CE1-CZ 3.25Å; H234-Y359 PolarHBondContact CE1-OH 3.28Å; H234-Y359 AromaticContact ND1-CE2 3.74Å; H234-Y359 AromaticContact ND1-CZ 3.49Å; H234-Y359 PolarHBondContact ND1-OH 3.04Å; L354-Y359 HydrophobicContact CD2-CD2 4.38Å; L354-Y359 HydrophobicContact CD2-CG 4.34Å; L354-Y359 WeakPolarHBondContact O-CA 3.49Å; L354-Y359 WeakPolarHBondContact O-CB 3.31Å; L354-Y359 PolarHBondContact O-N 3.02Å; H357-Y359 HydrophobicContact CB-CD2 3.9Å; H357-Y359 HydrophobicContact CB-CE2 3.97Å; H357-Y359 WeakPolarHBondContact O-CD2 3.23Å; H357-Y359 WeakPolarHBondContact O-CE2 3.17Å; Y359-R361 VanDerWaalsContact C-N 3.33Å; Y359-R361 PolarHBondContact O-N 3.49Å; Y359-E362 VanDerWaalsContact CA-OE2 3.29Å; Y359-E362 WeakPolarHBondContact CA-OE2 3.43Å; Y359-E362 WeakPolarHBondContact CB-OE2 3.44Å; Y359-A363 VanDerWaalsContact O-CB 3.31Å; Y359-A363 WeakPolarHBondContact O-CB 3.43Å; Y359-A363 PolarHBondContact O-N 2.9Å
360	P	88.4	Confident	91	Very high	74 Å²	74	22.5 Å²	22.5	48%	0.481	11%	0.108	S	C	.	.	H	α-helix	trans	-68.2	-29.5	-172.5	27.8	-35.6	0	0	0	113.4	G358 L364	G358-P360 VanDerWaalsContact O-CD 3.28Å; G358-P360 WeakPolarHBondContact O-CD 3.43Å; P360-L364 WeakPolarHBondContact O-CB 3.38Å; P360-L364 PolarHBondContact O-N 3.5Å
361	R	87.1	Confident	91	Very high	166 Å²	166	22.1 Å²	22.1	63%	0.626	11%	0.106	S	C	*	.	H	α-helix	trans	-74	-43.3	-179.6	-67.3	-178.2	178.9	169.1	-0	111.2	Y359 L364 R365	Y359-R361 VanDerWaalsContact C-N 3.33Å; Y359-R361 PolarHBondContact O-N 3.49Å; R361-L364 WeakPolarHBondContact O-CB 3.25Å; R361-L364 PolarHBondContact O-N 3.07Å; R361-R365 WeakPolarHBondContact O-CG 3.34Å; R361-R365 PolarHBondContact O-N 3.41Å
362	E	90.6	Very high	90.8	Very high	49 Å²	49	22.4 Å²	22.4	23%	0.229	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-44.9	174.4	-63.5	81.7	175.5	0	0	110.8	I313 L354 Y359 L364 R365 L366	I313-E362 HydrophobicContact CG2-CB 3.83Å; I313-E362 HydrophobicContact CG2-CG 3.62Å; L354-E362 HydrophobicContact CD1-CB 4.29Å; L354-E362 HydrophobicContact CD2-CB 4.22Å; Y359-E362 VanDerWaalsContact CA-OE2 3.29Å; Y359-E362 WeakPolarHBondContact CA-OE2 3.43Å; Y359-E362 WeakPolarHBondContact CB-OE2 3.44Å; E362-L364 VanDerWaalsContact C-N 3.32Å; E362-L364 PolarHBondContact O-N 3.3Å; E362-R365 PolarHBondContact O-N 3.38Å; E362-L366 PolarHBondContact O-N 2.85Å
363	A	92	Very high	90.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.5	-44.2	174.2	0	0	0	0	0	111.4	V351 L354 R355 Y359 L366 A367 T420	V351-A363 HydrophobicContact CG1-CB 4.21Å; L354-A363 HydrophobicContact CB-CB 3.72Å; R355-A363 HydrophobicContact CB-CB 4.19Å; Y359-A363 VanDerWaalsContact O-CB 3.31Å; Y359-A363 WeakPolarHBondContact O-CB 3.43Å; Y359-A363 PolarHBondContact O-N 2.9Å; A363-L366 PolarHBondContact O-N 3.28Å; A363-A367 VanDerWaalsContact O-CB 3.29Å; A363-A367 WeakPolarHBondContact O-CB 3.5Å; A363-A367 PolarHBondContact O-N 3.43Å; A363-T420 HydrophobicContact CB-CG2 4.34Å
364	L	90.4	Very high	90.6	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.052	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-45.1	178	179.6	63.1	0	0	0	112.3	P360 R361 E362 L366 A367 I368 L421 V455 Y465	P360-L364 WeakPolarHBondContact O-CB 3.38Å; P360-L364 PolarHBondContact O-N 3.5Å; R361-L364 WeakPolarHBondContact O-CB 3.25Å; R361-L364 PolarHBondContact O-N 3.07Å; E362-L364 VanDerWaalsContact C-N 3.32Å; E362-L364 PolarHBondContact O-N 3.3Å; L364-L366 PolarHBondContact O-N 3.07Å; L364-A367 WeakPolarHBondContact O-CB 3.38Å; L364-A367 PolarHBondContact O-N 2.92Å; L364-I368 HydrophobicContact CD1-CD1 4.21Å; L364-I368 HydrophobicContact CD1-CG1 4.43Å; L364-I368 HydrophobicContact CG-CD1 4.1Å; L364-I368 VanDerWaalsContact O-CG1 3.31Å; L364-I368 WeakPolarHBondContact O-CG1 3.49Å; L364-I368 PolarHBondContact O-N 3.15Å; L364-L421 HydrophobicContact CD1-CD2 3.81Å; L364-V455 HydrophobicContact CD2-CG1 3.82Å; L364-Y465 HydrophobicContact CD1-CD1 4.31Å; L364-Y465 HydrophobicContact CD1-CE1 4.35Å; L364-Y465 HydrophobicContact CD2-CE1 4.22Å
365	R	88.9	Confident	90.5	Very high	23 Å²	23	23.8 Å²	23.8	9%	0.087	11%	0.114	C	C	.	.	H	α-helix	trans	-60	-46.6	176.6	-68.6	173	-170.1	129.8	1.1	111.7	I312 I313 D316 R361 E362 A367 I368 A369 L458	I312-R365 HydrophobicContact CG2-CB 4.36Å; I312-R365 WeakPolarHBondContact O-CB 3.38Å; I312-R365 VanDerWaalsContact O-CD 3.24Å; I312-R365 WeakPolarHBondContact O-CD 3.36Å; I313-R365 PolarHBondContact O-NH1 3.13Å; D316-R365 VanDerWaalsContact CG-NH2 3.3Å; D316-R365 IonicContact OD1-CZ 3.07Å; D316-R365 VanDerWaalsContact OD1-CZ 3.26Å; D316-R365 IonicContact OD1-NE 3.55Å; D316-R365 PolarHBondContact OD1-NE 3.4Å; D316-R365 IonicContact OD1-NH2 3.95Å; D316-R365 PolarHBondContact OD1-NH2 3.42Å; D316-R365 IonicContact OD2-CZ 3.21Å; D316-R365 IonicContact OD2-NH2 3.78Å; D316-R365 PolarHBondContact OD2-NH2 3.18Å; R361-R365 WeakPolarHBondContact O-CG 3.34Å; R361-R365 PolarHBondContact O-N 3.41Å; E362-R365 PolarHBondContact O-N 3.38Å; R365-A367 VanDerWaalsContact C-N 3.35Å; R365-I368 PolarHBondContact O-N 3.2Å; R365-A369 PolarHBondContact O-N 3.07Å; R365-L458 HydrophobicContact CG-CD1 4.15Å
366	L	92.1	Very high	90.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.1	-41.1	177.1	-177	59.8	0	0	0	111.3	L309 I312 W340 R350 V351 L354 E362 A363 L364 I368 A369 V370	L309-L366 HydrophobicContact CD1-CD1 3.66Å; L309-L366 HydrophobicContact CD1-CD2 4.32Å; I312-L366 HydrophobicContact CG2-CD1 4.37Å; W340-L366 HydrophobicContact CB-CD1 4.35Å; W340-L366 HydrophobicContact CG-CD1 4.05Å; R350-L366 HydrophobicContact CB-CD2 3.78Å; V351-L366 HydrophobicContact CG2-CB 4.05Å; V351-L366 HydrophobicContact CG2-CD2 3.82Å; V351-L366 HydrophobicContact CG2-CG 3.71Å; L354-L366 HydrophobicContact CD1-CB 4.48Å; L354-L366 HydrophobicContact CD1-CD2 3.92Å; E362-L366 PolarHBondContact O-N 2.85Å; A363-L366 PolarHBondContact O-N 3.28Å; L364-L366 PolarHBondContact O-N 3.07Å; L366-I368 PolarHBondContact O-N 3.1Å; L366-A369 PolarHBondContact O-N 3.01Å; L366-V370 HydrophobicContact CD1-CG2 4.48Å; L366-V370 VanDerWaalsContact O-CG2 3.31Å; L366-V370 WeakPolarHBondContact O-CG2 3.31Å; L366-V370 PolarHBondContact O-N 2.98Å
367	A	93.3	Very high	90.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.8	-45.3	175.8	0	0	0	0	0	111.8	V351 A363 L364 R365 A369 V370 V371 L417 T420	V351-A367 HydrophobicContact CG1-CB 4.06Å; V351-A367 HydrophobicContact CG2-CB 4.28Å; A363-A367 VanDerWaalsContact O-CB 3.29Å; A363-A367 WeakPolarHBondContact O-CB 3.5Å; A363-A367 PolarHBondContact O-N 3.43Å; L364-A367 WeakPolarHBondContact O-CB 3.38Å; L364-A367 PolarHBondContact O-N 2.92Å; R365-A367 VanDerWaalsContact C-N 3.35Å; A367-A369 PolarHBondContact O-N 2.92Å; A367-V370 PolarHBondContact O-N 3.42Å; A367-V371 VanDerWaalsContact O-CG2 3.3Å; A367-V371 WeakPolarHBondContact O-CG2 3.43Å; A367-V371 PolarHBondContact O-N 3.24Å; A367-L417 HydrophobicContact CB-CD2 3.7Å; A367-T420 HydrophobicContact CB-CG2 4.19Å
368	I	90.2	Very high	90.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-43.5	176.8	-65.8	164.3	0	0	0	110.9	L364 R365 L366 V370 V371 N372 L421 L458 Y465 L468	L364-I368 HydrophobicContact CD1-CD1 4.21Å; L364-I368 HydrophobicContact CD1-CG1 4.43Å; L364-I368 HydrophobicContact CG-CD1 4.1Å; L364-I368 VanDerWaalsContact O-CG1 3.31Å; L364-I368 WeakPolarHBondContact O-CG1 3.49Å; L364-I368 PolarHBondContact O-N 3.15Å; R365-I368 PolarHBondContact O-N 3.2Å; L366-I368 PolarHBondContact O-N 3.1Å; I368-V370 VanDerWaalsContact C-N 3.34Å; I368-V370 PolarHBondContact O-N 3.35Å; I368-V371 PolarHBondContact O-N 3.2Å; I368-N372 WeakPolarHBondContact O-CB 3.47Å; I368-N372 PolarHBondContact O-N 3.47Å; I368-N372 PolarHBondContact O-ND2 2.94Å; I368-L421 HydrophobicContact CG1-CD2 4.19Å; I368-L458 HydrophobicContact CD1-CB 4.16Å; I368-Y465 HydrophobicContact CD1-CE1 4Å; I368-L468 HydrophobicContact CG1-CD1 4.3Å
369	A	90.6	Very high	90.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-40.4	176.7	0	0	0	0	0	112.3	I312 P338 W340 R365 L366 A367 N372 T373	I312-A369 HydrophobicContact CD1-CB 4.09Å; I312-A369 HydrophobicContact CG2-CB 4.08Å; P338-A369 HydrophobicContact CB-CB 4.31Å; P338-A369 HydrophobicContact CG-CB 4.23Å; P338-A369 WeakPolarHBondContact O-CA 3.32Å; W340-A369 HydrophobicContact CB-CB 4.26Å; R365-A369 PolarHBondContact O-N 3.07Å; L366-A369 PolarHBondContact O-N 3.01Å; A367-A369 PolarHBondContact O-N 2.92Å; A369-N372 PolarHBondContact O-N 3.4Å; A369-T373 PolarHBondContact O-N 3.45Å; A369-T373 PolarHBondContact O-OG1 3.46Å; A369-T373 VanDerWaalsContact O-OG1 3.11Å
370	V	93.4	Very high	90.3	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-45.2	174.7	173	0	0	0	0	111.1	W340 A347 L366 A367 I368 N372 T373 L374 L417	W340-V370 HydrophobicContact CB-CG2 4.35Å; A347-V370 HydrophobicContact CB-CG1 4.48Å; A347-V370 HydrophobicContact CB-CG2 3.7Å; L366-V370 HydrophobicContact CD1-CG2 4.48Å; L366-V370 VanDerWaalsContact O-CG2 3.31Å; L366-V370 WeakPolarHBondContact O-CG2 3.31Å; L366-V370 PolarHBondContact O-N 2.98Å; A367-V370 PolarHBondContact O-N 3.42Å; I368-V370 VanDerWaalsContact C-N 3.34Å; I368-V370 PolarHBondContact O-N 3.35Å; V370-N372 VanDerWaalsContact C-N 3.33Å; V370-N372 PolarHBondContact O-N 3.29Å; V370-T373 WeakPolarHBondContact O-CB 3.49Å; V370-T373 PolarHBondContact O-N 3.3Å; V370-T373 VanDerWaalsContact O-N 3.14Å; V370-L374 WeakPolarHBondContact O-CG 3.3Å; V370-L374 PolarHBondContact O-N 3.38Å; V370-L417 HydrophobicContact CB-CD2 4.44Å; V370-L417 HydrophobicContact CG1-CD1 4.02Å; V370-L417 HydrophobicContact CG1-CD2 4.35Å
371	V	92.5	Very high	90.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-39.9	177.7	171.3	0	0	0	0	111.5	A367 I368 T373 L374 R375 L417 L421 L468 T472	A367-V371 VanDerWaalsContact O-CG2 3.3Å; A367-V371 WeakPolarHBondContact O-CG2 3.43Å; A367-V371 PolarHBondContact O-N 3.24Å; I368-V371 PolarHBondContact O-N 3.2Å; V371-T373 VanDerWaalsContact C-N 3.33Å; V371-T373 PolarHBondContact O-N 3.31Å; V371-L374 WeakPolarHBondContact O-CB 3.24Å; V371-L374 PolarHBondContact O-N 2.85Å; V371-R375 WeakPolarHBondContact O-CG 3.17Å; V371-R375 PolarHBondContact O-N 2.9Å; V371-L417 HydrophobicContact CG2-CD1 4.2Å; V371-L421 HydrophobicContact CG2-CD1 4.23Å; V371-L468 HydrophobicContact CG1-CD2 4.17Å; V371-T472 WeakPolarHBondContact CG1-OG1 3.19Å; V371-T472 HydrophobicContact CG2-CG2 4.05Å; V371-T472 WeakPolarHBondContact CG2-OG1 3.39Å
372	N	89.8	Confident	90.4	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-64.9	-37.4	174.5	-72.5	-29.7	0	0	0	111.9	L339 I368 A369 V370 R375 R376	L339-N372 VanDerWaalsContact CD2-C 3.43Å; L339-N372 HydrophobicContact CD2-CB 3.61Å; I368-N372 WeakPolarHBondContact O-CB 3.47Å; I368-N372 PolarHBondContact O-N 3.47Å; I368-N372 PolarHBondContact O-ND2 2.94Å; A369-N372 PolarHBondContact O-N 3.4Å; V370-N372 VanDerWaalsContact C-N 3.33Å; V370-N372 PolarHBondContact O-N 3.29Å; N372-R375 PolarHBondContact O-N 3.24Å; N372-R376 WeakPolarHBondContact O-CB 3.33Å; N372-R376 PolarHBondContact O-N 3.32Å
373	T	91.1	Very high	90.3	Very high	15 Å²	15	26.5 Å²	26.5	9%	0.092	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-45.4	170.5	-58.4	0	0	0	0	111.5	W340 A369 V370 V371 R375 R376 Q377	W340-T373 PolarHBondContact N-OG1 3.12Å; W340-T373 WeakPolarHBondContact O-CB 3.37Å; W340-T373 WeakPolarHBondContact O-CG2 3.38Å; W340-T373 PolarHBondContact O-OG1 2.93Å; A369-T373 PolarHBondContact O-N 3.45Å; A369-T373 PolarHBondContact O-OG1 3.46Å; A369-T373 VanDerWaalsContact O-OG1 3.11Å; V370-T373 WeakPolarHBondContact O-CB 3.49Å; V370-T373 PolarHBondContact O-N 3.3Å; V370-T373 VanDerWaalsContact O-N 3.14Å; V371-T373 VanDerWaalsContact C-N 3.33Å; V371-T373 PolarHBondContact O-N 3.31Å; T373-R375 PolarHBondContact O-N 3.27Å; T373-R376 PolarHBondContact O-N 3.25Å; T373-Q377 WeakPolarHBondContact O-CB 3.4Å; T373-Q377 PolarHBondContact O-N 2.74Å
374	L	91.8	Very high	90.1	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-45.9	177.6	-69.6	175.7	0	0	0	111.8	V344 V370 V371 R376 Q377 Q378 W406 L417 T472	V344-L374 HydrophobicContact CG1-CD2 4.17Å; V344-L374 HydrophobicContact CG2-CD2 3.61Å; V370-L374 WeakPolarHBondContact O-CG 3.3Å; V370-L374 PolarHBondContact O-N 3.38Å; V371-L374 WeakPolarHBondContact O-CB 3.24Å; V371-L374 PolarHBondContact O-N 2.85Å; L374-R376 PolarHBondContact O-N 2.66Å; L374-Q377 PolarHBondContact O-N 3.13Å; L374-Q378 WeakPolarHBondContact O-CB 3.44Å; L374-Q378 PolarHBondContact O-N 3.39Å; L374-W406 HydrophobicContact CD2-CH2 3.67Å; L374-W406 HydrophobicContact CD2-CZ2 4.05Å; L374-W406 HydrophobicContact CD2-CZ3 4.23Å; L374-L417 HydrophobicContact CD1-CD1 4.17Å; L374-T472 HydrophobicContact CD1-CG2 4.31Å
375	R	90.4	Very high	89.9	Confident	30 Å²	30	29.8 Å²	29.8	11%	0.113	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-47.4	174.5	-75.4	170.1	161.6	-174.1	-11.5	111.3	V371 N372 T373 Q377 Q378 Q379 E463 E471	V371-R375 WeakPolarHBondContact O-CG 3.17Å; V371-R375 PolarHBondContact O-N 2.9Å; N372-R375 PolarHBondContact O-N 3.24Å; T373-R375 PolarHBondContact O-N 3.27Å; R375-Q377 VanDerWaalsContact C-N 3.33Å; R375-Q377 PolarHBondContact O-N 3.48Å; R375-Q378 PolarHBondContact O-N 3.38Å; R375-Q379 PolarHBondContact O-N 2.73Å; R375-E463 IonicContact CZ-OE2 2.93Å; R375-E463 IonicContact NH1-OE1 2.99Å; R375-E463 IonicContact NH1-OE2 3.71Å; R375-E463 PolarHBondContact NH1-OE2 3.47Å; R375-E463 IonicContact NH2-OE1 3.53Å; R375-E463 IonicContact NH2-OE2 2.58Å; R375-E463 PolarHBondContact NH2-OE2 3.23Å; R375-E471 IonicContact CZ-OE2 3.52Å; R375-E471 IonicContact NE-OE1 3.42Å; R375-E471 IonicContact NE-OE2 2.7Å; R375-E471 PolarHBondContact NE-OE2 3.44Å; R375-E471 IonicContact NH2-OE2 3.5Å; R375-E471 PolarHBondContact NH2-OE2 3.44Å
376	R	88.3	Confident	89.9	Confident	65 Å²	65	35.1 Å²	35.1	25%	0.245	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-38.3	178.2	-170.5	175.1	-170.3	-178.3	4.2	111.7	S330 F332 L339 N372 T373 L374 R380	S330-R376 PolarHBondContact O-NH1 3.19Å; F332-R376 PolarHBondContact O-NH1 3.34Å; F332-R376 VanDerWaalsContact O-NH1 3.08Å; L339-R376 VanDerWaalsContact CD1-CD 3.42Å; N372-R376 WeakPolarHBondContact O-CB 3.33Å; N372-R376 PolarHBondContact O-N 3.32Å; T373-R376 PolarHBondContact O-N 3.25Å; L374-R376 PolarHBondContact O-N 2.66Å; R376-R380 VanDerWaalsContact NH2-NH2 3.19Å; R376-R380 WeakPolarHBondContact O-CB 3.39Å; R376-R380 WeakPolarHBondContact O-CG 3.5Å; R376-R380 PolarHBondContact O-N 2.9Å
377	Q	88.4	Confident	89.7	Confident	71 Å²	71	43.6 Å²	43.6	33%	0.332	18%	0.183	S	C	.	.	H	α-helix	trans	-65.3	-47.1	177.1	-176	177.4	2.3	0	0	111.3	T373 L374 R375 Q379 R380 Q381	T373-Q377 WeakPolarHBondContact O-CB 3.4Å; T373-Q377 PolarHBondContact O-N 2.74Å; L374-Q377 PolarHBondContact O-N 3.13Å; R375-Q377 VanDerWaalsContact C-N 3.33Å; R375-Q377 PolarHBondContact O-N 3.48Å; Q377-Q379 VanDerWaalsContact C-N 3.32Å; Q377-Q379 PolarHBondContact O-N 2.95Å; Q377-R380 PolarHBondContact O-N 2.95Å; Q377-Q381 WeakPolarHBondContact O-CB 3.09Å; Q377-Q381 WeakPolarHBondContact O-CG 3.25Å; Q377-Q381 PolarHBondContact O-N 3.43Å
378	Q	89.9	Confident	89.2	Confident	20 Å²	20	47.2 Å²	47.2	9%	0.093	20%	0.199	C	C	.	.	H	α-helix	trans	-57.8	-45.1	176.5	-170.8	-175.6	44.4	0	0	111.2	L374 R375 Q381 L382 F523	L374-Q378 WeakPolarHBondContact O-CB 3.44Å; L374-Q378 PolarHBondContact O-N 3.39Å; R375-Q378 PolarHBondContact O-N 3.38Å; Q378-Q381 PolarHBondContact O-N 2.99Å; Q378-L382 PolarHBondContact O-N 2.99Å; Q378-F523 HydrophobicContact CG-CD1 4.25Å
379	Q	89.1	Confident	88.9	Confident	67 Å²	67	50.4 Å²	50.4	31%	0.313	21%	0.213	S	C	.	.	H	α-helix	trans	-63.2	-46.3	177.4	-176.3	63.3	25.4	0	0	112.3	R375 Q377 Q381 L382 E383 F523	R375-Q379 PolarHBondContact O-N 2.73Å; Q377-Q379 VanDerWaalsContact C-N 3.32Å; Q377-Q379 PolarHBondContact O-N 2.95Å; Q379-Q381 VanDerWaalsContact C-N 3.34Å; Q379-Q381 PolarHBondContact O-N 3.33Å; Q379-L382 PolarHBondContact O-N 3.36Å; Q379-E383 PolarHBondContact NE2-OE1 3.43Å; Q379-E383 WeakPolarHBondContact O-CG 3.32Å; Q379-E383 PolarHBondContact O-N 3.33Å; Q379-F523 VanDerWaalsContact OE1-CE1 3.25Å; Q379-F523 VanDerWaalsContact OE1-CZ 3.27Å
380	R	88.4	Confident	88.6	Confident	121 Å²	121	59.7 Å²	59.7	46%	0.457	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-41.6	177.2	-78.2	177.1	172.7	178.7	-1.9	112.1	R376 Q377 E383 H384	R376-R380 VanDerWaalsContact NH2-NH2 3.19Å; R376-R380 WeakPolarHBondContact O-CB 3.39Å; R376-R380 WeakPolarHBondContact O-CG 3.5Å; R376-R380 PolarHBondContact O-N 2.9Å; Q377-R380 PolarHBondContact O-N 2.95Å; R380-E383 PolarHBondContact O-N 2.81Å; R380-H384 WeakPolarHBondContact O-CB 3.06Å; R380-H384 PolarHBondContact O-N 2.67Å
381	Q	88	Confident	87.9	Confident	44 Å²	44	64.5 Å²	64.5	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-43.8	176.9	-78	173.3	-20.4	0	0	111.7	Q377 Q378 Q379 H384 F385 Y530	Q377-Q381 WeakPolarHBondContact O-CB 3.09Å; Q377-Q381 WeakPolarHBondContact O-CG 3.25Å; Q377-Q381 PolarHBondContact O-N 3.43Å; Q378-Q381 PolarHBondContact O-N 2.99Å; Q379-Q381 VanDerWaalsContact C-N 3.34Å; Q379-Q381 PolarHBondContact O-N 3.33Å; Q381-H384 PolarHBondContact O-N 3.4Å; Q381-F385 WeakPolarHBondContact O-CB 3.29Å; Q381-F385 PolarHBondContact O-N 3Å; Q381-Y530 HydrophobicContact CB-CD1 4.31Å; Q381-Y530 HydrophobicContact CB-CD2 3.69Å; Q381-Y530 HydrophobicContact CB-CE2 4.12Å; Q381-Y530 HydrophobicContact CB-CG 3.79Å; Q381-Y530 HydrophobicContact CG-CD1 3.89Å; Q381-Y530 HydrophobicContact CG-CD2 4.16Å; Q381-Y530 HydrophobicContact CG-CE1 4.16Å; Q381-Y530 HydrophobicContact CG-CE2 4.42Å; Q381-Y530 HydrophobicContact CG-CG 3.88Å
382	L	89	Confident	87.3	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-47.1	175.7	177.9	63.9	0	0	0	111.9	Q378 Q379 H384 F385 R386 F523 E526	Q378-L382 PolarHBondContact O-N 2.99Å; Q379-L382 PolarHBondContact O-N 3.36Å; L382-H384 VanDerWaalsContact C-N 3.33Å; L382-H384 PolarHBondContact O-N 3.39Å; L382-F385 PolarHBondContact O-N 3.07Å; L382-R386 HydrophobicContact CD1-CG 4.33Å; L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 WeakPolarHBondContact O-CG 3.42Å; L382-R386 PolarHBondContact O-N 3.22Å; L382-F523 HydrophobicContact CD2-CD1 3.55Å; L382-F523 HydrophobicContact CD2-CE1 3.35Å; L382-F523 HydrophobicContact CD2-CZ 4.36Å; L382-E526 HydrophobicContact CD1-CB 3.74Å; L382-E526 WeakPolarHBondContact CD1-O 3.23Å
383	E	89.3	Confident	86.7	Confident	72 Å²	72	69.3 Å²	69.3	34%	0.336	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-41.6	177.5	-73.7	173.9	-161.1	0	0	112.2	Q379 R380 F385 R386 R387	Q379-E383 PolarHBondContact NE2-OE1 3.43Å; Q379-E383 WeakPolarHBondContact O-CG 3.32Å; Q379-E383 PolarHBondContact O-N 3.33Å; R380-E383 PolarHBondContact O-N 2.81Å; E383-F385 VanDerWaalsContact C-N 3.35Å; E383-R386 PolarHBondContact O-N 3.08Å; E383-R387 WeakPolarHBondContact O-CG 3.49Å; E383-R387 PolarHBondContact O-N 3.1Å; E383-R387 VanDerWaalsContact O-N 3.17Å; E383-R387 IonicContact OE2-NH2 3.95Å
384	H	87.4	Confident	85.9	Confident	77 Å²	77	77 Å²	77	36%	0.356	34%	0.335	S	S	.	.	H	α-helix	trans	-61	-44.7	175.9	-176	-93.8	0	0	0	111.6	R380 Q381 L382 R387 H388 Y530	R380-H384 WeakPolarHBondContact O-CB 3.06Å; R380-H384 PolarHBondContact O-N 2.67Å; Q381-H384 PolarHBondContact O-N 3.4Å; L382-H384 VanDerWaalsContact C-N 3.33Å; L382-H384 PolarHBondContact O-N 3.39Å; H384-R387 PolarHBondContact O-N 2.95Å; H384-H388 AromaticContact CE1-ND1 3.79Å; H384-H388 AromaticContact NE2-CE1 3.57Å; H384-H388 AromaticContact NE2-ND1 3.72Å; H384-H388 PolarHBondContact O-N 3.42Å; H384-H388 PolarHBondContact O-ND1 2.94Å; H384-Y530 PolarHBondContact ND1-OH 3.29Å
385	F	86.7	Confident	85.1	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.009	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-44.3	176.1	177.8	-112.3	0	0	0	112	Q381 L382 E383 R387 H388 K389 L392 E526 P529 Y530	Q381-F385 WeakPolarHBondContact O-CB 3.29Å; Q381-F385 PolarHBondContact O-N 3Å; L382-F385 PolarHBondContact O-N 3.07Å; E383-F385 VanDerWaalsContact C-N 3.35Å; F385-R387 PolarHBondContact O-N 2.98Å; F385-H388 CarbonylContact O-C 3.18Å; F385-H388 PolarHBondContact O-N 3.46Å; F385-K389 HydrophobicContact CE1-CB 4.45Å; F385-K389 HydrophobicContact CE1-CD 4.15Å; F385-K389 HydrophobicContact CE1-CG 4.16Å; F385-K389 HydrophobicContact CZ-CB 4.35Å; F385-K389 HydrophobicContact CZ-CD 4.44Å; F385-K389 HydrophobicContact CZ-CG 4Å; F385-K389 WeakPolarHBondContact O-CA 3.22Å; F385-K389 WeakPolarHBondContact O-CB 3.44Å; F385-K389 PolarHBondContact O-N 3.41Å; F385-L392 HydrophobicContact CD2-CD1 3.82Å; F385-L392 HydrophobicContact CE2-CB 4.45Å; F385-L392 HydrophobicContact CE2-CD1 3.97Å; F385-E526 WeakPolarHBondContact CD1-O 3.5Å; F385-E526 WeakPolarHBondContact CE1-O 3.46Å; F385-P529 HydrophobicContact CD2-CG 4.38Å; F385-Y530 HydrophobicContact CB-CE2 4.33Å
386	R	88.1	Confident	84.3	Confident	135 Å²	135	83.4 Å²	83.4	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-56.3	-36.4	177.8	-77.4	176.6	176.5	172.7	-2.5	112.4	L382 E383 E526	L382-R386 HydrophobicContact CD1-CG 4.33Å; L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 WeakPolarHBondContact O-CG 3.42Å; L382-R386 PolarHBondContact O-N 3.22Å; E383-R386 PolarHBondContact O-N 3.08Å; R386-E526 IonicContact CZ-OE2 3.4Å; R386-E526 IonicContact NE-OE2 3.6Å; R386-E526 IonicContact NH2-OE2 3.03Å; R386-E526 PolarHBondContact NH2-OE2 3.44Å
387	R	87.3	Confident	83.8	Confident	179 Å²	179	85.9 Å²	85.9	68%	0.675	39%	0.391	S	S	*	.	H	α-helix	trans	-68	-37.5	175.3	-67.6	178.1	-164.1	124.3	9.5	113.1	E383 H384 F385	E383-R387 WeakPolarHBondContact O-CG 3.49Å; E383-R387 PolarHBondContact O-N 3.1Å; E383-R387 VanDerWaalsContact O-N 3.17Å; E383-R387 IonicContact OE2-NH2 3.95Å; H384-R387 PolarHBondContact O-N 2.95Å; F385-R387 PolarHBondContact O-N 2.98Å
388	H	83.7	Confident	83.5	Confident	76 Å²	76	83.4 Å²	83.4	35%	0.352	38%	0.38	S	S	.	.	H	α-helix	trans	-104.4	5.4	-174.5	-60.7	91.3	0	0	0	114.4	H384 F385 K390 E391 L392	H384-H388 AromaticContact CE1-ND1 3.79Å; H384-H388 AromaticContact NE2-CE1 3.57Å; H384-H388 AromaticContact NE2-ND1 3.72Å; H384-H388 PolarHBondContact O-N 3.42Å; H384-H388 PolarHBondContact O-ND1 2.94Å; F385-H388 CarbonylContact O-C 3.18Å; F385-H388 PolarHBondContact O-N 3.46Å; H388-K390 VanDerWaalsContact C-N 3.32Å; H388-K390 PolarHBondContact O-N 2.94Å; H388-E391 PolarHBondContact O-N 2.82Å; H388-E391 VanDerWaalsContact O-N 3.15Å; H388-L392 HydrophobicContact CB-CD1 4.25Å; H388-L392 PolarHBondContact O-N 3.04Å
389	K	84.3	Confident	83.1	Confident	69 Å²	69	87.6 Å²	87.6	30%	0.3	41%	0.412	S	S	.	.	H	α-helix	trans	-52.9	-44.8	-172	178.5	170.1	-177.1	165.1	0	113	F385 E391 L393 E535	F385-K389 HydrophobicContact CE1-CB 4.45Å; F385-K389 HydrophobicContact CE1-CD 4.15Å; F385-K389 HydrophobicContact CE1-CG 4.16Å; F385-K389 HydrophobicContact CZ-CB 4.35Å; F385-K389 HydrophobicContact CZ-CD 4.44Å; F385-K389 HydrophobicContact CZ-CG 4Å; F385-K389 WeakPolarHBondContact O-CA 3.22Å; F385-K389 WeakPolarHBondContact O-CB 3.44Å; F385-K389 PolarHBondContact O-N 3.41Å; K389-E391 PolarHBondContact O-N 2.77Å; K389-L393 HydrophobicContact CD-CD1 4.27Å; K389-L393 HydrophobicContact CG-CD1 3.59Å; K389-L393 HydrophobicContact CG-CG 4.26Å; K389-L393 WeakPolarHBondContact O-CB 3.32Å; K389-L393 VanDerWaalsContact O-CG 3.28Å; K389-L393 WeakPolarHBondContact O-CG 3.05Å; K389-L393 PolarHBondContact O-N 3.25Å; K389-E535 WeakPolarHBondContact CE-OE2 3.4Å; K389-E535 VanDerWaalsContact NZ-CD 3.31Å; K389-E535 IonicContact NZ-OE1 3.47Å; K389-E535 PolarHBondContact NZ-OE1 2.96Å; K389-E535 IonicContact NZ-OE2 3.8Å; K389-E535 PolarHBondContact NZ-OE2 3.24Å; K389-E535 VanDerWaalsContact NZ-OE2 3.1Å
390	K	82.9	Confident	82.8	Confident	195 Å²	195	87 Å²	87	85%	0.848	41%	0.41	S	S	*	.	H	α-helix	trans	-62.3	-40.7	-177.6	-66.9	-175.2	179.9	-179.7	0	112.6	H388 H394	H388-K390 VanDerWaalsContact C-N 3.32Å; H388-K390 PolarHBondContact O-N 2.94Å; K390-H394 PolarHBondContact O-N 3.33Å
391	E	80.3	Confident	82.7	Confident	104 Å²	104	82.9 Å²	82.9	49%	0.486	40%	0.399	S	S	.	.	H	α-helix	trans	-72.2	-44.6	-178.3	-169	-167.8	154.1	0	0	111.5	H388 K389 H394 K395	H388-E391 PolarHBondContact O-N 2.82Å; H388-E391 VanDerWaalsContact O-N 3.15Å; K389-E391 PolarHBondContact O-N 2.77Å; E391-H394 PolarHBondContact O-N 3.14Å; E391-K395 PolarHBondContact O-N 2.77Å; E391-K395 IonicContact OE1-NZ 3.08Å; E391-K395 PolarHBondContact OE1-NZ 2.75Å
392	L	78.4	Confident	82.6	Confident	29 Å²	29	83.1 Å²	83.1	15%	0.152	40%	0.401	C	S	.	.	H	α-helix	trans	-66.3	-41.1	179.8	-73.5	166.8	0	0	0	111.7	F385 H388 H394 K395 G396 I536	F385-L392 HydrophobicContact CD2-CD1 3.82Å; F385-L392 HydrophobicContact CE2-CB 4.45Å; F385-L392 HydrophobicContact CE2-CD1 3.97Å; H388-L392 HydrophobicContact CB-CD1 4.25Å; H388-L392 PolarHBondContact O-N 3.04Å; L392-H394 VanDerWaalsContact C-N 3.3Å; L392-H394 PolarHBondContact O-N 3.39Å; L392-K395 PolarHBondContact O-N 2.97Å; L392-G396 PolarHBondContact O-N 3.3Å; L392-G396 VanDerWaalsContact O-N 3.16Å; L392-I536 HydrophobicContact CB-CD1 3.89Å; L392-I536 VanDerWaalsContact O-CD1 3.3Å; L392-I536 WeakPolarHBondContact O-CD1 3.36Å
393	L	77.7	Confident	82.1	Confident	79 Å²	79	89.8 Å²	89.8	41%	0.414	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-35.1	175.8	-74.5	171.4	0	0	0	112.4	K389 K395 G396 E535 I536	K389-L393 HydrophobicContact CD-CD1 4.27Å; K389-L393 HydrophobicContact CG-CD1 3.59Å; K389-L393 HydrophobicContact CG-CG 4.26Å; K389-L393 WeakPolarHBondContact O-CB 3.32Å; K389-L393 VanDerWaalsContact O-CG 3.28Å; K389-L393 WeakPolarHBondContact O-CG 3.05Å; K389-L393 PolarHBondContact O-N 3.25Å; L393-K395 VanDerWaalsContact C-N 3.34Å; L393-G396 PolarHBondContact O-N 3.15Å; L393-E535 HydrophobicContact CD2-CB 4.47Å; L393-I536 HydrophobicContact CD2-CD1 3.81Å; L393-I536 HydrophobicContact CD2-CG1 3.92Å; L393-I536 HydrophobicContact CG-CD1 4.15Å
394	H	75.3	Confident	81.8	Confident	175 Å²	175	89.3 Å²	89.3	81%	0.81	43%	0.432	S	S	*	.	H	α-helix	trans	-67.2	-35.2	176.1	-169.7	68.9	0	0	0	112.4	K390 E391 L392	K390-H394 PolarHBondContact O-N 3.33Å; E391-H394 PolarHBondContact O-N 3.14Å; L392-H394 VanDerWaalsContact C-N 3.3Å; L392-H394 PolarHBondContact O-N 3.39Å
395	K	75.4	Confident	81.7	Confident	124 Å²	124	86.5 Å²	86.5	54%	0.539	42%	0.424	S	S	.	.	H	α-helix	trans	-73.8	-24.7	177.4	-72.3	172.4	173.7	170.6	0	113.3	E391 L392 L393 H397	E391-K395 PolarHBondContact O-N 2.77Å; E391-K395 IonicContact OE1-NZ 3.08Å; E391-K395 PolarHBondContact OE1-NZ 2.75Å; L392-K395 PolarHBondContact O-N 2.97Å; L393-K395 VanDerWaalsContact C-N 3.34Å; K395-H397 PolarHBondContact O-N 3.18Å; K395-H397 PolarHBondContact O-ND1 3.16Å
396	G	72.8	Confident	81.9	Confident	45 Å²	45	87.8 Å²	87.8	46%	0.464	43%	0.428	S	S	.	.			trans	67.3	-5.2	177.7	0	0	0	0	0	115.8	L392 L393	L392-G396 PolarHBondContact O-N 3.3Å; L392-G396 VanDerWaalsContact O-N 3.16Å; L393-G396 PolarHBondContact O-N 3.15Å
397	H	77	Confident	82.1	Confident	117 Å²	117	81.5 Å²	81.5	54%	0.542	41%	0.405	S	S	.	.			trans	-141.4	154.3	-178.9	-55.1	84.6	0	0	0	110.2	K395	K395-H397 PolarHBondContact O-N 3.18Å; K395-H397 PolarHBondContact O-ND1 3.16Å
398	T	82.4	Confident	82	Confident	18 Å²	18	73.5 Å²	73.5	11%	0.11	38%	0.378	C	S	.	.			trans	-131.2	140.9	179.6	-176.7	0	0	0	0	111.2	I400 P529 I536 H538	T398-I400 WeakPolarHBondContact OG1-CB 3.44Å; T398-I400 PolarHBondContact OG1-N 3.24Å; T398-P529 HydrophobicContact CG2-CB 3.92Å; T398-I536 HydrophobicContact CG2-CG2 3.95Å; T398-H538 HydrophobicContact CG2-CB 4.34Å; T398-H538 PolarHBondContact O-CD2 2.83Å
399	S	82.1	Confident	82.2	Confident	109 Å²	109	70.2 Å²	70.2	76%	0.762	36%	0.363	S	S	*	.			trans	-94.2	-6.3	167	57.2	0	0	0	0	112.8	T401	S399-T401 PolarHBondContact O-N 3.42Å
400	I	83.2	Confident	82.2	Confident	54 Å²	54	67.9 Å²	67.9	28%	0.277	36%	0.355	S	S	.	.			trans	-70.5	116	176	-59.2	169.4	0	0	0	107.4	T398 P529 Y530	T398-I400 WeakPolarHBondContact OG1-CB 3.44Å; T398-I400 PolarHBondContact OG1-N 3.24Å; I400-P529 HydrophobicContact CB-CB 4.09Å; I400-P529 HydrophobicContact CB-CG 4.33Å; I400-P529 HydrophobicContact CD1-CG 3.93Å; I400-P529 HydrophobicContact CG2-CB 4.27Å; I400-P529 HydrophobicContact CG2-CG 4.36Å; I400-Y530 HydrophobicContact CG2-CD1 4.03Å; I400-Y530 HydrophobicContact CG2-CE1 3.56Å
401	T	84.8	Confident	82.4	Confident	34 Å²	34	59.3 Å²	59.3	21%	0.209	32%	0.318	C	S	.	.			trans	-152.3	145.8	178.2	-170.3	0	0	0	0	111.5	S399 M403 Q480 V482	S399-T401 PolarHBondContact O-N 3.42Å; T401-M403 HydrophobicContact CG2-SD 4.2Å; T401-Q480 VanDerWaalsContact CA-OE1 3.26Å; T401-Q480 PolarHBondContact OG1-NE2 2.87Å; T401-V482 HydrophobicContact CG2-CG2 3.87Å; T401-V482 WeakPolarHBondContact OG1-CG2 3.47Å
402	N	85.9	Confident	82.9	Confident	49 Å²	49	57.3 Å²	57.3	26%	0.262	31%	0.311	S	S	.	.			trans	-86.6	123.3	167.8	-60.8	-57.7	0	0	0	110	E404 Q480 V482	N402-E404 VanDerWaalsContact C-N 3.33Å; N402-Q480 WeakPolarHBondContact CB-O 3.48Å; N402-Q480 PolarHBondContact ND2-O 3.46Å; N402-V482 PolarHBondContact O-N 3.16Å
403	M	80.3	Confident	83.6	Confident	143 Å²	143	55.9 Å²	55.9	70%	0.704	30%	0.303	S	S	*	.	S	Bend	trans	-75.4	-24.6	177.3	-62.6	-59.1	-68.1	0	0	112.7	T401 V482	T401-M403 HydrophobicContact CG2-SD 4.2Å; M403-V482 HydrophobicContact SD-CG2 4.23Å
404	E	81.1	Confident	84.4	Confident	63 Å²	63	52.2 Å²	52.2	29%	0.294	28%	0.284	S	S	.	.	S	Bend	trans	-115.9	124.1	-179.6	-169	165.6	-136.5	0	0	109.9	R295 H343 N402 H409 Q479	R295-E404 IonicContact CZ-OE1 3.2Å; R295-E404 IonicContact NH2-OE1 3.74Å; R295-E404 PolarHBondContact NH2-OE1 3.48Å; H343-E404 IonicContact CE1-OE2 3.79Å; H343-E404 PolarHBondContact CE1-OE2 2.94Å; H343-E404 IonicContact NE2-OE2 3.38Å; H343-E404 PolarHBondContact NE2-OE2 3.38Å; H343-E404 VanDerWaalsContact NE2-OE2 3.13Å; N402-E404 VanDerWaalsContact C-N 3.33Å; E404-H409 IonicContact OE1-CD2 2.87Å; E404-H409 PolarHBondContact OE1-CD2 2.94Å; E404-H409 VanDerWaalsContact OE1-CD2 3.28Å; E404-H409 IonicContact OE1-NE2 3.28Å; E404-H409 PolarHBondContact OE1-NE2 3.45Å; E404-Q479 PolarHBondContact O-NE2 2.95Å
405	G	86.3	Confident	85.3	Confident	17 Å²	17	44 Å²	44	18%	0.175	25%	0.247	C	C	.	.			trans	-88.3	138.6	175.1	0	0	0	0	0	111.5	H409 R481	G405-H409 WeakPolarHBondContact O-CB 3.42Å; G405-R481 VanDerWaalsContact CA-CD 3.49Å
406	W	91.6	Very high	86.2	Confident	29 Å²	29	38.6 Å²	38.6	11%	0.11	22%	0.224	C	C	.	.	S	Bend	trans	-75.7	-33.1	174.7	-58.7	-27.6	0	0	0	112.8	V344 L374 H409 P413 I414 I475 Q479	V344-W406 HydrophobicContact CB-CZ2 4.4Å; V344-W406 HydrophobicContact CG1-CZ2 4.5Å; V344-W406 HydrophobicContact CG2-CZ2 4.04Å; L374-W406 HydrophobicContact CD2-CH2 3.67Å; L374-W406 HydrophobicContact CD2-CZ2 4.05Å; L374-W406 HydrophobicContact CD2-CZ3 4.23Å; W406-H409 WeakPolarHBondContact O-CB 3.33Å; W406-P413 HydrophobicContact CB-CG 3.98Å; W406-P413 HydrophobicContact CG-CG 4.49Å; W406-P413 WeakPolarHBondContact O-CD 3.33Å; W406-P413 WeakPolarHBondContact O-CG 3.41Å; W406-I414 HydrophobicContact CB-CD1 4.23Å; W406-I414 HydrophobicContact CB-CG1 3.77Å; W406-I414 HydrophobicContact CE3-CD1 4.11Å; W406-I475 HydrophobicContact CZ3-CG2 4Å; W406-Q479 HydrophobicContact CD2-CG 4.24Å; W406-Q479 VanDerWaalsContact CD2-OE1 3.24Å; W406-Q479 HydrophobicContact CE3-CB 3.99Å; W406-Q479 HydrophobicContact CE3-CG 3.92Å; W406-Q479 HydrophobicContact CH2-CG 4.39Å; W406-Q479 HydrophobicContact CZ3-CB 4.18Å; W406-Q479 HydrophobicContact CZ3-CG 3.99Å
407	V	90.9	Very high	87.2	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.024	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	126.3	174	-179.3	0	0	0	0	109.5	H409 L477 N496 E497	V407-H409 VanDerWaalsContact C-N 3.33Å; V407-L477 HydrophobicContact CG2-CD2 4.27Å; V407-N496 HydrophobicContact CG1-CB 4.2Å; V407-E497 HydrophobicContact CG1-CB 4.01Å
408	G	85.5	Confident	88	Confident	10 Å²	10	31.3 Å²	31.3	10%	0.103	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-2.6	-172.9	0	0	0	0	0	114.3	K492	G408-K492 WeakPolarHBondContact O-CD 3.45Å; G408-K492 WeakPolarHBondContact O-CE 3.35Å
409	H	88.1	Confident	88.5	Confident	7 Å²	7	31.7 Å²	31.7	3%	0.032	18%	0.182	C	C	.	.			trans	-64.1	141.2	175.6	-168.3	-90.7	0	0	0	111.4	R295 E404 G405 W406 V407 L411 D412 P413	R295-H409 PolarHBondContact NH2-NE2 3.07Å; E404-H409 IonicContact OE1-CD2 2.87Å; E404-H409 PolarHBondContact OE1-CD2 2.94Å; E404-H409 VanDerWaalsContact OE1-CD2 3.28Å; E404-H409 IonicContact OE1-NE2 3.28Å; E404-H409 PolarHBondContact OE1-NE2 3.45Å; G405-H409 WeakPolarHBondContact O-CB 3.42Å; W406-H409 WeakPolarHBondContact O-CB 3.33Å; V407-H409 VanDerWaalsContact C-N 3.33Å; H409-L411 VanDerWaalsContact C-N 3.26Å; H409-L411 VanDerWaalsContact CE1-CG 3.47Å; H409-L411 WeakPolarHBondContact CE1-CG 3.5Å; H409-L411 WeakPolarHBondContact ND1-CB 3.47Å; H409-L411 PolarHBondContact ND1-N 3.13Å; H409-L411 PolarHBondContact O-N 2.99Å; H409-D412 PolarHBondContact O-N 3.34Å; H409-P413 HydrophobicContact CB-CG 4.33Å
410	P	84	Confident	89	Confident	20 Å²	20	26.7 Å²	26.7	13%	0.13	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.8	179.3	-31.1	41.6	0	0	0	115.7	D412	P410-D412 VanDerWaalsContact C-N 3.31Å
411	L	87.5	Confident	89.4	Confident	15 Å²	15	24.1 Å²	24.1	8%	0.079	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-0.3	175.4	-52.8	178.3	0	0	0	114.4	G223 M227 P345 A349 H409	G223-L411 WeakPolarHBondContact O-CD2 3.41Å; M227-L411 HydrophobicContact CB-CD2 4.39Å; M227-L411 HydrophobicContact CE-CD1 3.99Å; M227-L411 HydrophobicContact CE-CD2 4.11Å; M227-L411 HydrophobicContact CG-CD2 3.69Å; M227-L411 HydrophobicContact SD-CD2 4.47Å; P345-L411 HydrophobicContact CB-CD1 4.09Å; A349-L411 HydrophobicContact CB-CD1 4.18Å; H409-L411 VanDerWaalsContact C-N 3.26Å; H409-L411 VanDerWaalsContact CE1-CG 3.47Å; H409-L411 WeakPolarHBondContact CE1-CG 3.5Å; H409-L411 WeakPolarHBondContact ND1-CB 3.47Å; H409-L411 PolarHBondContact ND1-N 3.13Å; H409-L411 PolarHBondContact O-N 2.99Å
412	D	90.3	Very high	89.5	Confident	62 Å²	62	23.6 Å²	23.6	33%	0.332	13%	0.13	S	C	.	.			trans	37.2	61.4	-178.7	-171	25.1	0	0	0	114.8	H409 P410 I414 G415 T416	H409-D412 PolarHBondContact O-N 3.34Å; P410-D412 VanDerWaalsContact C-N 3.31Å; D412-I414 PolarHBondContact O-N 3.09Å; D412-G415 PolarHBondContact O-N 2.65Å; D412-G415 PolarHBondContact OD1-N 3.15Å; D412-G415 WeakPolarHBondContact OD2-CA 3.37Å; D412-T416 WeakPolarHBondContact O-CB 3.39Å; D412-T416 PolarHBondContact O-N 3.39Å; D412-T416 PolarHBondContact O-OG1 3.04Å
413	P	93.1	Very high	89.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-40.2	-171.4	22.3	-32.1	0	0	0	113.5	V344 P345 C348 W406 H409 L417	V344-P413 HydrophobicContact CG1-CB 4.42Å; P345-P413 HydrophobicContact CG-CG 4.38Å; C348-P413 HydrophobicContact CB-CB 3.67Å; C348-P413 VanDerWaalsContact SG-CB 3.54Å; C348-P413 PolarHBondContact SG-O 3.13Å; C348-P413 VanDerWaalsContact SG-O 3.37Å; W406-P413 HydrophobicContact CB-CG 3.98Å; W406-P413 HydrophobicContact CG-CG 4.49Å; W406-P413 WeakPolarHBondContact O-CD 3.33Å; W406-P413 WeakPolarHBondContact O-CG 3.41Å; H409-P413 HydrophobicContact CB-CG 4.33Å; P413-L417 WeakPolarHBondContact O-CG 3.37Å; P413-L417 PolarHBondContact O-N 3.14Å; P413-L417 VanDerWaalsContact O-N 3.15Å
414	I	95.6	Very high	88.9	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-75.3	-42	-178.3	-56.7	-61	0	0	0	110.4	W406 D412 T416 L417 F418 T472 A473 L500	W406-I414 HydrophobicContact CB-CD1 4.23Å; W406-I414 HydrophobicContact CB-CG1 3.77Å; W406-I414 HydrophobicContact CE3-CD1 4.11Å; D412-I414 PolarHBondContact O-N 3.09Å; I414-T416 VanDerWaalsContact C-N 3.31Å; I414-T416 PolarHBondContact O-N 3.44Å; I414-L417 PolarHBondContact O-N 3.46Å; I414-F418 VanDerWaalsContact O-CB 3.28Å; I414-F418 WeakPolarHBondContact O-CB 3.43Å; I414-F418 PolarHBondContact O-N 2.94Å; I414-T472 HydrophobicContact CD1-CG2 4.4Å; I414-A473 HydrophobicContact CG2-CB 4.44Å; I414-L500 HydrophobicContact CB-CD2 4.43Å; I414-L500 HydrophobicContact CG2-CD2 3.64Å
415	G	93.5	Very high	87.7	Confident	3 Å²	3	19.8 Å²	19.8	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-40	174.1	0	0	0	0	0	112.2	D412 F418 S419	D412-G415 PolarHBondContact O-N 2.65Å; D412-G415 PolarHBondContact OD1-N 3.15Å; D412-G415 WeakPolarHBondContact OD2-CA 3.37Å; G415-F418 PolarHBondContact O-N 3.41Å; G415-S419 WeakPolarHBondContact O-CB 3.38Å; G415-S419 PolarHBondContact O-N 2.88Å; G415-S419 PolarHBondContact O-OG 2.95Å
416	T	93.4	Very high	86.3	Confident	10 Å²	10	27.4 Å²	27.4	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-48.6	175.8	-61.7	0	0	0	0	112.3	V351 D352 D412 I414 T420	V351-T416 HydrophobicContact CB-CG2 4.43Å; V351-T416 HydrophobicContact CG1-CG2 4.22Å; D352-T416 HydrophobicContact CB-CG2 3.82Å; D412-T416 WeakPolarHBondContact O-CB 3.39Å; D412-T416 PolarHBondContact O-N 3.39Å; D412-T416 PolarHBondContact O-OG1 3.04Å; I414-T416 VanDerWaalsContact C-N 3.31Å; I414-T416 PolarHBondContact O-N 3.44Å; T416-T420 WeakPolarHBondContact O-CB 3.38Å; T416-T420 PolarHBondContact O-N 2.7Å; T416-T420 PolarHBondContact O-OG1 3.28Å
417	L	94.8	Very high	84.1	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-44.4	177.6	-69.3	174.8	0	0	0	111.2	C348 A367 V370 V371 L374 P413 I414 T420 L421 T472	C348-L417 VanDerWaalsContact SG-CD1 3.59Å; C348-L417 VanDerWaalsContact SG-CG 3.59Å; A367-L417 HydrophobicContact CB-CD2 3.7Å; V370-L417 HydrophobicContact CB-CD2 4.44Å; V370-L417 HydrophobicContact CG1-CD1 4.02Å; V370-L417 HydrophobicContact CG1-CD2 4.35Å; V371-L417 HydrophobicContact CG2-CD1 4.2Å; L374-L417 HydrophobicContact CD1-CD1 4.17Å; P413-L417 WeakPolarHBondContact O-CG 3.37Å; P413-L417 PolarHBondContact O-N 3.14Å; P413-L417 VanDerWaalsContact O-N 3.15Å; I414-L417 PolarHBondContact O-N 3.46Å; L417-T420 PolarHBondContact O-N 3.4Å; L417-L421 WeakPolarHBondContact O-CB 3.26Å; L417-L421 WeakPolarHBondContact O-CD1 3.47Å; L417-L421 VanDerWaalsContact O-CG 3.27Å; L417-L421 WeakPolarHBondContact O-CG 3.33Å; L417-L421 PolarHBondContact O-N 3.01Å; L417-T472 HydrophobicContact CB-CG2 3.98Å; L417-T472 HydrophobicContact CD1-CG2 3.72Å
418	F	94.3	Very high	81.7	Confident	10 Å²	10	32.1 Å²	32.1	4%	0.044	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-50.5	178.7	-174.6	-89.8	0	0	0	111.7	I414 G415 L421 T422 A469 A473 L500 K503 L504 V507	I414-F418 VanDerWaalsContact O-CB 3.28Å; I414-F418 WeakPolarHBondContact O-CB 3.43Å; I414-F418 PolarHBondContact O-N 2.94Å; G415-F418 PolarHBondContact O-N 3.41Å; F418-L421 PolarHBondContact O-N 3.42Å; F418-T422 HydrophobicContact CD1-CG2 4.17Å; F418-T422 HydrophobicContact CE1-CG2 3.84Å; F418-T422 HydrophobicContact CE2-CG2 4.36Å; F418-T422 HydrophobicContact CZ-CG2 3.95Å; F418-T422 WeakPolarHBondContact O-CB 3.46Å; F418-T422 VanDerWaalsContact O-CG2 3.32Å; F418-T422 WeakPolarHBondContact O-CG2 3.48Å; F418-T422 PolarHBondContact O-N 2.99Å; F418-T422 PolarHBondContact O-OG1 3.16Å; F418-A469 HydrophobicContact CD2-CB 3.81Å; F418-A469 WeakPolarHBondContact CD2-O 3.4Å; F418-A469 HydrophobicContact CE2-CB 4.02Å; F418-A469 HydrophobicContact CG-CB 4.47Å; F418-A473 HydrophobicContact CD2-CB 3.92Å; F418-A473 HydrophobicContact CE2-CB 4.36Å; F418-L500 HydrophobicContact CG-CD1 4.39Å; F418-K503 HydrophobicContact CD1-CD 4.26Å; F418-K503 HydrophobicContact CE1-CB 3.91Å; F418-K503 HydrophobicContact CE1-CD 4.23Å; F418-K503 HydrophobicContact CZ-CB 4.33Å; F418-L504 HydrophobicContact CE2-CD2 3.67Å; F418-L504 HydrophobicContact CE2-CG 4.47Å; F418-L504 HydrophobicContact CZ-CD2 4.22Å; F418-V507 HydrophobicContact CZ-CG2 4.43Å
419	S	92.3	Very high	79.4	Confident	26 Å²	26	39.4 Å²	39.4	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-44.6	177.1	-77.7	0	0	0	0	112.2	G415 L421 T422 E423	G415-S419 WeakPolarHBondContact O-CB 3.38Å; G415-S419 PolarHBondContact O-N 2.88Å; G415-S419 PolarHBondContact O-OG 2.95Å; S419-L421 VanDerWaalsContact C-N 3.34Å; S419-L421 PolarHBondContact O-N 2.93Å; S419-T422 WeakPolarHBondContact CA-OG1 3.48Å; S419-T422 PolarHBondContact O-N 3.43Å; S419-T422 PolarHBondContact O-OG1 2.96Å; S419-T422 VanDerWaalsContact O-OG1 3.11Å; S419-E423 WeakPolarHBondContact O-CB 3.41Å; S419-E423 VanDerWaalsContact O-CG 3.24Å; S419-E423 WeakPolarHBondContact O-CG 3.36Å; S419-E423 PolarHBondContact O-N 2.98Å
420	T	92.4	Very high	76.7	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-40.8	-179.8	-55.9	0	0	0	0	112.4	V351 A363 A367 T416 L417 S424	V351-T420 HydrophobicContact CG1-CG2 4.03Å; A363-T420 HydrophobicContact CB-CG2 4.34Å; A367-T420 HydrophobicContact CB-CG2 4.19Å; T416-T420 WeakPolarHBondContact O-CB 3.38Å; T416-T420 PolarHBondContact O-N 2.7Å; T416-T420 PolarHBondContact O-OG1 3.28Å; L417-T420 PolarHBondContact O-N 3.4Å; T420-S424 PolarHBondContact O-OG 3.17Å
421	L	90.8	Very high	74.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-73.7	-37.6	179.3	-69.9	166.1	0	0	0	112.5	L364 I368 V371 L417 F418 S419 G425 Y465 L468 A469	L364-L421 HydrophobicContact CD1-CD2 3.81Å; I368-L421 HydrophobicContact CG1-CD2 4.19Å; V371-L421 HydrophobicContact CG2-CD1 4.23Å; L417-L421 WeakPolarHBondContact O-CB 3.26Å; L417-L421 WeakPolarHBondContact O-CD1 3.47Å; L417-L421 VanDerWaalsContact O-CG 3.27Å; L417-L421 WeakPolarHBondContact O-CG 3.33Å; L417-L421 PolarHBondContact O-N 3.01Å; F418-L421 PolarHBondContact O-N 3.42Å; S419-L421 VanDerWaalsContact C-N 3.34Å; S419-L421 PolarHBondContact O-N 2.93Å; L421-G425 PolarHBondContact O-N 2.81Å; L421-Y465 HydrophobicContact CD2-CD1 4.42Å; L421-Y465 WeakPolarHBondContact O-CB 3.48Å; L421-L468 HydrophobicContact CD1-CB 4.06Å; L421-L468 HydrophobicContact CD2-CB 4.37Å; L421-L468 HydrophobicContact CD2-CD1 4.37Å; L421-A469 HydrophobicContact CB-CB 3.76Å; L421-A469 HydrophobicContact CD1-CB 4.2Å
422	T	87.9	Confident	71.8	Confident	23 Å²	23	51.9 Å²	51.9	14%	0.141	31%	0.313	C	S	.	.	H	α-helix	trans	-75.5	-40.8	-179.1	49.3	0	0	0	0	113.2	F418 S419 S424 G425 R426 M466 A469	F418-T422 HydrophobicContact CD1-CG2 4.17Å; F418-T422 HydrophobicContact CE1-CG2 3.84Å; F418-T422 HydrophobicContact CE2-CG2 4.36Å; F418-T422 HydrophobicContact CZ-CG2 3.95Å; F418-T422 WeakPolarHBondContact O-CB 3.46Å; F418-T422 VanDerWaalsContact O-CG2 3.32Å; F418-T422 WeakPolarHBondContact O-CG2 3.48Å; F418-T422 PolarHBondContact O-N 2.99Å; F418-T422 PolarHBondContact O-OG1 3.16Å; S419-T422 WeakPolarHBondContact CA-OG1 3.48Å; S419-T422 PolarHBondContact O-N 3.43Å; S419-T422 PolarHBondContact O-OG1 2.96Å; S419-T422 VanDerWaalsContact O-OG1 3.11Å; T422-S424 VanDerWaalsContact C-N 3.28Å; T422-S424 PolarHBondContact O-N 3.03Å; T422-G425 PolarHBondContact O-N 2.74Å; T422-G425 VanDerWaalsContact O-N 3.15Å; T422-R426 PolarHBondContact O-N 3.43Å; T422-M466 HydrophobicContact CG2-CE 3.98Å; T422-M466 HydrophobicContact CG2-SD 3.87Å; T422-A469 HydrophobicContact CG2-CB 3.82Å
423	E	83.5	Confident	68.9	Low	98 Å²	98	55.2 Å²	55.2	46%	0.458	33%	0.331	S	S	.	.	H	α-helix	trans	-60	-39.7	176.2	-74.1	169.1	-163.8	0	0	111.6	R355 S419 G425 R426 A427	R355-E423 IonicContact NE-OE2 3.8Å; S419-E423 WeakPolarHBondContact O-CB 3.41Å; S419-E423 VanDerWaalsContact O-CG 3.24Å; S419-E423 WeakPolarHBondContact O-CG 3.36Å; S419-E423 PolarHBondContact O-N 2.98Å; E423-G425 VanDerWaalsContact C-N 3.28Å; E423-G425 PolarHBondContact O-N 3.35Å; E423-R426 PolarHBondContact O-N 3.01Å; E423-A427 PolarHBondContact O-N 3.15Å
424	S	69.1	Low	65.8	Low	34 Å²	34	61.6 Å²	61.6	24%	0.238	37%	0.37	C	S	.	.	H	α-helix	trans	-69.1	-25.4	178.6	-57.9	0	0	0	0	113.3	T420 T422	T420-S424 PolarHBondContact O-OG 3.17Å; T422-S424 VanDerWaalsContact C-N 3.28Å; T422-S424 PolarHBondContact O-N 3.03Å
425	G	57.7	Low	62.6	Low	43 Å²	43	67.1 Å²	67.1	44%	0.443	41%	0.408	S	S	.	.	H	α-helix	trans	-71.1	-30.4	174.1	0	0	0	0	0	113.5	L421 T422 E423	L421-G425 PolarHBondContact O-N 2.81Å; T422-G425 PolarHBondContact O-N 2.74Å; T422-G425 VanDerWaalsContact O-N 3.15Å; E423-G425 VanDerWaalsContact C-N 3.28Å; E423-G425 PolarHBondContact O-N 3.35Å
426	R	55.9	Low	59.8	Low	178 Å²	178	74.6 Å²	74.6	67%	0.672	45%	0.446	S	S	*	.	H	α-helix	trans	-84.3	-33.9	179.7	-65.9	-176.3	179.2	178.7	0.7	113.3	T422 E423 G428 E429	T422-R426 PolarHBondContact O-N 3.43Å; E423-R426 PolarHBondContact O-N 3.01Å; R426-G428 PolarHBondContact O-N 3.43Å; R426-G428 VanDerWaalsContact O-N 3.11Å; R426-E429 PolarHBondContact O-N 3.21Å; R426-E429 VanDerWaalsContact O-N 3.09Å
427	A	46.2	Very low	56.8	Low	63 Å²	63	81.3 Å²	81.3	52%	0.521	48%	0.481	S	S	.	.	H	α-helix	trans	-63.7	-16.4	179.7	0	0	0	0	0	114.2	E423 E429	E423-A427 PolarHBondContact O-N 3.15Å; A427-E429 VanDerWaalsContact C-N 3.32Å
428	G	40.6	Very low	53.7	Low	68 Å²	68	89.9 Å²	89.9	70%	0.701	53%	0.527	S	S	*	.	H	α-helix	trans	-70.7	-21.3	173.2	0	0	0	0	0	114.6	R426	R426-G428 PolarHBondContact O-N 3.43Å; R426-G428 VanDerWaalsContact O-N 3.11Å
429	E	36.1	Very low	50.7	Low	163 Å²	163	94.5 Å²	94.5	76%	0.762	56%	0.56	S	S	*	*	H	α-helix	trans	-98.9	-33.6	-178.6	-70	-173.2	155.1	0	0	113.1	R426 A427	R426-E429 PolarHBondContact O-N 3.21Å; R426-E429 VanDerWaalsContact O-N 3.09Å; A427-E429 VanDerWaalsContact C-N 3.32Å
430	E	32.2	Very low	47.7	Very low	153 Å²	153	100 Å²	100	72%	0.715	59%	0.587	S	S	*	*	H	α-helix	trans	-81.1	-20.1	-177.7	-70.1	-176.9	162.1	0	0	113.9	S432 N433	E430-S432 PolarHBondContact O-N 3.31Å; E430-S432 VanDerWaalsContact O-N 3.16Å; E430-N433 PolarHBondContact O-N 3.19Å
431	G	34.6	Very low	44.6	Very low	60 Å²	60	106.3 Å²	106.3	62%	0.619	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-6.9	-179.6	0	0	0	0	0	115.6
432	S	32.9	Very low	41.8	Very low	91 Å²	91	112.1 Å²	112.1	64%	0.636	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-14.9	175.7	82	0	0	0	0	114.1	E430	E430-S432 PolarHBondContact O-N 3.31Å; E430-S432 VanDerWaalsContact O-N 3.16Å
433	N	30	Very low	39	Very low	133 Å²	133	116.5 Å²	116.5	71%	0.711	70%	0.702	S	S	*	*	S	Bend	trans	-112.9	9.7	-164.9	-73.3	-5	0	0	0	115.5	E430	E430-N433 PolarHBondContact O-N 3.19Å
434	T	28.6	Very low	36.7	Very low	134 Å²	134	119 Å²	119	82%	0.822	72%	0.724	S	S	*	*	S	Bend	trans	-125	18.6	177.3	20.9	0	0	0	0	115.1
435	C	28.5	Very low	34.8	Very low	116 Å²	116	122.7 Å²	122.7	78%	0.784	75%	0.745	S	S	*	*			trans	-121.5	69.9	167.1	-162.1	0	0	0	0	110
436	L	33.8	Very low	33.4	Very low	160 Å²	160	124.5 Å²	124.5	84%	0.838	75%	0.75	S	S	*	*			trans	-109.3	133.6	157.2	-73.2	171.2	0	0	0	107.2
437	D	31.2	Very low	32.1	Very low	151 Å²	151	126.6 Å²	126.6	81%	0.807	76%	0.758	S	S	*	*			trans	91.4	72.3	175.8	-59.7	-13.3	0	0	0	118.1
438	L	28.4	Very low	31.2	Very low	181 Å²	181	127.2 Å²	127.2	95%	0.948	76%	0.763	S	S	*	*			trans	-153.3	88.6	130.8	-99.4	128.7	0	0	0	108.5
439	S	31.2	Very low	30.6	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	77%	0.765	S	S	*	*			trans	-77.8	124.3	167.5	-168.6	0	0	0	0	109.3
440	D	30	Very low	30.4	Very low	142 Å²	142	129.7 Å²	129.7	76%	0.759	77%	0.765	S	S	*	*			trans	142.5	98.9	136.5	-76.4	-3.6	0	0	0	111.9
441	C	27.2	Very low	30.4	Very low	136 Å²	136	129.4 Å²	129.4	92%	0.919	76%	0.764	S	S	*	*				-175	123.4	129.4	-94.3	0	0	0	0	110.6
442	S	32.8	Very low	30.2	Very low	121 Å²	121	136.2 Å²	136.2	85%	0.846	77%	0.771	S	S	*	*			trans	-70.9	125.8	179.9	50.5	0	0	0	0	113.5
443	S	29.3	Very low	30.3	Very low	115 Å²	115	137.7 Å²	137.7	80%	0.804	77%	0.769	S	S	*	*			trans	-157.2	136.8	142.2	59.8	0	0	0	0	111.1	V445	S443-V445 PolarHBondContact O-N 3.25Å
444	V	35.7	Very low	30.8	Very low	152 Å²	152	134.8 Å²	134.8	92%	0.921	76%	0.757	S	S	*	*			trans	-80.6	104.4	-171.1	176.7	0	0	0	0	109.6
445	V	29	Very low	31.5	Very low	111 Å²	111	129.4 Å²	129.4	67%	0.673	73%	0.725	S	S	*	*			trans	-134.2	131.1	154.4	-177.5	0	0	0	0	106.7	S443 R447 L450	S443-V445 PolarHBondContact O-N 3.25Å; V445-R447 PolarHBondContact O-N 3.2Å; V445-R447 VanDerWaalsContact O-N 3.12Å; V445-L450 HydrophobicContact CG1-CD1 4.45Å
446	S	26.6	Very low	32.4	Very low	80 Å²	80	130.1 Å²	130.1	56%	0.559	72%	0.716	S	S	*	*			trans	-48.3	116.7	-173.5	-167.6	0	0	0	0	112.1	A448	S446-A448 PolarHBondContact O-N 3.42Å
447	R	28.9	Very low	33.1	Very low	222 Å²	222	130.9 Å²	130.9	84%	0.838	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	4.5	-176.7	-118.5	174.4	166	167.1	-5	114.2	V445	V445-R447 PolarHBondContact O-N 3.2Å; V445-R447 VanDerWaalsContact O-N 3.12Å
448	A	27.9	Very low	34	Very low	76 Å²	76	124 Å²	124	63%	0.628	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-20.3	-176.1	0	0	0	0	0	114.6	S446	S446-A448 PolarHBondContact O-N 3.42Å
449	D	27.5	Very low	35.5	Very low	137 Å²	137	116.3 Å²	116.3	73%	0.733	63%	0.631	S	S	*	*	S	Bend	trans	-105.4	-7.6	-174.3	-73.5	-46.2	0	0	0	114.8
450	L	32.5	Very low	36.6	Very low	146 Å²	146	111.9 Å²	111.9	76%	0.764	60%	0.602	S	S	*	*	S	Bend	trans	-100.3	1.9	178.1	-94.2	121.5	0	0	0	114.6	V445	V445-L450 HydrophobicContact CG1-CD1 4.45Å
451	Q	31.1	Very low	37.5	Very low	148 Å²	148	114 Å²	114	69%	0.692	61%	0.614	S	S	*	*			trans	-115.9	25	-175.5	-92.1	-178.6	-19.4	0	0	114.9
452	R	30.5	Very low	38.9	Very low	202 Å²	202	111.3 Å²	111.3	76%	0.762	61%	0.609	S	S	*	*	S	Bend	trans	-93.9	107.2	160.3	-84	-178	175.7	140.3	-4.2	109.1
453	M	34.7	Very low	40.8	Very low	123 Å²	123	108.2 Å²	108.2	61%	0.606	58%	0.581	S	S	*	*			trans	-47.9	125.8	178.5	-75.2	-73.1	120.3	0	0	111.7	V455 Q456	M453-V455 PolarHBondContact O-N 3.22Å; M453-V455 VanDerWaalsContact O-N 3.16Å; M453-Q456 PolarHBondContact O-N 3.17Å
454	P	41.7	Very low	43.4	Very low	71 Å²	71	105 Å²	105	46%	0.461	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-59.3	-28.3	-174.4	-25.4	33.2	0	0	0	115.2	D316 Q456 R457	D316-P454 HydrophobicContact CB-CB 4.4Å; P454-Q456 VanDerWaalsContact C-N 3.31Å; P454-Q456 PolarHBondContact O-N 3.37Å; P454-R457 PolarHBondContact O-N 3.2Å
455	V	43.9	Very low	45.8	Very low	22 Å²	22	99.5 Å²	99.5	13%	0.133	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-74.9	-19.9	-175.8	-164.5	0	0	0	0	112.5	L364 M453 R457 L458 Y465	L364-V455 HydrophobicContact CD2-CG1 3.82Å; M453-V455 PolarHBondContact O-N 3.22Å; M453-V455 VanDerWaalsContact O-N 3.16Å; V455-R457 PolarHBondContact O-N 3.42Å; V455-L458 HydrophobicContact CG1-CD1 3.99Å; V455-L458 WeakPolarHBondContact O-CB 3.43Å; V455-L458 PolarHBondContact O-N 2.86Å; V455-Y465 VanDerWaalsContact C-OH 3.3Å; V455-Y465 WeakPolarHBondContact CB-OH 3.3Å; V455-Y465 WeakPolarHBondContact CG1-OH 3.38Å; V455-Y465 PolarHBondContact O-OH 3.45Å; V455-Y465 VanDerWaalsContact O-OH 3.11Å
456	Q	45.4	Very low	48.6	Very low	131 Å²	131	97.2 Å²	97.2	61%	0.612	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-69.6	-15.6	178.4	-154.8	157.2	4.5	0	0	112.7	M453 P454 L458	M453-Q456 PolarHBondContact O-N 3.17Å; P454-Q456 VanDerWaalsContact C-N 3.31Å; P454-Q456 PolarHBondContact O-N 3.37Å; Q456-L458 PolarHBondContact O-N 2.78Å
457	R	50.2	Low	51.6	Low	176 Å²	176	93.6 Å²	93.6	66%	0.664	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-81.3	13	169.6	-61.4	-176.7	-176	166	2	113.1	W337 P454 V455	W337-R457 WeakPolarHBondContact CH2-O 3.42Å; W337-R457 VanDerWaalsContact CZ3-O 3.23Å; W337-R457 WeakPolarHBondContact CZ3-O 3.16Å; P454-R457 PolarHBondContact O-N 3.2Å; V455-R457 PolarHBondContact O-N 3.42Å
458	L	50.4	Low	54.5	Low	6 Å²	6	83.1 Å²	83.1	3%	0.031	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-100.7	-6.7	171.9	-79.9	160.9	0	0	0	113.7	Y318 W337 R365 I368 V455 Q456	Y318-L458 HydrophobicContact CD2-CD2 3.86Å; Y318-L458 HydrophobicContact CE2-CD2 3.37Å; Y318-L458 HydrophobicContact CE2-CG 4.46Å; W337-L458 HydrophobicContact CE3-CD2 3.68Å; W337-L458 HydrophobicContact CZ3-CB 4.26Å; W337-L458 HydrophobicContact CZ3-CD2 3.53Å; W337-L458 HydrophobicContact CZ3-CG 4.24Å; R365-L458 HydrophobicContact CG-CD1 4.15Å; I368-L458 HydrophobicContact CD1-CB 4.16Å; V455-L458 HydrophobicContact CG1-CD1 3.99Å; V455-L458 WeakPolarHBondContact O-CB 3.43Å; V455-L458 PolarHBondContact O-N 2.86Å; Q456-L458 PolarHBondContact O-N 2.78Å
459	L	58.1	Low	57.6	Low	19 Å²	19	79.5 Å²	79.5	10%	0.099	41%	0.41	C	S	.	.	S	Bend	trans	-96.1	142.9	178.6	-68.8	159.8	0	0	0	108.7	E463 Y465 L468	L459-E463 HydrophobicContact CB-CB 4.28Å; L459-E463 WeakPolarHBondContact CB-O 3.23Å; L459-E463 WeakPolarHBondContact CD1-O 3.18Å; L459-E463 HydrophobicContact CD2-CB 4.2Å; L459-Y465 HydrophobicContact CD1-CD1 3.95Å; L459-Y465 HydrophobicContact CD1-CD2 4.28Å; L459-Y465 HydrophobicContact CD1-CE1 3.7Å; L459-Y465 HydrophobicContact CD1-CE2 4.06Å; L459-Y465 HydrophobicContact CD1-CG 4.23Å; L459-Y465 HydrophobicContact CD2-CD1 4.14Å; L459-Y465 HydrophobicContact CD2-CE1 4.3Å; L459-Y465 HydrophobicContact CG-CD1 4.37Å; L459-Y465 HydrophobicContact CG-CE1 4.08Å; L459-L468 HydrophobicContact CD2-CD1 3.38Å; L459-L468 HydrophobicContact CD2-CG 3.93Å
460	G	55.9	Low	60.8	Low	14 Å²	14	73 Å²	73	14%	0.144	38%	0.376	C	S	.	.			trans	-59.1	157.7	168.1	0	0	0	0	0	110.8	G462 E463	G460-G462 PolarHBondContact O-N 3Å; G460-E463 PolarHBondContact O-N 3.4Å
461	D	48.3	Very low	63.7	Low	186 Å²	186	66.1 Å²	66.1	100%	0.995	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	109.8	-179.2	-141.2	10.8	0	0	0	110
462	G	57.5	Low	66.7	Low	80 Å²	80	59.1 Å²	59.1	83%	0.825	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	5.6	-175.9	0	0	0	0	0	117.7	G460	G460-G462 PolarHBondContact O-N 3Å
463	E	70.6	Confident	69.8	Low	56 Å²	56	49.5 Å²	49.5	26%	0.262	27%	0.27	S	S	.	.			trans	-87.7	138.7	173.5	-65.7	-174.4	-162.9	0	0	111.4	R335 R375 L459 G460	R335-E463 IonicContact NH1-OE1 3.02Å; R335-E463 PolarHBondContact NH1-OE1 3.16Å; R375-E463 IonicContact CZ-OE2 2.93Å; R375-E463 IonicContact NH1-OE1 2.99Å; R375-E463 IonicContact NH1-OE2 3.71Å; R375-E463 PolarHBondContact NH1-OE2 3.47Å; R375-E463 IonicContact NH2-OE1 3.53Å; R375-E463 IonicContact NH2-OE2 2.58Å; R375-E463 PolarHBondContact NH2-OE2 3.23Å; L459-E463 HydrophobicContact CB-CB 4.28Å; L459-E463 WeakPolarHBondContact CB-O 3.23Å; L459-E463 WeakPolarHBondContact CD1-O 3.18Å; L459-E463 HydrophobicContact CD2-CB 4.2Å; G460-E463 PolarHBondContact O-N 3.4Å
464	S	84.4	Confident	72.7	Confident	48 Å²	48	43.7 Å²	43.7	34%	0.336	24%	0.242	S	C	.	.			trans	-107.9	159	174.4	73.1	0	0	0	0	111.9	M466 A467 L468	S464-M466 PolarHBondContact O-N 3Å; S464-A467 WeakPolarHBondContact O-CB 3.34Å; S464-A467 PolarHBondContact O-N 2.97Å; S464-A467 VanDerWaalsContact O-N 3.15Å; S464-A467 WeakPolarHBondContact OG-CB 3.34Å; S464-A467 PolarHBondContact OG-N 3.03Å; S464-L468 PolarHBondContact O-N 2.76Å
465	Y	86.1	Confident	75.2	Confident	35 Å²	35	40.8 Å²	40.8	14%	0.137	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-34.8	174.4	-61.2	-63.3	0	0	0	112.1	L364 I368 L421 V455 L459 L468 A469	L364-Y465 HydrophobicContact CD1-CD1 4.31Å; L364-Y465 HydrophobicContact CD1-CE1 4.35Å; L364-Y465 HydrophobicContact CD2-CE1 4.22Å; I368-Y465 HydrophobicContact CD1-CE1 4Å; L421-Y465 HydrophobicContact CD2-CD1 4.42Å; L421-Y465 WeakPolarHBondContact O-CB 3.48Å; V455-Y465 VanDerWaalsContact C-OH 3.3Å; V455-Y465 WeakPolarHBondContact CB-OH 3.3Å; V455-Y465 WeakPolarHBondContact CG1-OH 3.38Å; V455-Y465 PolarHBondContact O-OH 3.45Å; V455-Y465 VanDerWaalsContact O-OH 3.11Å; L459-Y465 HydrophobicContact CD1-CD1 3.95Å; L459-Y465 HydrophobicContact CD1-CD2 4.28Å; L459-Y465 HydrophobicContact CD1-CE1 3.7Å; L459-Y465 HydrophobicContact CD1-CE2 4.06Å; L459-Y465 HydrophobicContact CD1-CG 4.23Å; L459-Y465 HydrophobicContact CD2-CD1 4.14Å; L459-Y465 HydrophobicContact CD2-CE1 4.3Å; L459-Y465 HydrophobicContact CG-CD1 4.37Å; L459-Y465 HydrophobicContact CG-CE1 4.08Å; Y465-L468 PolarHBondContact O-N 3.37Å; Y465-A469 WeakPolarHBondContact O-CB 3.24Å; Y465-A469 PolarHBondContact O-N 3.13Å
466	M	88.8	Confident	77.6	Confident	63 Å²	63	39.8 Å²	39.8	31%	0.31	22%	0.216	S	C	.	.	H	α-helix	trans	-63.1	-43.6	174.1	-173.4	60.4	74	0	0	111.3	T422 S464 L468 A469 V470 V507	T422-M466 HydrophobicContact CG2-CE 3.98Å; T422-M466 HydrophobicContact CG2-SD 3.87Å; S464-M466 PolarHBondContact O-N 3Å; M466-L468 VanDerWaalsContact C-N 3.35Å; M466-L468 PolarHBondContact O-N 2.86Å; M466-A469 WeakPolarHBondContact O-CB 3.28Å; M466-A469 PolarHBondContact O-N 3.4Å; M466-V470 WeakPolarHBondContact O-CG2 3.34Å; M466-V470 PolarHBondContact O-N 3.01Å; M466-V470 HydrophobicContact SD-CG2 4.47Å; M466-V507 HydrophobicContact CG-CG1 4.02Å; M466-V507 HydrophobicContact SD-CG1 3.94Å; M466-V507 HydrophobicContact SD-CG2 3.9Å
467	A	89.6	Confident	79.9	Confident	4 Å²	4	33.6 Å²	33.6	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-43.5	174.1	0	0	0	0	0	112.6	S464 E471 L513 I516	S464-A467 WeakPolarHBondContact O-CB 3.34Å; S464-A467 PolarHBondContact O-N 2.97Å; S464-A467 VanDerWaalsContact O-N 3.15Å; S464-A467 WeakPolarHBondContact OG-CB 3.34Å; S464-A467 PolarHBondContact OG-N 3.03Å; A467-E471 WeakPolarHBondContact O-CB 3.42Å; A467-E471 PolarHBondContact O-N 3.01Å; A467-L513 HydrophobicContact CB-CD2 4.05Å; A467-I516 HydrophobicContact CB-CD1 3.31Å
468	L	89.9	Confident	82	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-41.9	173.7	-71.6	-178.4	0	0	0	112.5	I368 V371 L421 L459 S464 Y465 M466 E471 T472	I368-L468 HydrophobicContact CG1-CD1 4.3Å; V371-L468 HydrophobicContact CG1-CD2 4.17Å; L421-L468 HydrophobicContact CD1-CB 4.06Å; L421-L468 HydrophobicContact CD2-CB 4.37Å; L421-L468 HydrophobicContact CD2-CD1 4.37Å; L459-L468 HydrophobicContact CD2-CD1 3.38Å; L459-L468 HydrophobicContact CD2-CG 3.93Å; S464-L468 PolarHBondContact O-N 2.76Å; Y465-L468 PolarHBondContact O-N 3.37Å; M466-L468 VanDerWaalsContact C-N 3.35Å; M466-L468 PolarHBondContact O-N 2.86Å; L468-E471 PolarHBondContact O-N 3.15Å; L468-T472 WeakPolarHBondContact O-CB 3.45Å; L468-T472 PolarHBondContact O-N 2.85Å; L468-T472 PolarHBondContact O-OG1 3.38Å
469	A	92.8	Very high	84	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-49.9	179.4	0	0	0	0	0	110.7	F418 L421 T422 Y465 M466 T472 A473	F418-A469 HydrophobicContact CD2-CB 3.81Å; F418-A469 WeakPolarHBondContact CD2-O 3.4Å; F418-A469 HydrophobicContact CE2-CB 4.02Å; F418-A469 HydrophobicContact CG-CB 4.47Å; L421-A469 HydrophobicContact CB-CB 3.76Å; L421-A469 HydrophobicContact CD1-CB 4.2Å; T422-A469 HydrophobicContact CG2-CB 3.82Å; Y465-A469 WeakPolarHBondContact O-CB 3.24Å; Y465-A469 PolarHBondContact O-N 3.13Å; M466-A469 WeakPolarHBondContact O-CB 3.28Å; M466-A469 PolarHBondContact O-N 3.4Å; A469-T472 PolarHBondContact O-N 2.82Å; A469-A473 PolarHBondContact O-N 2.87Å
470	V	93.6	Very high	85.6	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-49.7	176.6	170.8	0	0	0	0	110.7	M466 T472 A473 L474 L504 V507 L513 F517	M466-V470 WeakPolarHBondContact O-CG2 3.34Å; M466-V470 PolarHBondContact O-N 3.01Å; M466-V470 HydrophobicContact SD-CG2 4.47Å; V470-T472 VanDerWaalsContact C-N 3.29Å; V470-T472 PolarHBondContact O-N 3.03Å; V470-A473 PolarHBondContact O-N 2.83Å; V470-L474 HydrophobicContact CG1-CD1 4.17Å; V470-L474 HydrophobicContact CG1-CG 4.39Å; V470-L474 WeakPolarHBondContact O-CG 3.44Å; V470-L474 PolarHBondContact O-N 2.87Å; V470-L504 HydrophobicContact CG1-CD2 4.48Å; V470-L504 HydrophobicContact CG2-CD2 4.15Å; V470-V507 HydrophobicContact CG2-CG1 4.24Å; V470-L513 HydrophobicContact CB-CD2 4.24Å; V470-L513 HydrophobicContact CG1-CD2 4.47Å; V470-L513 HydrophobicContact CG2-CD2 4.14Å; V470-F517 HydrophobicContact CG1-CD2 4.08Å; V470-F517 HydrophobicContact CG1-CE2 3.42Å; V470-F517 VanDerWaalsContact CG1-CE2 3.42Å; V470-F517 HydrophobicContact CG1-CZ 4.06Å
471	E	93.6	Very high	87.2	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-41.8	179.7	-166.3	173.9	-157.7	0	0	111.8	R375 A467 L468 L474 I475 I516 K519 Q520	R375-E471 IonicContact CZ-OE2 3.52Å; R375-E471 IonicContact NE-OE1 3.42Å; R375-E471 IonicContact NE-OE2 2.7Å; R375-E471 PolarHBondContact NE-OE2 3.44Å; R375-E471 IonicContact NH2-OE2 3.5Å; R375-E471 PolarHBondContact NH2-OE2 3.44Å; A467-E471 WeakPolarHBondContact O-CB 3.42Å; A467-E471 PolarHBondContact O-N 3.01Å; L468-E471 PolarHBondContact O-N 3.15Å; E471-L474 PolarHBondContact O-N 3.14Å; E471-I475 HydrophobicContact CG-CD1 4.11Å; E471-I475 VanDerWaalsContact O-CG1 3.28Å; E471-I475 WeakPolarHBondContact O-CG1 3.48Å; E471-I475 PolarHBondContact O-N 2.75Å; E471-I516 HydrophobicContact CB-CG2 3.73Å; E471-I516 HydrophobicContact CG-CG2 3.96Å; E471-K519 IonicContact OE1-NZ 2.91Å; E471-K519 PolarHBondContact OE1-NZ 2.92Å; E471-Q520 HydrophobicContact CG-CG 3.77Å; E471-Q520 PolarHBondContact OE1-NE2 3.41Å
472	T	94.4	Very high	89.1	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.6	-42.4	177.9	-56.2	0	0	0	0	111.7	V371 L374 I414 L417 L468 A469 V470 I475 G476	V371-T472 WeakPolarHBondContact CG1-OG1 3.19Å; V371-T472 HydrophobicContact CG2-CG2 4.05Å; V371-T472 WeakPolarHBondContact CG2-OG1 3.39Å; L374-T472 HydrophobicContact CD1-CG2 4.31Å; I414-T472 HydrophobicContact CD1-CG2 4.4Å; L417-T472 HydrophobicContact CB-CG2 3.98Å; L417-T472 HydrophobicContact CD1-CG2 3.72Å; L468-T472 WeakPolarHBondContact O-CB 3.45Å; L468-T472 PolarHBondContact O-N 2.85Å; L468-T472 PolarHBondContact O-OG1 3.38Å; A469-T472 PolarHBondContact O-N 2.82Å; V470-T472 VanDerWaalsContact C-N 3.29Å; V470-T472 PolarHBondContact O-N 3.03Å; T472-I475 PolarHBondContact O-N 3.25Å; T472-G476 PolarHBondContact O-N 3.36Å
473	A	95.7	Very high	90.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-41.5	176.1	0	0	0	0	0	111.8	I414 F418 A469 V470 G476 L477 L500 L504	I414-A473 HydrophobicContact CG2-CB 4.44Å; F418-A473 HydrophobicContact CD2-CB 3.92Å; F418-A473 HydrophobicContact CE2-CB 4.36Å; A469-A473 PolarHBondContact O-N 2.87Å; V470-A473 PolarHBondContact O-N 2.83Å; A473-G476 PolarHBondContact O-N 2.84Å; A473-L477 WeakPolarHBondContact O-CB 3.34Å; A473-L477 VanDerWaalsContact O-CG 3.3Å; A473-L477 WeakPolarHBondContact O-CG 3.29Å; A473-L477 PolarHBondContact O-N 3.48Å; A473-L500 HydrophobicContact CB-CD1 4.2Å; A473-L500 HydrophobicContact CB-CD2 4.34Å; A473-L500 HydrophobicContact CB-CG 4.41Å; A473-L504 HydrophobicContact CB-CD1 3.93Å; A473-L504 HydrophobicContact CB-CD2 3.92Å; A473-L504 HydrophobicContact CB-CG 4.24Å
474	L	95.5	Very high	91.2	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-41.7	176.1	-65.4	-178.8	0	0	0	112.4	V470 E471 G476 G478 F517 Q520 F547 L551	V470-L474 HydrophobicContact CG1-CD1 4.17Å; V470-L474 HydrophobicContact CG1-CG 4.39Å; V470-L474 WeakPolarHBondContact O-CG 3.44Å; V470-L474 PolarHBondContact O-N 2.87Å; E471-L474 PolarHBondContact O-N 3.14Å; L474-G476 VanDerWaalsContact C-N 3.32Å; L474-G478 PolarHBondContact O-N 3.18Å; L474-F517 HydrophobicContact CD1-CD1 4Å; L474-F517 HydrophobicContact CD1-CD2 4.17Å; L474-F517 HydrophobicContact CD1-CE1 4.17Å; L474-F517 HydrophobicContact CD1-CE2 4.34Å; L474-F517 HydrophobicContact CD1-CG 4Å; L474-F517 HydrophobicContact CD1-CZ 4.33Å; L474-F517 HydrophobicContact CD2-CD1 4.33Å; L474-F517 HydrophobicContact CD2-CE1 3.88Å; L474-F517 HydrophobicContact CD2-CZ 4.24Å; L474-Q520 HydrophobicContact CB-CB 4.27Å; L474-Q520 HydrophobicContact CB-CG 4.33Å; L474-Q520 HydrophobicContact CD1-CB 4Å; L474-Q520 HydrophobicContact CD1-CG 4.25Å; L474-F547 HydrophobicContact CD2-CE2 3.72Å; L474-F547 HydrophobicContact CD2-CZ 3.98Å; L474-L551 HydrophobicContact CD2-CD2 3.92Å
475	I	94.4	Very high	91	Very high	11 Å²	11	15.9 Å²	15.9	6%	0.056	8%	0.084	C	C	.	.	H	α-helix	trans	-60.9	-44.6	173.6	-69.8	167.5	0	0	0	110	W406 E471 T472 G478 Q479	W406-I475 HydrophobicContact CZ3-CG2 4Å; E471-I475 HydrophobicContact CG-CD1 4.11Å; E471-I475 VanDerWaalsContact O-CG1 3.28Å; E471-I475 WeakPolarHBondContact O-CG1 3.48Å; E471-I475 PolarHBondContact O-N 2.75Å; T472-I475 PolarHBondContact O-N 3.25Å; I475-G478 PolarHBondContact O-N 3.19Å; I475-Q479 PolarHBondContact O-N 2.77Å
476	G	93.8	Very high	90.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.1	-50.5	-180	0	0	0	0	0	113.9	T472 A473 L474 G478 Q479	T472-G476 PolarHBondContact O-N 3.36Å; A473-G476 PolarHBondContact O-N 2.84Å; L474-G476 VanDerWaalsContact C-N 3.32Å; G476-G478 VanDerWaalsContact C-N 3.27Å; G476-G478 PolarHBondContact O-N 3.03Å; G476-Q479 WeakPolarHBondContact O-CB 3.48Å; G476-Q479 PolarHBondContact O-N 2.98Å
477	L	94.9	Very high	90.4	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-64	-33.9	177.8	-72.8	163.9	0	0	0	111.9	V407 A473 E497 L500 L501 L504 M544 F547	V407-L477 HydrophobicContact CG2-CD2 4.27Å; A473-L477 WeakPolarHBondContact O-CB 3.34Å; A473-L477 VanDerWaalsContact O-CG 3.3Å; A473-L477 WeakPolarHBondContact O-CG 3.29Å; A473-L477 PolarHBondContact O-N 3.48Å; L477-E497 HydrophobicContact CD2-CB 4.48Å; L477-E497 HydrophobicContact CD2-CG 3.87Å; L477-L500 HydrophobicContact CD1-CD2 4.1Å; L477-L500 HydrophobicContact CD1-CG 4.26Å; L477-L500 HydrophobicContact CD2-CD2 3.98Å; L477-L500 HydrophobicContact CG-CD2 3.79Å; L477-L500 HydrophobicContact CG-CG 4.44Å; L477-L501 HydrophobicContact CD1-CD2 3.68Å; L477-L501 HydrophobicContact CD1-CG 4.38Å; L477-L501 HydrophobicContact CD2-CD2 4.48Å; L477-L501 HydrophobicContact CD2-CG 4.45Å; L477-L504 HydrophobicContact CD1-CD1 3.64Å; L477-M544 WeakPolarHBondContact O-CE 3.28Å; L477-F547 HydrophobicContact CB-CD1 3.93Å; L477-F547 HydrophobicContact CB-CD2 3.73Å; L477-F547 HydrophobicContact CB-CE1 3.87Å; L477-F547 HydrophobicContact CB-CE2 3.64Å; L477-F547 HydrophobicContact CB-CG 3.86Å; L477-F547 HydrophobicContact CB-CZ 3.71Å; L477-F547 HydrophobicContact CD1-CD2 3.85Å; L477-F547 HydrophobicContact CD1-CE2 3.79Å; L477-F547 HydrophobicContact CG-CD2 4.31Å; L477-F547 HydrophobicContact CG-CE2 4.36Å
478	G	93.4	Very high	90.1	Very high	1 Å²	1	16 Å²	16	1%	0.01	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.8	-178.8	0	0	0	0	0	116.3	L474 I475 G476 Q480 S531 G532	L474-G478 PolarHBondContact O-N 3.18Å; I475-G478 PolarHBondContact O-N 3.19Å; G476-G478 VanDerWaalsContact C-N 3.27Å; G476-G478 PolarHBondContact O-N 3.03Å; G478-Q480 PolarHBondContact O-N 2.87Å; G478-S531 WeakPolarHBondContact O-CA 3.41Å; G478-S531 PolarHBondContact O-OG 2.65Å; G478-G532 PolarHBondContact O-N 3.3Å
479	Q	92.9	Very high	89.8	Confident	10 Å²	10	16.3 Å²	16.3	5%	0.047	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-63.6	124.9	179.4	-168.6	-158.6	9.1	0	0	111.6	E404 W406 I475 G476 R481 M544	E404-Q479 PolarHBondContact O-NE2 2.95Å; W406-Q479 HydrophobicContact CD2-CG 4.24Å; W406-Q479 VanDerWaalsContact CD2-OE1 3.24Å; W406-Q479 HydrophobicContact CE3-CB 3.99Å; W406-Q479 HydrophobicContact CE3-CG 3.92Å; W406-Q479 HydrophobicContact CH2-CG 4.39Å; W406-Q479 HydrophobicContact CZ3-CB 4.18Å; W406-Q479 HydrophobicContact CZ3-CG 3.99Å; I475-Q479 PolarHBondContact O-N 2.77Å; G476-Q479 WeakPolarHBondContact O-CB 3.48Å; G476-Q479 PolarHBondContact O-N 2.98Å; Q479-R481 PolarHBondContact O-N 2.9Å; Q479-M544 WeakPolarHBondContact O-CE 3.4Å
480	Q	91.9	Very high	89.5	Confident	2 Å²	2	16.5 Å²	16.5	1%	0.009	9%	0.09	C	C	.	.			trans	-64.7	129.1	167.2	-174.6	-79.8	-32.4	0	0	109.4	T401 N402 G478 P529 Y530 V537 S541	T401-Q480 VanDerWaalsContact CA-OE1 3.26Å; T401-Q480 PolarHBondContact OG1-NE2 2.87Å; N402-Q480 WeakPolarHBondContact CB-O 3.48Å; N402-Q480 PolarHBondContact ND2-O 3.46Å; G478-Q480 PolarHBondContact O-N 2.87Å; Q480-P529 WeakPolarHBondContact CB-O 3.38Å; Q480-P529 WeakPolarHBondContact CG-O 3.31Å; Q480-Y530 PolarHBondContact N-O 3.4Å; Q480-V537 HydrophobicContact CG-CG1 4.02Å; Q480-S541 PolarHBondContact NE2-OG 3.21Å
481	R	90.2	Very high	89.3	Confident	3 Å²	3	19.4 Å²	19.4	1%	0.011	10%	0.104	C	C	.	.			trans	-150.8	149.4	179.3	63	-177.5	-177	-75.1	1.7	111.2	G405 Q479 E497 S541 V542	G405-R481 VanDerWaalsContact CA-CD 3.49Å; Q479-R481 PolarHBondContact O-N 2.9Å; R481-E497 IonicContact NH2-OE2 3.03Å; R481-S541 CarbonylContact O-C 3.57Å; R481-S541 WeakPolarHBondContact O-CA 3.27Å; R481-V542 HydrophobicContact CG-CB 4.15Å; R481-V542 HydrophobicContact CG-CG2 3.86Å; R481-V542 PolarHBondContact O-N 3.4Å
482	V	87.8	Confident	89	Confident	21 Å²	21	20.2 Å²	20.2	13%	0.127	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-69.5	144.4	171.2	-173.9	0	0	0	0	110	T401 N402 M403 E540	T401-V482 HydrophobicContact CG2-CG2 3.87Å; T401-V482 WeakPolarHBondContact OG1-CG2 3.47Å; N402-V482 PolarHBondContact O-N 3.16Å; M403-V482 HydrophobicContact SD-CG2 4.23Å; V482-E540 WeakPolarHBondContact CA-O 3.45Å; V482-E540 HydrophobicContact CG1-CB 4.12Å
483	M	86.9	Confident	88.8	Confident	9 Å²	9	20.7 Å²	20.7	4%	0.044	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-60.1	124.2	169.9	-175.3	66.2	75.5	0	0	110	Q490 E540 V542 W602 I608	M483-Q490 HydrophobicContact CG-CG 3.86Å; M483-Q490 HydrophobicContact SD-CB 4.23Å; M483-Q490 HydrophobicContact SD-CG 3.69Å; M483-E540 PolarHBondContact N-O 3.02Å; M483-V542 HydrophobicContact CB-CG2 4.17Å; M483-V542 HydrophobicContact CE-CB 4.48Å; M483-V542 HydrophobicContact CE-CG1 4.24Å; M483-V542 HydrophobicContact CE-CG2 4.08Å; M483-V542 HydrophobicContact SD-CG2 3.96Å; M483-W602 HydrophobicContact CB-CD2 4.45Å; M483-W602 HydrophobicContact CB-CZ2 3.84Å; M483-W602 HydrophobicContact CE-CD2 4.19Å; M483-W602 HydrophobicContact CE-CE3 4.13Å; M483-W602 HydrophobicContact CE-CZ3 4.33Å; M483-W602 HydrophobicContact CG-CD2 4.27Å; M483-W602 HydrophobicContact CG-CG 4.25Å; M483-I608 HydrophobicContact CE-CD1 3.52Å
484	P	85.2	Confident	88.5	Confident	36 Å²	36	21.7 Å²	21.7	23%	0.234	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-66.5	156.2	-179.4	28.4	-36.3	0	0	0	112	A489 Q490 V493	P484-A489 HydrophobicContact CB-CB 3.82Å; P484-A489 HydrophobicContact CG-CB 3.97Å; P484-Q490 HydrophobicContact CG-CG 4.28Å; P484-Q490 VanDerWaalsContact O-CG 3.22Å; P484-Q490 WeakPolarHBondContact O-CG 3.38Å; P484-Q490 PolarHBondContact O-NE2 3.01Å; P484-V493 HydrophobicContact CG-CG2 3.77Å
485	D	79	Confident	88.3	Confident	130 Å²	130	24.4 Å²	24.4	70%	0.695	13%	0.127	S	C	*	.	S	Bend	trans	-76.3	126.8	178.5	-69.3	-43.9	0	0	0	110.9
486	G	79.9	Confident	88.1	Confident	4 Å²	4	25 Å²	25	4%	0.041	13%	0.131	C	C	.	.	S	Bend	trans	101.2	146.9	173.3	0	0	0	0	0	117	H263 Y488 A489 Q490	H263-G486 VanDerWaalsContact CE1-CA 3.47Å; H263-G486 WeakPolarHBondContact CE1-CA 3.1Å; H263-G486 WeakPolarHBondContact NE2-CA 3.28Å; H263-G486 PolarHBondContact NE2-N 3.24Å; G486-Y488 PolarHBondContact O-N 3.39Å; G486-A489 PolarHBondContact O-N 3.01Å; G486-Q490 WeakPolarHBondContact O-CB 3.45Å; G486-Q490 VanDerWaalsContact O-CG 3.22Å; G486-Q490 WeakPolarHBondContact O-CG 2.87Å; G486-Q490 PolarHBondContact O-N 3.41Å
487	L	82.3	Confident	88.1	Confident	77 Å²	77	25.5 Å²	25.5	40%	0.403	13%	0.133	S	C	.	.	H	α-helix	trans	-54.4	-50.8	-176.9	177.4	66.7	0	0	0	111.6	A489 Q490 E491 F603	L487-A489 PolarHBondContact O-N 2.94Å; L487-Q490 PolarHBondContact O-N 3.32Å; L487-E491 HydrophobicContact CD1-CG 4.1Å; L487-E491 WeakPolarHBondContact CD1-OE1 3.35Å; L487-E491 HydrophobicContact CG-CG 4.48Å; L487-E491 WeakPolarHBondContact O-CB 3.48Å; L487-E491 WeakPolarHBondContact O-CG 3.16Å; L487-E491 PolarHBondContact O-N 3.32Å; L487-F603 HydrophobicContact CB-CB 4.27Å; L487-F603 HydrophobicContact CB-CD2 4.16Å; L487-F603 HydrophobicContact CB-CG 4.13Å; L487-F603 HydrophobicContact CD1-CB 3.47Å; L487-F603 VanDerWaalsContact CD1-CB 3.47Å; L487-F603 HydrophobicContact CD1-CG 4.19Å; L487-F603 HydrophobicContact CG-CB 4.47Å
488	Y	83.6	Confident	88	Confident	24 Å²	24	29.6 Å²	29.6	9%	0.094	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-46.3	-178.5	179.1	-100	0	0	0	112.7	D212 R215 Q216 D219 G486 Q490 E491 K492	D212-Y488 HydrophobicContact CB-CD2 4.42Å; D212-Y488 HydrophobicContact CB-CE2 4.19Å; R215-Y488 HydrophobicContact CB-CD2 4.21Å; R215-Y488 HydrophobicContact CB-CE1 4.34Å; R215-Y488 HydrophobicContact CB-CE2 3.6Å; R215-Y488 HydrophobicContact CG-CD1 3.81Å; R215-Y488 HydrophobicContact CG-CD2 3.93Å; R215-Y488 HydrophobicContact CG-CE1 3.37Å; R215-Y488 HydrophobicContact CG-CE2 3.5Å; R215-Y488 VanDerWaalsContact CG-CE2 3.5Å; R215-Y488 HydrophobicContact CG-CG 4.07Å; Q216-Y488 PolarHBondContact N-OH 3.05Å; D219-Y488 PolarHBondContact OD2-OH 3.38Å; G486-Y488 PolarHBondContact O-N 3.39Å; Y488-Q490 VanDerWaalsContact C-N 3.34Å; Y488-Q490 PolarHBondContact O-N 2.94Å; Y488-E491 PolarHBondContact O-N 2.9Å; Y488-K492 HydrophobicContact CE1-CD 4.03Å; Y488-K492 WeakPolarHBondContact O-CB 3.08Å; Y488-K492 PolarHBondContact O-N 2.87Å
489	A	83.6	Confident	88	Confident	9 Å²	9	34.8 Å²	34.8	7%	0.074	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-40.5	179.9	0	0	0	0	0	111.2	P484 G486 L487 K492 V493	P484-A489 HydrophobicContact CB-CB 3.82Å; P484-A489 HydrophobicContact CG-CB 3.97Å; G486-A489 PolarHBondContact O-N 3.01Å; L487-A489 PolarHBondContact O-N 2.94Å; A489-K492 PolarHBondContact O-N 3.18Å; A489-V493 WeakPolarHBondContact O-CG2 3.27Å; A489-V493 PolarHBondContact O-N 3.1Å
490	Q	87.8	Confident	88.1	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-47	175.9	-66.8	176	12.2	0	0	111.9	M483 P484 G486 L487 Y488 K492 V493 C494 R601 T604	M483-Q490 HydrophobicContact CG-CG 3.86Å; M483-Q490 HydrophobicContact SD-CB 4.23Å; M483-Q490 HydrophobicContact SD-CG 3.69Å; P484-Q490 HydrophobicContact CG-CG 4.28Å; P484-Q490 VanDerWaalsContact O-CG 3.22Å; P484-Q490 WeakPolarHBondContact O-CG 3.38Å; P484-Q490 PolarHBondContact O-NE2 3.01Å; G486-Q490 WeakPolarHBondContact O-CB 3.45Å; G486-Q490 VanDerWaalsContact O-CG 3.22Å; G486-Q490 WeakPolarHBondContact O-CG 2.87Å; G486-Q490 PolarHBondContact O-N 3.41Å; L487-Q490 PolarHBondContact O-N 3.32Å; Y488-Q490 VanDerWaalsContact C-N 3.34Å; Y488-Q490 PolarHBondContact O-N 2.94Å; Q490-K492 VanDerWaalsContact C-N 3.33Å; Q490-K492 PolarHBondContact O-N 3.41Å; Q490-V493 PolarHBondContact O-N 3.38Å; Q490-C494 PolarHBondContact O-N 3.08Å; Q490-C494 PolarHBondContact O-SG 2.65Å; Q490-C494 VanDerWaalsContact O-SG 3.41Å; Q490-R601 PolarHBondContact NE2-O 3.42Å; Q490-T604 HydrophobicContact CB-CG2 3.68Å
491	E	88	Confident	88.3	Confident	63 Å²	63	35.1 Å²	35.1	29%	0.294	18%	0.178	S	C	.	.	H	α-helix	trans	-65.3	-35.7	176.6	-72.7	-178.2	167.1	0	0	112.6	L487 Y488 C494 R495 T604	L487-E491 HydrophobicContact CD1-CG 4.1Å; L487-E491 WeakPolarHBondContact CD1-OE1 3.35Å; L487-E491 HydrophobicContact CG-CG 4.48Å; L487-E491 WeakPolarHBondContact O-CB 3.48Å; L487-E491 WeakPolarHBondContact O-CG 3.16Å; L487-E491 PolarHBondContact O-N 3.32Å; Y488-E491 PolarHBondContact O-N 2.9Å; E491-C494 PolarHBondContact O-N 3.08Å; E491-R495 WeakPolarHBondContact O-CB 3.28Å; E491-R495 PolarHBondContact O-N 3.27Å; E491-T604 HydrophobicContact CG-CG2 3.97Å
492	K	87.6	Confident	88.5	Confident	19 Å²	19	37.1 Å²	37.1	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-41	174.6	-178.1	178.5	178.9	176.9	0	111.4	D219 G408 Y488 A489 Q490 R495 N496	D219-K492 IonicContact OD1-NZ 3.02Å; D219-K492 WeakPolarHBondContact OD2-CE 2.9Å; D219-K492 IonicContact OD2-NZ 3.28Å; D219-K492 PolarHBondContact OD2-NZ 2.95Å; G408-K492 WeakPolarHBondContact O-CD 3.45Å; G408-K492 WeakPolarHBondContact O-CE 3.35Å; Y488-K492 HydrophobicContact CE1-CD 4.03Å; Y488-K492 WeakPolarHBondContact O-CB 3.08Å; Y488-K492 PolarHBondContact O-N 2.87Å; A489-K492 PolarHBondContact O-N 3.18Å; Q490-K492 VanDerWaalsContact C-N 3.33Å; Q490-K492 PolarHBondContact O-N 3.41Å; K492-R495 PolarHBondContact O-N 3.3Å; K492-N496 WeakPolarHBondContact O-CB 3.33Å; K492-N496 PolarHBondContact O-N 2.98Å; K492-N496 PolarHBondContact O-OD1 3.26Å
493	V	89.6	Confident	88.7	Confident	9 Å²	9	39.8 Å²	39.8	6%	0.055	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-50.3	173.9	173.8	0	0	0	0	110.7	P484 A489 Q490 R495 N496 E497	P484-V493 HydrophobicContact CG-CG2 3.77Å; A489-V493 WeakPolarHBondContact O-CG2 3.27Å; A489-V493 PolarHBondContact O-N 3.1Å; Q490-V493 PolarHBondContact O-N 3.38Å; V493-R495 PolarHBondContact O-N 2.96Å; V493-N496 PolarHBondContact O-N 3.23Å; V493-E497 WeakPolarHBondContact O-CB 3.3Å; V493-E497 PolarHBondContact O-N 3.04Å
494	C	90.9	Very high	89	Confident	22 Å²	22	39.4 Å²	39.4	15%	0.149	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-46.5	179.1	-60.8	0	0	0	0	111.8	Q490 E491 E497 E498	Q490-C494 PolarHBondContact O-N 3.08Å; Q490-C494 PolarHBondContact O-SG 2.65Å; Q490-C494 VanDerWaalsContact O-SG 3.41Å; E491-C494 PolarHBondContact O-N 3.08Å; C494-E497 WeakPolarHBondContact O-CB 3.38Å; C494-E497 PolarHBondContact O-N 2.86Å; C494-E498 WeakPolarHBondContact O-CG 3.4Å; C494-E498 PolarHBondContact O-N 3.39Å
495	R	90.4	Very high	89.3	Confident	57 Å²	57	44 Å²	44	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-44.1	-179.4	-166.4	-169.9	-48.8	132.9	6.8	112.3	E491 K492 V493 E497 E498 Q499	E491-R495 WeakPolarHBondContact O-CB 3.28Å; E491-R495 PolarHBondContact O-N 3.27Å; K492-R495 PolarHBondContact O-N 3.3Å; V493-R495 PolarHBondContact O-N 2.96Å; R495-E497 VanDerWaalsContact C-N 3.34Å; R495-E498 PolarHBondContact O-N 3.38Å; R495-Q499 WeakPolarHBondContact O-CB 3.47Å; R495-Q499 VanDerWaalsContact O-CG 3.27Å; R495-Q499 WeakPolarHBondContact O-CG 3.4Å; R495-Q499 PolarHBondContact O-N 3.28Å
496	N	90.9	Very high	89.8	Confident	25 Å²	25	45 Å²	45	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-70.3	-33.5	179.8	-73.9	25.4	0	0	0	111.4	V407 K492 V493 L500	V407-N496 HydrophobicContact CG1-CB 4.2Å; K492-N496 WeakPolarHBondContact O-CB 3.33Å; K492-N496 PolarHBondContact O-N 2.98Å; K492-N496 PolarHBondContact O-OD1 3.26Å; V493-N496 PolarHBondContact O-N 3.23Å; N496-L500 WeakPolarHBondContact O-CB 3.46Å; N496-L500 PolarHBondContact O-N 3.37Å
497	E	94.1	Very high	90.2	Very high	10 Å²	10	46 Å²	46	5%	0.047	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-51.4	170.2	179.2	174.2	-177.7	0	0	110.7	V407 L477 R481 V493 C494 R495 Q499 L500 L501 F547	V407-E497 HydrophobicContact CG1-CB 4.01Å; L477-E497 HydrophobicContact CD2-CB 4.48Å; L477-E497 HydrophobicContact CD2-CG 3.87Å; R481-E497 IonicContact NH2-OE2 3.03Å; V493-E497 WeakPolarHBondContact O-CB 3.3Å; V493-E497 PolarHBondContact O-N 3.04Å; C494-E497 WeakPolarHBondContact O-CB 3.38Å; C494-E497 PolarHBondContact O-N 2.86Å; R495-E497 VanDerWaalsContact C-N 3.34Å; E497-Q499 PolarHBondContact O-N 3.39Å; E497-L500 PolarHBondContact O-N 3.42Å; E497-L501 HydrophobicContact CG-CD1 4Å; E497-L501 WeakPolarHBondContact O-CB 3.45Å; E497-L501 VanDerWaalsContact O-CG 3.24Å; E497-L501 WeakPolarHBondContact O-CG 3.36Å; E497-L501 PolarHBondContact O-N 2.84Å; E497-F547 WeakPolarHBondContact OE1-CB 3.36Å; E497-F547 PolarHBondContact OE1-N 2.91Å
498	E	93.1	Very high	90.3	Very high	88 Å²	88	50.9 Å²	50.9	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-42.5	177.5	-72.1	174.4	176.9	0	0	112.7	C494 R495 L501 A502 H607	C494-E498 WeakPolarHBondContact O-CG 3.4Å; C494-E498 PolarHBondContact O-N 3.39Å; R495-E498 PolarHBondContact O-N 3.38Å; E498-L501 PolarHBondContact O-N 2.98Å; E498-A502 WeakPolarHBondContact O-CB 3.45Å; E498-A502 PolarHBondContact O-N 3.37Å; E498-H607 IonicContact OE1-CE1 3.97Å; E498-H607 IonicContact OE1-NE2 2.72Å
499	Q	92.8	Very high	90.4	Very high	110 Å²	110	52.6 Å²	52.6	51%	0.514	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-42.1	177.5	-75.8	175.9	-3.7	0	0	112.6	R495 E497 A502 K503	R495-Q499 WeakPolarHBondContact O-CB 3.47Å; R495-Q499 VanDerWaalsContact O-CG 3.27Å; R495-Q499 WeakPolarHBondContact O-CG 3.4Å; R495-Q499 PolarHBondContact O-N 3.28Å; E497-Q499 PolarHBondContact O-N 3.39Å; Q499-A502 PolarHBondContact O-N 3.12Å; Q499-K503 WeakPolarHBondContact O-CG 3.47Å; Q499-K503 PolarHBondContact O-N 3.42Å; Q499-K503 VanDerWaalsContact O-N 3.14Å
500	L	94.5	Very high	90.6	Very high	12 Å²	12	56 Å²	56	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-69	-38.2	177.5	-175.9	58.9	0	0	0	111.3	I414 F418 A473 L477 N496 E497 K503 L504	I414-L500 HydrophobicContact CB-CD2 4.43Å; I414-L500 HydrophobicContact CG2-CD2 3.64Å; F418-L500 HydrophobicContact CG-CD1 4.39Å; A473-L500 HydrophobicContact CB-CD1 4.2Å; A473-L500 HydrophobicContact CB-CD2 4.34Å; A473-L500 HydrophobicContact CB-CG 4.41Å; L477-L500 HydrophobicContact CD1-CD2 4.1Å; L477-L500 HydrophobicContact CD1-CG 4.26Å; L477-L500 HydrophobicContact CD2-CD2 3.98Å; L477-L500 HydrophobicContact CG-CD2 3.79Å; L477-L500 HydrophobicContact CG-CG 4.44Å; N496-L500 WeakPolarHBondContact O-CB 3.46Å; N496-L500 PolarHBondContact O-N 3.37Å; E497-L500 PolarHBondContact O-N 3.42Å; L500-K503 PolarHBondContact O-N 3.44Å; L500-L504 WeakPolarHBondContact O-CG 3.43Å; L500-L504 PolarHBondContact O-N 3.35Å
501	L	95.4	Very high	90.6	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-39.2	174	-69.6	174.3	0	0	0	112.2	L477 E497 E498 L504 Q505 T546 F547 Y550	L477-L501 HydrophobicContact CD1-CD2 3.68Å; L477-L501 HydrophobicContact CD1-CG 4.38Å; L477-L501 HydrophobicContact CD2-CD2 4.48Å; L477-L501 HydrophobicContact CD2-CG 4.45Å; E497-L501 HydrophobicContact CG-CD1 4Å; E497-L501 WeakPolarHBondContact O-CB 3.45Å; E497-L501 VanDerWaalsContact O-CG 3.24Å; E497-L501 WeakPolarHBondContact O-CG 3.36Å; E497-L501 PolarHBondContact O-N 2.84Å; E498-L501 PolarHBondContact O-N 2.98Å; L501-L504 HydrophobicContact CD2-CD1 4.45Å; L501-L504 PolarHBondContact O-N 3.43Å; L501-L504 VanDerWaalsContact O-N 3.17Å; L501-Q505 WeakPolarHBondContact O-CG 3.24Å; L501-Q505 PolarHBondContact O-N 3.08Å; L501-T546 HydrophobicContact CD1-CG2 3.65Å; L501-F547 HydrophobicContact CD2-CD2 3.99Å; L501-Y550 HydrophobicContact CD2-CD1 3.63Å; L501-Y550 HydrophobicContact CD2-CE1 4.34Å; L501-Y550 HydrophobicContact CD2-CG 3.75Å
502	A	94.9	Very high	90.5	Very high	44 Å²	44	61.3 Å²	61.3	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-45.3	174.5	0	0	0	0	0	111.3	E498 Q499 L504 Q505 E506	E498-A502 WeakPolarHBondContact O-CB 3.45Å; E498-A502 PolarHBondContact O-N 3.37Å; Q499-A502 PolarHBondContact O-N 3.12Å; A502-L504 VanDerWaalsContact C-N 3.27Å; A502-L504 PolarHBondContact O-N 3.21Å; A502-Q505 WeakPolarHBondContact O-CB 3.44Å; A502-Q505 PolarHBondContact O-N 3.43Å; A502-Q505 VanDerWaalsContact O-N 3.1Å; A502-E506 PolarHBondContact O-N 3.23Å
503	K	92.5	Very high	90.6	Very high	77 Å²	77	60.6 Å²	60.6	34%	0.335	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-36.6	173.5	-70.7	179.2	179.4	-179.2	0	112.7	F418 Q499 L500 E506	F418-K503 HydrophobicContact CD1-CD 4.26Å; F418-K503 HydrophobicContact CE1-CB 3.91Å; F418-K503 HydrophobicContact CE1-CD 4.23Å; F418-K503 HydrophobicContact CZ-CB 4.33Å; Q499-K503 WeakPolarHBondContact O-CG 3.47Å; Q499-K503 PolarHBondContact O-N 3.42Å; Q499-K503 VanDerWaalsContact O-N 3.14Å; L500-K503 PolarHBondContact O-N 3.44Å; K503-E506 PolarHBondContact O-N 3.4Å
504	L	93.3	Very high	90.7	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-73.5	-26.6	176.4	-73.8	172.5	0	0	0	113.2	F418 V470 A473 L477 L500 L501 A502 E506 V507 Y550	F418-L504 HydrophobicContact CE2-CD2 3.67Å; F418-L504 HydrophobicContact CE2-CG 4.47Å; F418-L504 HydrophobicContact CZ-CD2 4.22Å; V470-L504 HydrophobicContact CG1-CD2 4.48Å; V470-L504 HydrophobicContact CG2-CD2 4.15Å; A473-L504 HydrophobicContact CB-CD1 3.93Å; A473-L504 HydrophobicContact CB-CD2 3.92Å; A473-L504 HydrophobicContact CB-CG 4.24Å; L477-L504 HydrophobicContact CD1-CD1 3.64Å; L500-L504 WeakPolarHBondContact O-CG 3.43Å; L500-L504 PolarHBondContact O-N 3.35Å; L501-L504 HydrophobicContact CD2-CD1 4.45Å; L501-L504 PolarHBondContact O-N 3.43Å; L501-L504 VanDerWaalsContact O-N 3.17Å; A502-L504 VanDerWaalsContact C-N 3.27Å; A502-L504 PolarHBondContact O-N 3.21Å; L504-E506 VanDerWaalsContact C-N 3.31Å; L504-V507 PolarHBondContact O-N 2.99Å; L504-Y550 HydrophobicContact CB-CE1 4.13Å; L504-Y550 WeakPolarHBondContact CB-OH 3.32Å; L504-Y550 HydrophobicContact CD1-CE1 4.15Å; L504-Y550 PolarHBondContact O-OH 2.94Å; L504-Y550 VanDerWaalsContact O-OH 3.08Å
505	Q	92.1	Very high	90.7	Very high	132 Å²	132	66.2 Å²	66.2	62%	0.617	33%	0.328	S	S	*	.	H	α-helix	trans	-72.3	-25.2	174.5	-74.2	171.5	2.9	0	0	112.6	L501 A502 V507 Y550	L501-Q505 WeakPolarHBondContact O-CG 3.24Å; L501-Q505 PolarHBondContact O-N 3.08Å; A502-Q505 WeakPolarHBondContact O-CB 3.44Å; A502-Q505 PolarHBondContact O-N 3.43Å; A502-Q505 VanDerWaalsContact O-N 3.1Å; Q505-V507 PolarHBondContact O-N 3.08Å; Q505-Y550 HydrophobicContact CG-CD2 3.94Å; Q505-Y550 HydrophobicContact CG-CE2 3.57Å
506	E	89.5	Confident	90.7	Very high	153 Å²	153	64.6 Å²	64.6	72%	0.715	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.5	174	-66.2	176	-173.6	0	0	113	A502 K503 L504	A502-E506 PolarHBondContact O-N 3.23Å; K503-E506 PolarHBondContact O-N 3.4Å; L504-E506 VanDerWaalsContact C-N 3.31Å
507	V	87.7	Confident	90.9	Very high	24 Å²	24	63.6 Å²	63.6	15%	0.145	32%	0.318	C	S	.	.	S	Bend	trans	-87.8	121	179.6	-176.8	0	0	0	0	110	F418 M466 V470 L504 Q505 L513	F418-V507 HydrophobicContact CZ-CG2 4.43Å; M466-V507 HydrophobicContact CG-CG1 4.02Å; M466-V507 HydrophobicContact SD-CG1 3.94Å; M466-V507 HydrophobicContact SD-CG2 3.9Å; V470-V507 HydrophobicContact CG2-CG1 4.24Å; L504-V507 PolarHBondContact O-N 2.99Å; Q505-V507 PolarHBondContact O-N 3.08Å; V507-L513 HydrophobicContact CG1-CD1 3.82Å
508	E	84.7	Confident	90.9	Very high	179 Å²	179	67.3 Å²	67.3	84%	0.836	33%	0.331	S	S	*	.			trans	-69.3	131	173.8	-64.2	-174.8	171.7	0	0	111.1	D510 L513	E508-D510 PolarHBondContact O-N 3.01Å; E508-L513 WeakPolarHBondContact O-CD1 3.31Å
509	L	86	Confident	90.9	Very high	61 Å²	61	67.6 Å²	67.6	32%	0.319	33%	0.331	S	S	.	.			trans	-85.1	106	-176.9	-66.9	172.7	0	0	0	111	L513 V514 F517	L509-L513 HydrophobicContact CD2-CB 4.33Å; L509-V514 HydrophobicContact CB-CG2 4.37Å; L509-F517 HydrophobicContact CD2-CD2 3.88Å; L509-F517 HydrophobicContact CD2-CE2 3.38Å; L509-F517 HydrophobicContact CD2-CZ 3.92Å
510	D	87.4	Confident	91	Very high	81 Å²	81	62.4 Å²	62.4	43%	0.433	31%	0.307	S	S	.	.			trans	-89.1	171	168.1	73.2	17.4	0	0	0	112.3	E508 S512 L513 V514	E508-D510 PolarHBondContact O-N 3.01Å; D510-S512 PolarHBondContact O-N 3.36Å; D510-S512 VanDerWaalsContact O-N 3.13Å; D510-S512 WeakPolarHBondContact OD1-CA 3.43Å; D510-S512 WeakPolarHBondContact OD1-CB 3.38Å; D510-S512 PolarHBondContact OD1-N 2.93Å; D510-S512 PolarHBondContact OD1-OG 3.23Å; D510-S512 PolarHBondContact OD2-OG 3.43Å; D510-L513 PolarHBondContact O-N 3.12Å; D510-L513 WeakPolarHBondContact OD1-CB 3.47Å; D510-L513 WeakPolarHBondContact OD1-CG 3.4Å; D510-L513 PolarHBondContact OD1-N 2.99Å; D510-V514 WeakPolarHBondContact O-CG2 3.48Å; D510-V514 PolarHBondContact O-N 3.31Å
511	D	86.5	Confident	91	Very high	132 Å²	132	61.9 Å²	61.9	71%	0.706	31%	0.305	S	S	*	.	H	α-helix	trans	-58.6	-26.5	179.3	-78.6	-31.5	0	0	0	113.5	K515	D511-K515 WeakPolarHBondContact O-CG 3.33Å; D511-K515 PolarHBondContact O-N 3.29Å
512	S	86.9	Confident	91	Very high	45 Å²	45	64.3 Å²	64.3	32%	0.315	32%	0.319	S	S	.	.	H	α-helix	trans	-75.8	-43	179.2	83.8	0	0	0	0	111.3	D510 K515 I516	D510-S512 PolarHBondContact O-N 3.36Å; D510-S512 VanDerWaalsContact O-N 3.13Å; D510-S512 WeakPolarHBondContact OD1-CA 3.43Å; D510-S512 WeakPolarHBondContact OD1-CB 3.38Å; D510-S512 PolarHBondContact OD1-N 2.93Å; D510-S512 PolarHBondContact OD1-OG 3.23Å; D510-S512 PolarHBondContact OD2-OG 3.43Å; S512-K515 WeakPolarHBondContact O-CB 3.47Å; S512-K515 PolarHBondContact O-N 2.92Å; S512-I516 PolarHBondContact O-N 3.27Å
513	L	89.5	Confident	90.8	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-67.9	-41.1	175.4	-67.6	179.7	0	0	0	110.3	A467 V470 V507 E508 L509 D510 K515 I516 F517	A467-L513 HydrophobicContact CB-CD2 4.05Å; V470-L513 HydrophobicContact CB-CD2 4.24Å; V470-L513 HydrophobicContact CG1-CD2 4.47Å; V470-L513 HydrophobicContact CG2-CD2 4.14Å; V507-L513 HydrophobicContact CG1-CD1 3.82Å; E508-L513 WeakPolarHBondContact O-CD1 3.31Å; L509-L513 HydrophobicContact CD2-CB 4.33Å; D510-L513 PolarHBondContact O-N 3.12Å; D510-L513 WeakPolarHBondContact OD1-CB 3.47Å; D510-L513 WeakPolarHBondContact OD1-CG 3.4Å; D510-L513 PolarHBondContact OD1-N 2.99Å; L513-K515 VanDerWaalsContact C-N 3.25Å; L513-K515 PolarHBondContact O-N 3.23Å; L513-I516 HydrophobicContact CD2-CD1 4.28Å; L513-I516 CarbonylContact O-C 3.51Å; L513-I516 WeakPolarHBondContact O-CA 3.4Å; L513-I516 WeakPolarHBondContact O-CB 3.43Å; L513-I516 PolarHBondContact O-N 3.47Å; L513-F517 WeakPolarHBondContact O-CD2 3.25Å; L513-F517 PolarHBondContact O-N 3.02Å
514	V	91.4	Very high	90.9	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-56.9	-39.8	174.3	172.3	0	0	0	0	111.3	L509 D510 I516 F517 R518 H558	L509-V514 HydrophobicContact CB-CG2 4.37Å; D510-V514 WeakPolarHBondContact O-CG2 3.48Å; D510-V514 PolarHBondContact O-N 3.31Å; V514-I516 VanDerWaalsContact C-N 3.33Å; V514-I516 PolarHBondContact O-N 3.15Å; V514-F517 PolarHBondContact O-N 2.98Å; V514-R518 WeakPolarHBondContact O-CG 3.44Å; V514-R518 PolarHBondContact O-N 2.67Å; V514-H558 HydrophobicContact CG1-CB 3.8Å
515	K	90.8	Very high	90.8	Very high	143 Å²	143	61.1 Å²	61.1	62%	0.622	30%	0.298	S	S	*	.	H	α-helix	trans	-62.2	-39	173.6	-71.5	169	-172.8	173.7	0	112.1	D511 S512 L513 K519	D511-K515 WeakPolarHBondContact O-CG 3.33Å; D511-K515 PolarHBondContact O-N 3.29Å; S512-K515 WeakPolarHBondContact O-CB 3.47Å; S512-K515 PolarHBondContact O-N 2.92Å; L513-K515 VanDerWaalsContact C-N 3.25Å; L513-K515 PolarHBondContact O-N 3.23Å; K515-K519 VanDerWaalsContact O-CB 3.26Å; K515-K519 WeakPolarHBondContact O-CB 3.32Å; K515-K519 PolarHBondContact O-N 3.24Å
516	I	91.7	Very high	90.7	Very high	23 Å²	23	58.3 Å²	58.3	12%	0.118	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-45.1	176.9	-67.2	167.1	0	0	0	110.9	A467 E471 S512 L513 V514 R518 K519 Q520	A467-I516 HydrophobicContact CB-CD1 3.31Å; E471-I516 HydrophobicContact CB-CG2 3.73Å; E471-I516 HydrophobicContact CG-CG2 3.96Å; S512-I516 PolarHBondContact O-N 3.27Å; L513-I516 HydrophobicContact CD2-CD1 4.28Å; L513-I516 CarbonylContact O-C 3.51Å; L513-I516 WeakPolarHBondContact O-CA 3.4Å; L513-I516 WeakPolarHBondContact O-CB 3.43Å; L513-I516 PolarHBondContact O-N 3.47Å; V514-I516 VanDerWaalsContact C-N 3.33Å; V514-I516 PolarHBondContact O-N 3.15Å; I516-R518 PolarHBondContact O-N 2.94Å; I516-K519 PolarHBondContact O-N 2.99Å; I516-Q520 HydrophobicContact CG2-CG 4.4Å; I516-Q520 WeakPolarHBondContact O-CB 3.41Å; I516-Q520 WeakPolarHBondContact O-CG 3.43Å; I516-Q520 PolarHBondContact O-N 3.42Å
517	F	93.6	Very high	90.5	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.013	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-46.8	174.6	-89.8	-99.2	0	0	0	111.5	V470 L474 L509 L513 V514 Q520 A521 Y550 L551 L555	V470-F517 HydrophobicContact CG1-CD2 4.08Å; V470-F517 HydrophobicContact CG1-CE2 3.42Å; V470-F517 VanDerWaalsContact CG1-CE2 3.42Å; V470-F517 HydrophobicContact CG1-CZ 4.06Å; L474-F517 HydrophobicContact CD1-CD1 4Å; L474-F517 HydrophobicContact CD1-CD2 4.17Å; L474-F517 HydrophobicContact CD1-CE1 4.17Å; L474-F517 HydrophobicContact CD1-CE2 4.34Å; L474-F517 HydrophobicContact CD1-CG 4Å; L474-F517 HydrophobicContact CD1-CZ 4.33Å; L474-F517 HydrophobicContact CD2-CD1 4.33Å; L474-F517 HydrophobicContact CD2-CE1 3.88Å; L474-F517 HydrophobicContact CD2-CZ 4.24Å; L509-F517 HydrophobicContact CD2-CD2 3.88Å; L509-F517 HydrophobicContact CD2-CE2 3.38Å; L509-F517 HydrophobicContact CD2-CZ 3.92Å; L513-F517 WeakPolarHBondContact O-CD2 3.25Å; L513-F517 PolarHBondContact O-N 3.02Å; V514-F517 PolarHBondContact O-N 2.98Å; F517-Q520 PolarHBondContact O-N 3.28Å; F517-A521 WeakPolarHBondContact O-CB 3.4Å; F517-A521 PolarHBondContact O-N 3.39Å; F517-Y550 AromaticContact CE1-CE1 3.68Å; F517-Y550 HydrophobicContact CE1-CE1 3.68Å; F517-Y550 AromaticContact CZ-CE1 3.92Å; F517-Y550 HydrophobicContact CZ-CE1 3.92Å; F517-Y550 WeakPolarHBondContact CZ-OH 3.41Å; F517-L551 HydrophobicContact CD1-CD2 3.76Å; F517-L551 HydrophobicContact CE1-CD2 3.98Å; F517-L555 HydrophobicContact CB-CD2 3.82Å; F517-L555 HydrophobicContact CB-CG 4.41Å
518	R	94.3	Very high	90.4	Very high	89 Å²	89	50.1 Å²	50.1	34%	0.336	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-47.7	176.1	-73.3	-178.9	-177.1	156.9	-1.8	111.9	V514 I516 Q520 A521 V522 L555 H558 L562	V514-R518 WeakPolarHBondContact O-CG 3.44Å; V514-R518 PolarHBondContact O-N 2.67Å; I516-R518 PolarHBondContact O-N 2.94Å; R518-Q520 PolarHBondContact O-N 3.38Å; R518-A521 PolarHBondContact O-N 3.46Å; R518-V522 WeakPolarHBondContact O-CG2 3.4Å; R518-V522 PolarHBondContact O-N 2.94Å; R518-V522 VanDerWaalsContact O-N 3.07Å; R518-L555 HydrophobicContact CG-CD2 3.83Å; R518-H558 PolarHBondContact NH2-O 3.29Å; R518-L562 HydrophobicContact CB-CD2 4.18Å; R518-L562 HydrophobicContact CG-CD2 4.19Å
519	K	93.1	Very high	90.4	Very high	94 Å²	94	41.7 Å²	41.7	41%	0.409	21%	0.207	S	C	.	.	H	α-helix	trans	-56.1	-54	177.4	178	-170.7	170.4	-153	0	110.2	E471 K515 I516 A521 V522 F523	E471-K519 IonicContact OE1-NZ 2.91Å; E471-K519 PolarHBondContact OE1-NZ 2.92Å; K515-K519 VanDerWaalsContact O-CB 3.26Å; K515-K519 WeakPolarHBondContact O-CB 3.32Å; K515-K519 PolarHBondContact O-N 3.24Å; I516-K519 PolarHBondContact O-N 2.99Å; K519-A521 PolarHBondContact O-N 3.31Å; K519-V522 PolarHBondContact O-N 3.01Å; K519-F523 HydrophobicContact CD-CE2 4.43Å; K519-F523 HydrophobicContact CG-CD2 3.9Å; K519-F523 HydrophobicContact CG-CE2 3.78Å; K519-F523 VanDerWaalsContact O-CD2 3.25Å; K519-F523 WeakPolarHBondContact O-CD2 3.37Å; K519-F523 PolarHBondContact O-N 3.45Å
520	Q	94.3	Very high	90.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-39.6	-178.1	-73.8	-59.3	-32.4	0	0	112.4	E471 L474 I516 F517 R518 V522 F523 L524	E471-Q520 HydrophobicContact CG-CG 3.77Å; E471-Q520 PolarHBondContact OE1-NE2 3.41Å; L474-Q520 HydrophobicContact CB-CB 4.27Å; L474-Q520 HydrophobicContact CB-CG 4.33Å; L474-Q520 HydrophobicContact CD1-CB 4Å; L474-Q520 HydrophobicContact CD1-CG 4.25Å; I516-Q520 HydrophobicContact CG2-CG 4.4Å; I516-Q520 WeakPolarHBondContact O-CB 3.41Å; I516-Q520 WeakPolarHBondContact O-CG 3.43Å; I516-Q520 PolarHBondContact O-N 3.42Å; F517-Q520 PolarHBondContact O-N 3.28Å; R518-Q520 PolarHBondContact O-N 3.38Å; Q520-V522 VanDerWaalsContact C-N 3.33Å; Q520-V522 PolarHBondContact O-N 3.06Å; Q520-F523 WeakPolarHBondContact O-CB 3.48Å; Q520-F523 PolarHBondContact O-N 2.85Å; Q520-L524 VanDerWaalsContact O-CG 3.22Å; Q520-L524 WeakPolarHBondContact O-CG 3.18Å; Q520-L524 PolarHBondContact O-N 2.82Å
521	A	95.3	Very high	90.7	Very high	1 Å²	1	37 Å²	37	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-55.8	-45.1	173.1	0	0	0	0	0	113.1	F517 R518 K519 L524 L525 L555 L562 I566	F517-A521 WeakPolarHBondContact O-CB 3.4Å; F517-A521 PolarHBondContact O-N 3.39Å; R518-A521 PolarHBondContact O-N 3.46Å; K519-A521 PolarHBondContact O-N 3.31Å; A521-L524 PolarHBondContact O-N 3.03Å; A521-L525 WeakPolarHBondContact O-CG 3.17Å; A521-L525 PolarHBondContact O-N 3.16Å; A521-L525 VanDerWaalsContact O-N 3.13Å; A521-L555 HydrophobicContact CB-CD1 3.84Å; A521-L562 HydrophobicContact CB-CD1 4.28Å; A521-L562 HydrophobicContact CB-CD2 3.83Å; A521-L562 HydrophobicContact CB-CG 4.1Å; A521-I566 HydrophobicContact CB-CD1 3.36Å; A521-I566 HydrophobicContact CB-CG1 4.3Å
522	V	94.7	Very high	90.8	Very high	57 Å²	57	31.3 Å²	31.3	35%	0.345	15%	0.152	S	C	.	.	H	α-helix	trans	-64.2	-44.8	175.8	173.3	0	0	0	0	110.8	R518 K519 Q520 L524 L525 E526 L562	R518-V522 WeakPolarHBondContact O-CG2 3.4Å; R518-V522 PolarHBondContact O-N 2.94Å; R518-V522 VanDerWaalsContact O-N 3.07Å; K519-V522 PolarHBondContact O-N 3.01Å; Q520-V522 VanDerWaalsContact C-N 3.33Å; Q520-V522 PolarHBondContact O-N 3.06Å; V522-L524 VanDerWaalsContact C-N 3.34Å; V522-L524 PolarHBondContact O-N 3.4Å; V522-L525 PolarHBondContact O-N 3.02Å; V522-E526 HydrophobicContact CG1-CG 4.36Å; V522-E526 WeakPolarHBondContact O-CG 3.46Å; V522-E526 PolarHBondContact O-N 3.05Å; V522-L562 HydrophobicContact CG2-CD1 4Å; V522-L562 HydrophobicContact CG2-CD2 4.16Å
523	F	92.5	Very high	91.1	Very high	33 Å²	33	29.2 Å²	29.2	15%	0.145	14%	0.137	C	C	.	.	H	α-helix	trans	-56	-47.7	175	-90.1	-77.4	0	0	0	112	Q378 Q379 L382 K519 Q520 L525 E526 A527	Q378-F523 HydrophobicContact CG-CD1 4.25Å; Q379-F523 VanDerWaalsContact OE1-CE1 3.25Å; Q379-F523 VanDerWaalsContact OE1-CZ 3.27Å; L382-F523 HydrophobicContact CD2-CD1 3.55Å; L382-F523 HydrophobicContact CD2-CE1 3.35Å; L382-F523 HydrophobicContact CD2-CZ 4.36Å; K519-F523 HydrophobicContact CD-CE2 4.43Å; K519-F523 HydrophobicContact CG-CD2 3.9Å; K519-F523 HydrophobicContact CG-CE2 3.78Å; K519-F523 VanDerWaalsContact O-CD2 3.25Å; K519-F523 WeakPolarHBondContact O-CD2 3.37Å; K519-F523 PolarHBondContact O-N 3.45Å; Q520-F523 WeakPolarHBondContact O-CB 3.48Å; Q520-F523 PolarHBondContact O-N 2.85Å; F523-L525 VanDerWaalsContact C-N 3.31Å; F523-L525 PolarHBondContact O-N 3.47Å; F523-E526 PolarHBondContact O-N 3.41Å; F523-A527 WeakPolarHBondContact O-CB 3.42Å; F523-A527 PolarHBondContact O-N 3.17Å
524	L	93.8	Very high	91	Very high	4 Å²	4	29 Å²	29	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-37.5	-178.9	-67.3	170.9	0	0	0	112.2	Q520 A521 V522 S531 L533 G534 F547 L551	Q520-L524 VanDerWaalsContact O-CG 3.22Å; Q520-L524 WeakPolarHBondContact O-CG 3.18Å; Q520-L524 PolarHBondContact O-N 2.82Å; A521-L524 PolarHBondContact O-N 3.03Å; V522-L524 VanDerWaalsContact C-N 3.34Å; V522-L524 PolarHBondContact O-N 3.4Å; L524-S531 WeakPolarHBondContact CA-OG 3.36Å; L524-S531 WeakPolarHBondContact CD2-OG 3.48Å; L524-S531 VanDerWaalsContact O-CB 3.29Å; L524-S531 WeakPolarHBondContact O-CB 3.02Å; L524-S531 PolarHBondContact O-OG 3.38Å; L524-S531 VanDerWaalsContact O-OG 3.14Å; L524-L533 HydrophobicContact CB-CB 4.27Å; L524-L533 HydrophobicContact CB-CD1 4.21Å; L524-L533 HydrophobicContact CD1-CD1 4.26Å; L524-L533 CarbonylContact O-C 3.29Å; L524-G534 PolarHBondContact O-N 2.98Å; L524-F547 HydrophobicContact CD1-CE1 3.83Å; L524-F547 HydrophobicContact CD1-CZ 4.05Å; L524-L551 HydrophobicContact CD1-CD1 4.21Å
525	L	92.1	Very high	90.7	Very high	18 Å²	18	31.3 Å²	31.3	9%	0.094	15%	0.146	C	C	.	.	H	α-helix	trans	-70.5	-35.5	176.9	-73.7	175.1	0	0	0	113.3	A521 V522 F523 L562 K565 I566 R569	A521-L525 WeakPolarHBondContact O-CG 3.17Å; A521-L525 PolarHBondContact O-N 3.16Å; A521-L525 VanDerWaalsContact O-N 3.13Å; V522-L525 PolarHBondContact O-N 3.02Å; F523-L525 VanDerWaalsContact C-N 3.31Å; F523-L525 PolarHBondContact O-N 3.47Å; L525-L562 HydrophobicContact CD1-CD1 3.8Å; L525-K565 HydrophobicContact CD1-CB 4.06Å; L525-I566 HydrophobicContact CD1-CG1 3.98Å; L525-I566 HydrophobicContact CD2-CG1 4.44Å; L525-I566 HydrophobicContact CG-CG1 4.22Å; L525-R569 HydrophobicContact CD2-CB 3.9Å; L525-R569 HydrophobicContact CD2-CG 3.85Å; L525-R569 PolarHBondContact O-NH1 3.44Å; L525-R569 VanDerWaalsContact O-NH1 3.08Å
526	E	90	Very high	90.4	Very high	74 Å²	74	25.2 Å²	25.2	35%	0.346	12%	0.12	S	C	.	.	H	α-helix	trans	-93.8	-18.4	-174.2	-67	-171.3	-178.9	0	0	114.5	L382 F385 R386 V522 F523 G528	L382-E526 HydrophobicContact CD1-CB 3.74Å; L382-E526 WeakPolarHBondContact CD1-O 3.23Å; F385-E526 WeakPolarHBondContact CD1-O 3.5Å; F385-E526 WeakPolarHBondContact CE1-O 3.46Å; R386-E526 IonicContact CZ-OE2 3.4Å; R386-E526 IonicContact NE-OE2 3.6Å; R386-E526 IonicContact NH2-OE2 3.03Å; R386-E526 PolarHBondContact NH2-OE2 3.44Å; V522-E526 HydrophobicContact CG1-CG 4.36Å; V522-E526 WeakPolarHBondContact O-CG 3.46Å; V522-E526 PolarHBondContact O-N 3.05Å; F523-E526 PolarHBondContact O-N 3.41Å; E526-G528 PolarHBondContact O-N 2.9Å
527	A	84.1	Confident	90.2	Very high	5 Å²	5	25 Å²	25	4%	0.041	12%	0.121	C	C	.	.	S	Bend	trans	-69.6	1	-173.3	0	0	0	0	0	115.1	F523 Y530	F523-A527 WeakPolarHBondContact O-CB 3.42Å; F523-A527 PolarHBondContact O-N 3.17Å; A527-Y530 WeakPolarHBondContact O-CD2 3.21Å; A527-Y530 PolarHBondContact O-N 3.3Å
528	G	85.3	Confident	89.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	57.3	-133.3	175.9	0	0	0	0	0	112.5	E526 Y530 S531 G534 I536	E526-G528 PolarHBondContact O-N 2.9Å; G528-Y530 PolarHBondContact O-N 3.33Å; G528-S531 PolarHBondContact O-N 3.02Å; G528-G534 WeakPolarHBondContact O-CA 3.42Å; G528-I536 CarbonylContact C-O 3.55Å
529	P	85.7	Confident	89.3	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.006	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-67.3	-9	-172.8	31.2	-36.9	0	0	0	114.9	F385 T398 I400 Q480 I536	F385-P529 HydrophobicContact CD2-CG 4.38Å; T398-P529 HydrophobicContact CG2-CB 3.92Å; I400-P529 HydrophobicContact CB-CB 4.09Å; I400-P529 HydrophobicContact CB-CG 4.33Å; I400-P529 HydrophobicContact CD1-CG 3.93Å; I400-P529 HydrophobicContact CG2-CB 4.27Å; I400-P529 HydrophobicContact CG2-CG 4.36Å; Q480-P529 WeakPolarHBondContact CB-O 3.38Å; Q480-P529 WeakPolarHBondContact CG-O 3.31Å; P529-I536 WeakPolarHBondContact CA-O 3.36Å
530	Y	88	Confident	89	Confident	41 Å²	41	25.6 Å²	25.6	16%	0.161	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-88	-14.8	-178.1	-54.9	-72.8	0	0	0	113.4	Q381 H384 F385 I400 Q480 A527 G528	Q381-Y530 HydrophobicContact CB-CD1 4.31Å; Q381-Y530 HydrophobicContact CB-CD2 3.69Å; Q381-Y530 HydrophobicContact CB-CE2 4.12Å; Q381-Y530 HydrophobicContact CB-CG 3.79Å; Q381-Y530 HydrophobicContact CG-CD1 3.89Å; Q381-Y530 HydrophobicContact CG-CD2 4.16Å; Q381-Y530 HydrophobicContact CG-CE1 4.16Å; Q381-Y530 HydrophobicContact CG-CE2 4.42Å; Q381-Y530 HydrophobicContact CG-CG 3.88Å; H384-Y530 PolarHBondContact ND1-OH 3.29Å; F385-Y530 HydrophobicContact CB-CE2 4.33Å; I400-Y530 HydrophobicContact CG2-CD1 4.03Å; I400-Y530 HydrophobicContact CG2-CE1 3.56Å; Q480-Y530 PolarHBondContact N-O 3.4Å; A527-Y530 WeakPolarHBondContact O-CD2 3.21Å; A527-Y530 PolarHBondContact O-N 3.3Å; G528-Y530 PolarHBondContact O-N 3.33Å
531	S	91.8	Very high	88.7	Confident	4 Å²	4	25.6 Å²	25.6	3%	0.028	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-114	141.7	175.4	177.8	0	0	0	0	111.5	G478 L524 G528 L533 G534	G478-S531 WeakPolarHBondContact O-CA 3.41Å; G478-S531 PolarHBondContact O-OG 2.65Å; L524-S531 WeakPolarHBondContact CA-OG 3.36Å; L524-S531 WeakPolarHBondContact CD2-OG 3.48Å; L524-S531 VanDerWaalsContact O-CB 3.29Å; L524-S531 WeakPolarHBondContact O-CB 3.02Å; L524-S531 PolarHBondContact O-OG 3.38Å; L524-S531 VanDerWaalsContact O-OG 3.14Å; G528-S531 PolarHBondContact O-N 3.02Å; S531-L533 PolarHBondContact O-N 3.16Å; S531-L533 VanDerWaalsContact O-N 3.17Å; S531-L533 PolarHBondContact OG-N 3.35Å; S531-G534 PolarHBondContact O-N 3.47Å
532	G	89.1	Confident	88.4	Confident	12 Å²	12	26.1 Å²	26.1	12%	0.124	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.5	175.1	0	0	0	0	0	113.5	G478	G478-G532 PolarHBondContact O-N 3.3Å
533	L	91.6	Very high	88.2	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	8.5	174.5	-61.7	174.7	0	0	0	113.1	L524 S531 M544 A548 L551 I566 R569 A570	L524-L533 HydrophobicContact CB-CB 4.27Å; L524-L533 HydrophobicContact CB-CD1 4.21Å; L524-L533 HydrophobicContact CD1-CD1 4.26Å; L524-L533 CarbonylContact O-C 3.29Å; S531-L533 PolarHBondContact O-N 3.16Å; S531-L533 VanDerWaalsContact O-N 3.17Å; S531-L533 PolarHBondContact OG-N 3.35Å; L533-M544 HydrophobicContact CD2-CB 4.01Å; L533-M544 HydrophobicContact CG-CB 4.47Å; L533-M544 HydrophobicContact CG-SD 4.17Å; L533-A548 HydrophobicContact CD2-CB 4.43Å; L533-L551 HydrophobicContact CD1-CD1 4.22Å; L533-I566 HydrophobicContact CD1-CG2 3.91Å; L533-R569 WeakPolarHBondContact O-CG 3.3Å; L533-R569 PolarHBondContact O-NH1 3.37Å; L533-R569 VanDerWaalsContact O-NH1 3.09Å; L533-A570 HydrophobicContact CD2-CB 3.56Å
534	G	88.8	Confident	88.2	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-65.9	166.5	-178.6	0	0	0	0	0	114	L524 G528 S531 I536 R572	L524-G534 PolarHBondContact O-N 2.98Å; G528-G534 WeakPolarHBondContact O-CA 3.42Å; S531-G534 PolarHBondContact O-N 3.47Å; G534-I536 VanDerWaalsContact C-N 3.28Å; G534-I536 PolarHBondContact O-N 2.93Å; G534-R572 PolarHBondContact O-NH1 3.2Å; G534-R572 PolarHBondContact O-NH2 2.62Å
535	E	85.3	Confident	88.2	Confident	53 Å²	53	22.8 Å²	22.8	25%	0.248	11%	0.11	C	C	.	.	S	Bend	trans	-60.7	-37.8	179.7	-73.3	177.9	-167.8	0	0	112.4	K389 L393 R572	K389-E535 WeakPolarHBondContact CE-OE2 3.4Å; K389-E535 VanDerWaalsContact NZ-CD 3.31Å; K389-E535 IonicContact NZ-OE1 3.47Å; K389-E535 PolarHBondContact NZ-OE1 2.96Å; K389-E535 IonicContact NZ-OE2 3.8Å; K389-E535 PolarHBondContact NZ-OE2 3.24Å; K389-E535 VanDerWaalsContact NZ-OE2 3.1Å; L393-E535 HydrophobicContact CD2-CB 4.47Å; E535-R572 PolarHBondContact O-NH1 3.31Å
536	I	84.5	Confident	88.4	Confident	15 Å²	15	22.8 Å²	22.8	8%	0.077	11%	0.111	C	C	.	.	S	Bend	trans	-126.2	132.2	177.7	-50.5	173.1	0	0	0	107.3	L392 L393 T398 G528 P529 G534	L392-I536 HydrophobicContact CB-CD1 3.89Å; L392-I536 VanDerWaalsContact O-CD1 3.3Å; L392-I536 WeakPolarHBondContact O-CD1 3.36Å; L393-I536 HydrophobicContact CD2-CD1 3.81Å; L393-I536 HydrophobicContact CD2-CG1 3.92Å; L393-I536 HydrophobicContact CG-CD1 4.15Å; T398-I536 HydrophobicContact CG2-CG2 3.95Å; G528-I536 CarbonylContact C-O 3.55Å; P529-I536 WeakPolarHBondContact CA-O 3.36Å; G534-I536 VanDerWaalsContact C-N 3.28Å; G534-I536 PolarHBondContact O-N 2.93Å
537	V	86.6	Confident	88.7	Confident	20 Å²	20	19.2 Å²	19.2	12%	0.121	9%	0.094	C	C	.	.			trans	-134.4	147.8	-176.4	179.6	0	0	0	0	108.5	Q480 S541	Q480-V537 HydrophobicContact CG-CG1 4.02Å; V537-S541 WeakPolarHBondContact CG1-OG 3.49Å
538	H	85.7	Confident	89.3	Confident	38 Å²	38	19 Å²	19	18%	0.176	9%	0.092	C	C	.	.			trans	-60.5	141.9	175.9	-179.4	-92.7	0	0	0	110.4	T398 E540 S541	T398-H538 HydrophobicContact CG2-CB 4.34Å; T398-H538 PolarHBondContact O-CD2 2.83Å; H538-E540 PolarHBondContact ND1-N 3.23Å; H538-E540 PolarHBondContact O-N 2.88Å; H538-E540 VanDerWaalsContact O-N 3.16Å; H538-S541 WeakPolarHBondContact CB-OG 3.18Å; H538-S541 PolarHBondContact N-OG 2.94Å; H538-S541 VanDerWaalsContact O-CB 3.28Å; H538-S541 WeakPolarHBondContact O-CB 3.48Å; H538-S541 PolarHBondContact O-N 2.79Å; H538-S541 PolarHBondContact O-OG 3.43Å
539	R	83.8	Confident	89.8	Confident	88 Å²	88	21.9 Å²	21.9	33%	0.332	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.4	-172.1	-175.4	178.1	176.7	170.4	-0.1	113.7	S541 P574 V575	R539-S541 VanDerWaalsContact C-N 3.32Å; R539-P574 CarbonylContact O-C 3.54Å; R539-V575 PolarHBondContact NE-O 3.24Å; R539-V575 PolarHBondContact NH2-O 3.11Å; R539-V575 WeakPolarHBondContact O-CA 3.47Å; R539-V575 PolarHBondContact O-N 2.97Å
540	E	85.6	Confident	90.3	Very high	71 Å²	71	22.7 Å²	22.7	33%	0.332	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	21.6	-177.4	-53.6	-174.5	158.4	0	0	113	V482 M483 H538 P600 W602	V482-E540 WeakPolarHBondContact CA-O 3.45Å; V482-E540 HydrophobicContact CG1-CB 4.12Å; M483-E540 PolarHBondContact N-O 3.02Å; H538-E540 PolarHBondContact ND1-N 3.23Å; H538-E540 PolarHBondContact O-N 2.88Å; H538-E540 VanDerWaalsContact O-N 3.16Å; E540-P600 HydrophobicContact CG-CG 4.1Å; E540-W602 HydrophobicContact CB-CZ2 4.32Å
541	S	88.6	Confident	90.7	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-73.6	143.9	179.7	-53.6	0	0	0	0	111.9	Q480 R481 V537 H538 R539 P543 W602	Q480-S541 PolarHBondContact NE2-OG 3.21Å; R481-S541 CarbonylContact O-C 3.57Å; R481-S541 WeakPolarHBondContact O-CA 3.27Å; V537-S541 WeakPolarHBondContact CG1-OG 3.49Å; H538-S541 WeakPolarHBondContact CB-OG 3.18Å; H538-S541 PolarHBondContact N-OG 2.94Å; H538-S541 VanDerWaalsContact O-CB 3.28Å; H538-S541 WeakPolarHBondContact O-CB 3.48Å; H538-S541 PolarHBondContact O-N 2.79Å; H538-S541 PolarHBondContact O-OG 3.43Å; R539-S541 VanDerWaalsContact C-N 3.32Å; S541-P543 VanDerWaalsContact O-CD 3.27Å; S541-P543 WeakPolarHBondContact O-CD 3.43Å; S541-W602 WeakPolarHBondContact O-CH2 3.48Å
542	V	89.6	Confident	90.9	Very high	11 Å²	11	20.8 Å²	20.8	7%	0.067	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-59.8	120.7	173.3	-178.5	0	0	0	0	109.8	R481 M483	R481-V542 HydrophobicContact CG-CB 4.15Å; R481-V542 HydrophobicContact CG-CG2 3.86Å; R481-V542 PolarHBondContact O-N 3.4Å; M483-V542 HydrophobicContact CB-CG2 4.17Å; M483-V542 HydrophobicContact CE-CB 4.48Å; M483-V542 HydrophobicContact CE-CG1 4.24Å; M483-V542 HydrophobicContact CE-CG2 4.08Å; M483-V542 HydrophobicContact SD-CG2 3.96Å
543	P	90.5	Very high	91.2	Very high	16 Å²	16	24.1 Å²	24.1	10%	0.104	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-68	142.3	176.4	-20.7	34.8	0	0	0	111.8	S541 H545 L573 W602 I608	S541-P543 VanDerWaalsContact O-CD 3.27Å; S541-P543 WeakPolarHBondContact O-CD 3.43Å; P543-H545 WeakPolarHBondContact CB-NE2 3.47Å; P543-L573 HydrophobicContact CB-CD1 4.11Å; P543-L573 HydrophobicContact CG-CD1 3.37Å; P543-W602 HydrophobicContact CG-CH2 4.33Å; P543-W602 HydrophobicContact CG-CZ3 3.92Å; P543-I608 HydrophobicContact CB-CG2 4.07Å; P543-I608 HydrophobicContact CG-CG2 3.88Å
544	M	91.8	Very high	91.4	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.03	12%	0.122	C	C	.	.			trans	-103.7	41.3	-172.6	-62.7	-164	158.9	0	0	113.3	L477 Q479 L533 F547 A548	L477-M544 WeakPolarHBondContact O-CE 3.28Å; Q479-M544 WeakPolarHBondContact O-CE 3.4Å; L533-M544 HydrophobicContact CD2-CB 4.01Å; L533-M544 HydrophobicContact CG-CB 4.47Å; L533-M544 HydrophobicContact CG-SD 4.17Å; M544-F547 HydrophobicContact SD-CD1 4.08Å; M544-A548 WeakPolarHBondContact O-CB 3.4Å; M544-A548 PolarHBondContact O-N 2.7Å
545	H	94.8	Very high	91.6	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.014	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-46.1	-175.5	-54.9	-46.4	0	0	0	112.3	P543 A548 R549 A570 I608 Q611	P543-H545 WeakPolarHBondContact CB-NE2 3.47Å; H545-A548 PolarHBondContact O-N 2.94Å; H545-R549 WeakPolarHBondContact O-CB 3.42Å; H545-R549 PolarHBondContact O-N 3.19Å; H545-A570 PolarHBondContact CE1-O 3.12Å; H545-A570 PolarHBondContact ND1-O 3.49Å; H545-I608 PolarHBondContact CD2-O 3.4Å; H545-Q611 HydrophobicContact CB-CB 3.91Å
546	T	95.1	Very high	92	Very high	17 Å²	17	25 Å²	25	10%	0.104	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-50.3	-179.1	-47.5	0	0	0	0	111.2	L501 R549 Y550 Q611	L501-T546 HydrophobicContact CD1-CG2 3.65Å; T546-R549 PolarHBondContact O-N 2.96Å; T546-Y550 PolarHBondContact O-N 3.32Å; T546-Y550 VanDerWaalsContact O-N 3.1Å; T546-Q611 WeakPolarHBondContact OG1-CG 3.49Å
547	F	96.2	Very high	92.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-44.1	174.7	177.4	-135.9	0	0	0	113.2	L474 L477 E497 L501 L524 M544 R549 Y550 L551	L474-F547 HydrophobicContact CD2-CE2 3.72Å; L474-F547 HydrophobicContact CD2-CZ 3.98Å; L477-F547 HydrophobicContact CB-CD1 3.93Å; L477-F547 HydrophobicContact CB-CD2 3.73Å; L477-F547 HydrophobicContact CB-CE1 3.87Å; L477-F547 HydrophobicContact CB-CE2 3.64Å; L477-F547 HydrophobicContact CB-CG 3.86Å; L477-F547 HydrophobicContact CB-CZ 3.71Å; L477-F547 HydrophobicContact CD1-CD2 3.85Å; L477-F547 HydrophobicContact CD1-CE2 3.79Å; L477-F547 HydrophobicContact CG-CD2 4.31Å; L477-F547 HydrophobicContact CG-CE2 4.36Å; E497-F547 WeakPolarHBondContact OE1-CB 3.36Å; E497-F547 PolarHBondContact OE1-N 2.91Å; L501-F547 HydrophobicContact CD2-CD2 3.99Å; L524-F547 HydrophobicContact CD1-CE1 3.83Å; L524-F547 HydrophobicContact CD1-CZ 4.05Å; M544-F547 HydrophobicContact SD-CD1 4.08Å; F547-R549 VanDerWaalsContact C-N 3.31Å; F547-R549 PolarHBondContact O-N 2.62Å; F547-Y550 WeakPolarHBondContact O-CB 3.39Å; F547-Y550 PolarHBondContact O-N 2.94Å; F547-L551 HydrophobicContact CD1-CD1 4.29Å; F547-L551 HydrophobicContact CD2-CD1 4.38Å; F547-L551 HydrophobicContact CD2-CG 4.13Å; F547-L551 HydrophobicContact CE1-CD1 3.78Å; F547-L551 HydrophobicContact CE1-CG 4.5Å; F547-L551 HydrophobicContact CE2-CD1 3.9Å; F547-L551 HydrophobicContact CE2-CD2 4Å; F547-L551 HydrophobicContact CE2-CG 3.73Å; F547-L551 HydrophobicContact CZ-CD1 3.58Å; F547-L551 HydrophobicContact CZ-CD2 4.2Å; F547-L551 HydrophobicContact CZ-CG 3.94Å; F547-L551 PolarHBondContact O-N 3.41Å
548	A	96.4	Very high	92.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.2	-34.4	178.5	0	0	0	0	0	112.6	L533 M544 H545 L551 F552 I566 A570 L615	L533-A548 HydrophobicContact CD2-CB 4.43Å; M544-A548 WeakPolarHBondContact O-CB 3.4Å; M544-A548 PolarHBondContact O-N 2.7Å; H545-A548 PolarHBondContact O-N 2.94Å; A548-L551 PolarHBondContact O-N 3.46Å; A548-F552 VanDerWaalsContact O-CB 3.25Å; A548-F552 WeakPolarHBondContact O-CB 3.42Å; A548-F552 PolarHBondContact O-N 3Å; A548-I566 HydrophobicContact CB-CG2 4.14Å; A548-A570 HydrophobicContact CB-CB 3.18Å; A548-L615 HydrophobicContact CB-CD2 4.27Å
549	R	97.1	Very high	93.1	Very high	60 Å²	60	32.4 Å²	32.4	23%	0.226	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-43.3	172.6	-176.6	178.8	59.1	-172.7	-12	111.3	H545 T546 F547 F552 T553 E614 L615 T618	H545-R549 WeakPolarHBondContact O-CB 3.42Å; H545-R549 PolarHBondContact O-N 3.19Å; T546-R549 PolarHBondContact O-N 2.96Å; F547-R549 VanDerWaalsContact C-N 3.31Å; F547-R549 PolarHBondContact O-N 2.62Å; R549-F552 WeakPolarHBondContact O-CB 3.49Å; R549-F552 PolarHBondContact O-N 2.96Å; R549-T553 PolarHBondContact O-N 3.26Å; R549-T553 PolarHBondContact O-OG1 3.33Å; R549-T553 VanDerWaalsContact O-OG1 3.1Å; R549-E614 IonicContact CZ-OE2 3.43Å; R549-E614 IonicContact NH1-OE2 2.77Å; R549-E614 PolarHBondContact NH1-OE2 3.49Å; R549-E614 IonicContact NH2-OE2 2.88Å; R549-L615 HydrophobicContact CB-CD1 3.81Å; R549-L615 HydrophobicContact CG-CD1 4.42Å; R549-T618 HydrophobicContact CG-CG2 4.16Å
550	Y	96.4	Very high	93.6	Very high	18 Å²	18	29.3 Å²	29.3	7%	0.071	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-49.2	174.7	173	-105.1	0	0	0	111.4	L501 L504 Q505 F517 T546 F547 F552 T553 S554	L501-Y550 HydrophobicContact CD2-CD1 3.63Å; L501-Y550 HydrophobicContact CD2-CE1 4.34Å; L501-Y550 HydrophobicContact CD2-CG 3.75Å; L504-Y550 HydrophobicContact CB-CE1 4.13Å; L504-Y550 WeakPolarHBondContact CB-OH 3.32Å; L504-Y550 HydrophobicContact CD1-CE1 4.15Å; L504-Y550 PolarHBondContact O-OH 2.94Å; L504-Y550 VanDerWaalsContact O-OH 3.08Å; Q505-Y550 HydrophobicContact CG-CD2 3.94Å; Q505-Y550 HydrophobicContact CG-CE2 3.57Å; F517-Y550 AromaticContact CE1-CE1 3.68Å; F517-Y550 HydrophobicContact CE1-CE1 3.68Å; F517-Y550 AromaticContact CZ-CE1 3.92Å; F517-Y550 HydrophobicContact CZ-CE1 3.92Å; F517-Y550 WeakPolarHBondContact CZ-OH 3.41Å; T546-Y550 PolarHBondContact O-N 3.32Å; T546-Y550 VanDerWaalsContact O-N 3.1Å; F547-Y550 WeakPolarHBondContact O-CB 3.39Å; F547-Y550 PolarHBondContact O-N 2.94Å; Y550-F552 VanDerWaalsContact C-N 3.3Å; Y550-F552 PolarHBondContact O-N 2.86Å; Y550-T553 PolarHBondContact O-N 3.42Å; Y550-S554 WeakPolarHBondContact O-CB 3.46Å; Y550-S554 PolarHBondContact O-N 3.39Å; Y550-S554 PolarHBondContact O-OG 3.3Å; Y550-S554 VanDerWaalsContact O-OG 3.08Å
551	L	95.8	Very high	93.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-41.7	175.4	-73.7	179.6	0	0	0	112.4	L474 F517 L524 L533 F547 A548 L555 I566	L474-L551 HydrophobicContact CD2-CD2 3.92Å; F517-L551 HydrophobicContact CD1-CD2 3.76Å; F517-L551 HydrophobicContact CE1-CD2 3.98Å; L524-L551 HydrophobicContact CD1-CD1 4.21Å; L533-L551 HydrophobicContact CD1-CD1 4.22Å; F547-L551 HydrophobicContact CD1-CD1 4.29Å; F547-L551 HydrophobicContact CD2-CD1 4.38Å; F547-L551 HydrophobicContact CD2-CG 4.13Å; F547-L551 HydrophobicContact CE1-CD1 3.78Å; F547-L551 HydrophobicContact CE1-CG 4.5Å; F547-L551 HydrophobicContact CE2-CD1 3.9Å; F547-L551 HydrophobicContact CE2-CD2 4Å; F547-L551 HydrophobicContact CE2-CG 3.73Å; F547-L551 HydrophobicContact CZ-CD1 3.58Å; F547-L551 HydrophobicContact CZ-CD2 4.2Å; F547-L551 HydrophobicContact CZ-CG 3.94Å; F547-L551 PolarHBondContact O-N 3.41Å; A548-L551 PolarHBondContact O-N 3.46Å; L551-L555 VanDerWaalsContact O-CB 3.26Å; L551-L555 WeakPolarHBondContact O-CB 3.43Å; L551-L555 WeakPolarHBondContact O-CG 3.27Å; L551-L555 PolarHBondContact O-N 2.86Å; L551-I566 HydrophobicContact CB-CD1 4.4Å; L551-I566 HydrophobicContact CB-CG2 4.29Å; L551-I566 HydrophobicContact CD1-CD1 4.41Å; L551-I566 HydrophobicContact CD1-CG2 4.14Å
552	F	96.5	Very high	94.2	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-54.2	177.6	179	-100.7	0	0	0	110.8	A548 R549 Y550 S554 L555 L556 A563 Y564 A567 M619 A622	A548-F552 VanDerWaalsContact O-CB 3.25Å; A548-F552 WeakPolarHBondContact O-CB 3.42Å; A548-F552 PolarHBondContact O-N 3Å; R549-F552 WeakPolarHBondContact O-CB 3.49Å; R549-F552 PolarHBondContact O-N 2.96Å; Y550-F552 VanDerWaalsContact C-N 3.3Å; Y550-F552 PolarHBondContact O-N 2.86Å; F552-S554 PolarHBondContact O-N 3.37Å; F552-L555 PolarHBondContact O-N 3.14Å; F552-L556 HydrophobicContact CE1-CD2 4.18Å; F552-L556 HydrophobicContact CE2-CD1 4.3Å; F552-L556 HydrophobicContact CZ-CD1 4.02Å; F552-L556 HydrophobicContact CZ-CD2 4.34Å; F552-L556 WeakPolarHBondContact O-CB 3.48Å; F552-L556 PolarHBondContact O-N 3.43Å; F552-A563 HydrophobicContact CD2-CB 3.78Å; F552-A563 WeakPolarHBondContact CD2-O 3.28Å; F552-A563 HydrophobicContact CE2-CB 4.16Å; F552-Y564 HydrophobicContact CE2-CD1 4.04Å; F552-Y564 HydrophobicContact CE2-CD2 4.09Å; F552-Y564 AromaticContact CE2-CE1 4Å; F552-Y564 HydrophobicContact CE2-CE1 4Å; F552-Y564 HydrophobicContact CE2-CE2 4.01Å; F552-Y564 HydrophobicContact CE2-CG 4.07Å; F552-Y564 AromaticContact CE2-CZ 3.96Å; F552-Y564 HydrophobicContact CZ-CE1 4.07Å; F552-Y564 HydrophobicContact CZ-CE2 4.14Å; F552-Y564 AromaticContact CZ-CZ 3.82Å; F552-A567 HydrophobicContact CB-CB 4.32Å; F552-A567 HydrophobicContact CD2-CB 3.68Å; F552-A567 HydrophobicContact CE2-CB 4.33Å; F552-A567 HydrophobicContact CG-CB 4.19Å; F552-M619 HydrophobicContact CE1-CG 4.46Å; F552-M619 HydrophobicContact CE2-CG 4.22Å; F552-M619 HydrophobicContact CZ-CG 4.17Å; F552-A622 HydrophobicContact CE1-CB 3.77Å; F552-A622 HydrophobicContact CZ-CB 3.61Å
553	T	95.3	Very high	94.5	Very high	82 Å²	82	30.7 Å²	30.7	50%	0.503	17%	0.167	S	C	.	.	H	α-helix	trans	-63.2	-40	-178.9	-54	0	0	0	0	112.3	R549 Y550 P557	R549-T553 PolarHBondContact O-N 3.26Å; R549-T553 PolarHBondContact O-OG1 3.33Å; R549-T553 VanDerWaalsContact O-OG1 3.1Å; Y550-T553 PolarHBondContact O-N 3.42Å; T553-P557 WeakPolarHBondContact O-CD 3.38Å
554	S	94.1	Very high	94.8	Very high	17 Å²	17	30.3 Å²	30.3	12%	0.119	16%	0.163	C	C	.	.	H	α-helix	trans	-70	-37.2	179.6	-61.3	0	0	0	0	113.1	Y550 F552 H558	Y550-S554 WeakPolarHBondContact O-CB 3.46Å; Y550-S554 PolarHBondContact O-N 3.39Å; Y550-S554 PolarHBondContact O-OG 3.3Å; Y550-S554 VanDerWaalsContact O-OG 3.08Å; F552-S554 PolarHBondContact O-N 3.37Å; S554-H558 PolarHBondContact O-ND1 3.06Å
555	L	94.3	Very high	95	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-88.2	-23	-178.3	-73.7	171.2	0	0	0	113.7	F517 R518 A521 L551 F552 P557 H558 D559 L562 A563 I566	F517-L555 HydrophobicContact CB-CD2 3.82Å; F517-L555 HydrophobicContact CB-CG 4.41Å; R518-L555 HydrophobicContact CG-CD2 3.83Å; A521-L555 HydrophobicContact CB-CD1 3.84Å; L551-L555 VanDerWaalsContact O-CB 3.26Å; L551-L555 WeakPolarHBondContact O-CB 3.43Å; L551-L555 WeakPolarHBondContact O-CG 3.27Å; L551-L555 PolarHBondContact O-N 2.86Å; F552-L555 PolarHBondContact O-N 3.14Å; L555-P557 VanDerWaalsContact C-CD 3.49Å; L555-H558 CarbonylContact O-C 3.16Å; L555-H558 PolarHBondContact O-N 3.35Å; L555-D559 CarbonylContact O-C 3.55Å; L555-D559 PolarHBondContact O-N 3.15Å; L555-L562 HydrophobicContact CD1-CD2 4.43Å; L555-A563 HydrophobicContact CB-CB 4.06Å; L555-I566 HydrophobicContact CD1-CD1 3.74Å
556	L	94.3	Very high	95	Very high	54 Å²	54	35 Å²	35	28%	0.283	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-43.7	-174.5	-178.7	69.5	0	0	0	114.3	F552 H558 A560 Y564 A622	F552-L556 HydrophobicContact CE1-CD2 4.18Å; F552-L556 HydrophobicContact CE2-CD1 4.3Å; F552-L556 HydrophobicContact CZ-CD1 4.02Å; F552-L556 HydrophobicContact CZ-CD2 4.34Å; F552-L556 WeakPolarHBondContact O-CB 3.48Å; F552-L556 PolarHBondContact O-N 3.43Å; L556-H558 PolarHBondContact O-N 3.2Å; L556-A560 HydrophobicContact CD1-CB 4.16Å; L556-Y564 HydrophobicContact CD1-CE2 4.06Å; L556-A622 HydrophobicContact CD1-CB 4.33Å; L556-A622 HydrophobicContact CD2-CB 3.63Å
557	P	93.3	Very high	95	Very high	103 Å²	103	34.1 Å²	34.1	67%	0.669	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.6	178	-19.7	33.4	0	0	0	113.9	T553 L555	T553-P557 WeakPolarHBondContact O-CD 3.38Å; L555-P557 VanDerWaalsContact C-CD 3.49Å
558	H	92.3	Very high	94.9	Very high	74 Å²	74	36.3 Å²	36.3	34%	0.343	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-40.2	-168.3	-56	99.2	0	0	0	112.9	V514 R518 S554 L555 L556	V514-H558 HydrophobicContact CG1-CB 3.8Å; R518-H558 PolarHBondContact NH2-O 3.29Å; S554-H558 PolarHBondContact O-ND1 3.06Å; L555-H558 CarbonylContact O-C 3.16Å; L555-H558 PolarHBondContact O-N 3.35Å; L556-H558 PolarHBondContact O-N 3.2Å
559	D	93.4	Very high	94.8	Very high	52 Å²	52	39.2 Å²	39.2	28%	0.278	20%	0.201	S	C	.	.			trans	-152.3	85.8	-179.9	-172.2	-17.3	0	0	0	109.6	L555 E561 L562 A563	L555-D559 CarbonylContact O-C 3.55Å; L555-D559 PolarHBondContact O-N 3.15Å; D559-E561 VanDerWaalsContact C-N 3.32Å; D559-E561 PolarHBondContact O-N 2.91Å; D559-E561 PolarHBondContact OD1-N 3.43Å; D559-L562 HydrophobicContact CB-CB 4.18Å; D559-L562 VanDerWaalsContact CG-CB 3.42Å; D559-L562 PolarHBondContact O-N 3.17Å; D559-L562 WeakPolarHBondContact OD1-CB 3.37Å; D559-L562 PolarHBondContact OD1-N 3.33Å; D559-L562 WeakPolarHBondContact OD2-CB 3.45Å; D559-A563 WeakPolarHBondContact O-CB 2.97Å; D559-A563 PolarHBondContact O-N 2.92Å; D559-A563 VanDerWaalsContact O-N 3.07Å
560	A	93.4	Very high	94.6	Very high	23 Å²	23	36.7 Å²	36.7	19%	0.19	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-36.8	-178	0	0	0	0	0	112.5	L556 A563 Y564	L556-A560 HydrophobicContact CD1-CB 4.16Å; A560-A563 PolarHBondContact O-N 3.24Å; A560-Y564 VanDerWaalsContact O-CD2 3.23Å; A560-Y564 WeakPolarHBondContact O-CD2 3.38Å; A560-Y564 PolarHBondContact O-N 2.94Å
561	E	94	Very high	94.4	Very high	98 Å²	98	35.8 Å²	35.8	46%	0.458	19%	0.189	S	C	.	.	H	α-helix	trans	-65.3	-44.1	-178.1	179.6	63.8	-169.7	0	0	111.6	D559 K565	D559-E561 VanDerWaalsContact C-N 3.32Å; D559-E561 PolarHBondContact O-N 2.91Å; D559-E561 PolarHBondContact OD1-N 3.43Å; E561-K565 WeakPolarHBondContact O-CG 3.43Å; E561-K565 PolarHBondContact O-N 3.04Å; E561-K565 VanDerWaalsContact O-N 3.13Å; E561-K565 WeakPolarHBondContact OE1-CE 3.4Å; E561-K565 IonicContact OE1-NZ 3.63Å; E561-K565 PolarHBondContact OE1-NZ 3.1Å
562	L	94.8	Very high	94.1	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-42	174.7	-177	59	0	0	0	111.6	R518 A521 V522 L525 L555 D559 Y564 K565 I566	R518-L562 HydrophobicContact CB-CD2 4.18Å; R518-L562 HydrophobicContact CG-CD2 4.19Å; A521-L562 HydrophobicContact CB-CD1 4.28Å; A521-L562 HydrophobicContact CB-CD2 3.83Å; A521-L562 HydrophobicContact CB-CG 4.1Å; V522-L562 HydrophobicContact CG2-CD1 4Å; V522-L562 HydrophobicContact CG2-CD2 4.16Å; L525-L562 HydrophobicContact CD1-CD1 3.8Å; L555-L562 HydrophobicContact CD1-CD2 4.43Å; D559-L562 HydrophobicContact CB-CB 4.18Å; D559-L562 VanDerWaalsContact CG-CB 3.42Å; D559-L562 PolarHBondContact O-N 3.17Å; D559-L562 WeakPolarHBondContact OD1-CB 3.37Å; D559-L562 PolarHBondContact OD1-N 3.33Å; D559-L562 WeakPolarHBondContact OD2-CB 3.45Å; L562-Y564 PolarHBondContact O-N 3.41Å; L562-K565 PolarHBondContact O-N 3.49Å; L562-I566 HydrophobicContact CG-CD1 4.31Å; L562-I566 WeakPolarHBondContact O-CG1 3.25Å; L562-I566 PolarHBondContact O-N 3.17Å
563	A	95.9	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-49.8	177.6	0	0	0	0	0	111.7	F552 L555 D559 A560 K565 I566 A567	F552-A563 HydrophobicContact CD2-CB 3.78Å; F552-A563 WeakPolarHBondContact CD2-O 3.28Å; F552-A563 HydrophobicContact CE2-CB 4.16Å; L555-A563 HydrophobicContact CB-CB 4.06Å; D559-A563 WeakPolarHBondContact O-CB 2.97Å; D559-A563 PolarHBondContact O-N 2.92Å; D559-A563 VanDerWaalsContact O-N 3.07Å; A560-A563 PolarHBondContact O-N 3.24Å; A563-K565 PolarHBondContact O-N 2.92Å; A563-I566 PolarHBondContact O-N 3.05Å; A563-A567 PolarHBondContact O-N 3.14Å
564	Y	95.9	Very high	92.7	Very high	8 Å²	8	35.4 Å²	35.4	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-39.3	177.5	-85.4	-78.9	0	0	0	112.5	F552 L556 A560 L562 I566 A567 L568 M619 A622 A623 V633	F552-Y564 HydrophobicContact CE2-CD1 4.04Å; F552-Y564 HydrophobicContact CE2-CD2 4.09Å; F552-Y564 AromaticContact CE2-CE1 4Å; F552-Y564 HydrophobicContact CE2-CE1 4Å; F552-Y564 HydrophobicContact CE2-CE2 4.01Å; F552-Y564 HydrophobicContact CE2-CG 4.07Å; F552-Y564 AromaticContact CE2-CZ 3.96Å; F552-Y564 HydrophobicContact CZ-CE1 4.07Å; F552-Y564 HydrophobicContact CZ-CE2 4.14Å; F552-Y564 AromaticContact CZ-CZ 3.82Å; L556-Y564 HydrophobicContact CD1-CE2 4.06Å; A560-Y564 VanDerWaalsContact O-CD2 3.23Å; A560-Y564 WeakPolarHBondContact O-CD2 3.38Å; A560-Y564 PolarHBondContact O-N 2.94Å; L562-Y564 PolarHBondContact O-N 3.41Å; Y564-I566 VanDerWaalsContact C-N 3.35Å; Y564-I566 PolarHBondContact O-N 3.33Å; Y564-A567 PolarHBondContact O-N 3.18Å; Y564-L568 VanDerWaalsContact O-CB 3.26Å; Y564-L568 WeakPolarHBondContact O-CB 3.36Å; Y564-L568 WeakPolarHBondContact O-CD1 3.41Å; Y564-L568 WeakPolarHBondContact O-CG 3.37Å; Y564-L568 PolarHBondContact O-N 3.06Å; Y564-M619 HydrophobicContact CE1-CB 4.29Å; Y564-M619 PolarHBondContact OH-O 2.99Å; Y564-A622 VanDerWaalsContact OH-CB 3.29Å; Y564-A622 WeakPolarHBondContact OH-CB 3.49Å; Y564-A622 PolarHBondContact OH-O 3.42Å; Y564-A623 HydrophobicContact CE1-CB 4.34Å; Y564-A623 VanDerWaalsContact OH-CA 3.24Å; Y564-A623 WeakPolarHBondContact OH-CA 3.43Å; Y564-A623 WeakPolarHBondContact OH-CB 3.35Å; Y564-A623 PolarHBondContact OH-N 3.35Å; Y564-V633 HydrophobicContact CD1-CG2 4.22Å; Y564-V633 HydrophobicContact CE1-CG2 3.93Å
565	K	95.1	Very high	91.9	Very high	107 Å²	107	34.8 Å²	34.8	47%	0.465	18%	0.176	S	C	.	.	H	α-helix	trans	-59.4	-43.4	175.6	-78.1	172.3	-179.4	154.9	0	112.5	L525 E561 L562 A563 R569	L525-K565 HydrophobicContact CD1-CB 4.06Å; E561-K565 WeakPolarHBondContact O-CG 3.43Å; E561-K565 PolarHBondContact O-N 3.04Å; E561-K565 VanDerWaalsContact O-N 3.13Å; E561-K565 WeakPolarHBondContact OE1-CE 3.4Å; E561-K565 IonicContact OE1-NZ 3.63Å; E561-K565 PolarHBondContact OE1-NZ 3.1Å; L562-K565 PolarHBondContact O-N 3.49Å; A563-K565 PolarHBondContact O-N 2.92Å; K565-R569 WeakPolarHBondContact O-CB 3.35Å; K565-R569 PolarHBondContact O-N 3.37Å; K565-R569 VanDerWaalsContact O-N 3.1Å
566	I	95.6	Very high	90.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-51.6	176	-65.9	166.9	0	0	0	110.7	A521 L525 L533 A548 L551 L555 L562 A563 Y564 R569 A570	A521-I566 HydrophobicContact CB-CD1 3.36Å; A521-I566 HydrophobicContact CB-CG1 4.3Å; L525-I566 HydrophobicContact CD1-CG1 3.98Å; L525-I566 HydrophobicContact CD2-CG1 4.44Å; L525-I566 HydrophobicContact CG-CG1 4.22Å; L533-I566 HydrophobicContact CD1-CG2 3.91Å; A548-I566 HydrophobicContact CB-CG2 4.14Å; L551-I566 HydrophobicContact CB-CD1 4.4Å; L551-I566 HydrophobicContact CB-CG2 4.29Å; L551-I566 HydrophobicContact CD1-CD1 4.41Å; L551-I566 HydrophobicContact CD1-CG2 4.14Å; L555-I566 HydrophobicContact CD1-CD1 3.74Å; L562-I566 HydrophobicContact CG-CD1 4.31Å; L562-I566 WeakPolarHBondContact O-CG1 3.25Å; L562-I566 PolarHBondContact O-N 3.17Å; A563-I566 PolarHBondContact O-N 3.05Å; Y564-I566 VanDerWaalsContact C-N 3.35Å; Y564-I566 PolarHBondContact O-N 3.33Å; I566-R569 WeakPolarHBondContact O-CB 3.49Å; I566-R569 PolarHBondContact O-N 3.14Å; I566-A570 WeakPolarHBondContact O-CB 3.49Å; I566-A570 PolarHBondContact O-N 3.43Å
567	A	95.9	Very high	89.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-46.7	-175.1	0	0	0	0	0	111.4	F552 A563 Y564 R569 A570 M571 L615 M619	F552-A567 HydrophobicContact CB-CB 4.32Å; F552-A567 HydrophobicContact CD2-CB 3.68Å; F552-A567 HydrophobicContact CE2-CB 4.33Å; F552-A567 HydrophobicContact CG-CB 4.19Å; A563-A567 PolarHBondContact O-N 3.14Å; Y564-A567 PolarHBondContact O-N 3.18Å; A567-R569 VanDerWaalsContact C-N 3.3Å; A567-R569 PolarHBondContact O-N 2.87Å; A567-A570 PolarHBondContact O-N 3.1Å; A567-A570 VanDerWaalsContact O-N 3.15Å; A567-M571 WeakPolarHBondContact O-CG 3.46Å; A567-M571 PolarHBondContact O-N 3.28Å; A567-M571 VanDerWaalsContact O-N 3.07Å; A567-L615 HydrophobicContact CB-CD1 4.06Å; A567-M619 HydrophobicContact CB-CE 4.48Å; A567-M619 HydrophobicContact CB-CG 3.8Å; A567-M619 HydrophobicContact CB-SD 3.45Å; A567-M619 WeakPolarHBondContact CB-SD 3.36Å
568	L	94.4	Very high	87.3	Confident	46 Å²	46	38 Å²	38	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-38.1	175.2	-70.2	167	0	0	0	112.3	Y564 M571 M619	Y564-L568 VanDerWaalsContact O-CB 3.26Å; Y564-L568 WeakPolarHBondContact O-CB 3.36Å; Y564-L568 WeakPolarHBondContact O-CD1 3.41Å; Y564-L568 WeakPolarHBondContact O-CG 3.37Å; Y564-L568 PolarHBondContact O-N 3.06Å; L568-M571 PolarHBondContact O-N 2.69Å; L568-M619 HydrophobicContact CD2-CE 3.55Å; L568-M619 HydrophobicContact CG-CE 3.99Å
569	R	92.5	Very high	84.8	Confident	61 Å²	61	38.8 Å²	38.8	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-68.3	-37.2	176.8	-175.7	67.4	68.9	81.9	-6.4	112.2	L525 L533 K565 I566 A567 M571 R572	L525-R569 HydrophobicContact CD2-CB 3.9Å; L525-R569 HydrophobicContact CD2-CG 3.85Å; L525-R569 PolarHBondContact O-NH1 3.44Å; L525-R569 VanDerWaalsContact O-NH1 3.08Å; L533-R569 WeakPolarHBondContact O-CG 3.3Å; L533-R569 PolarHBondContact O-NH1 3.37Å; L533-R569 VanDerWaalsContact O-NH1 3.09Å; K565-R569 WeakPolarHBondContact O-CB 3.35Å; K565-R569 PolarHBondContact O-N 3.37Å; K565-R569 VanDerWaalsContact O-N 3.1Å; I566-R569 WeakPolarHBondContact O-CB 3.49Å; I566-R569 PolarHBondContact O-N 3.14Å; A567-R569 VanDerWaalsContact C-N 3.3Å; A567-R569 PolarHBondContact O-N 2.87Å; R569-M571 VanDerWaalsContact C-N 3.32Å; R569-R572 PolarHBondContact O-NE 3.07Å; R569-R572 PolarHBondContact O-NH2 2.93Å
570	A	94.6	Very high	82	Confident	6 Å²	6	40 Å²	40	5%	0.05	22%	0.22	C	C	.	.	H	α-helix	trans	-75.3	-18.3	179.1	0	0	0	0	0	113.5	L533 H545 A548 I566 A567 R572 L615	L533-A570 HydrophobicContact CD2-CB 3.56Å; H545-A570 PolarHBondContact CE1-O 3.12Å; H545-A570 PolarHBondContact ND1-O 3.49Å; A548-A570 HydrophobicContact CB-CB 3.18Å; I566-A570 WeakPolarHBondContact O-CB 3.49Å; I566-A570 PolarHBondContact O-N 3.43Å; A567-A570 PolarHBondContact O-N 3.1Å; A567-A570 VanDerWaalsContact O-N 3.15Å; A570-R572 PolarHBondContact O-N 3.43Å; A570-L615 HydrophobicContact CB-CD2 3.99Å
571	M	92.1	Very high	79.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.7	177.2	-76.6	-58.3	-62.6	0	0	113.4	A567 L568 R569 Q612 L615 A616 M619 N640 I641	A567-M571 WeakPolarHBondContact O-CG 3.46Å; A567-M571 PolarHBondContact O-N 3.28Å; A567-M571 VanDerWaalsContact O-N 3.07Å; L568-M571 PolarHBondContact O-N 2.69Å; R569-M571 VanDerWaalsContact C-N 3.32Å; M571-Q612 HydrophobicContact CE-CG 3.83Å; M571-Q612 PolarHBondContact O-NE2 2.9Å; M571-Q612 HydrophobicContact SD-CG 4.29Å; M571-L615 HydrophobicContact CG-CD2 4.44Å; M571-L615 HydrophobicContact SD-CB 4.35Å; M571-L615 HydrophobicContact SD-CD2 3.85Å; M571-L615 HydrophobicContact SD-CG 4Å; M571-A616 HydrophobicContact CE-CB 3.82Å; M571-A616 HydrophobicContact SD-CB 4.14Å; M571-M619 HydrophobicContact CG-CE 4.49Å; M571-M619 HydrophobicContact CG-SD 4.26Å; M571-M619 HydrophobicContact SD-SD 4.4Å; M571-N640 HydrophobicContact CB-CB 4.33Å; M571-N640 VanDerWaalsContact O-CB 3.25Å; M571-N640 WeakPolarHBondContact O-CB 3.4Å; M571-I641 HydrophobicContact CE-CD1 3.66Å; M571-I641 HydrophobicContact CE-CG1 3.68Å
572	R	89.7	Confident	76.6	Confident	54 Å²	54	46 Å²	46	20%	0.204	27%	0.271	C	S	.	.			trans	-64.4	142.6	-179.9	-63.1	174.9	-62.9	163	16	111.2	G534 E535 R569 A570	G534-R572 PolarHBondContact O-NH1 3.2Å; G534-R572 PolarHBondContact O-NH2 2.62Å; E535-R572 PolarHBondContact O-NH1 3.31Å; R569-R572 PolarHBondContact O-NE 3.07Å; R569-R572 PolarHBondContact O-NH2 2.93Å; A570-R572 PolarHBondContact O-N 3.43Å
573	L	84.4	Confident	73.6	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	30%	0.298	C	S	.	.			trans	-124.5	79.7	175	-173.1	53.7	0	0	0	109	P543 V575 L576 W602 L605 I608	P543-L573 HydrophobicContact CB-CD1 4.11Å; P543-L573 HydrophobicContact CG-CD1 3.37Å; L573-V575 HydrophobicContact CD1-CG1 4.09Å; L573-V575 HydrophobicContact CG-CG1 4.05Å; L573-V575 PolarHBondContact O-N 3.38Å; L573-L576 HydrophobicContact CD2-CD1 3.54Å; L573-L576 HydrophobicContact CD2-CG 4.01Å; L573-L576 HydrophobicContact CG-CD1 4.2Å; L573-L576 HydrophobicContact CG-CG 4.15Å; L573-L576 PolarHBondContact O-N 3.38Å; L573-W602 HydrophobicContact CD1-CZ3 4.28Å; L573-L605 HydrophobicContact CD2-CD1 4.42Å; L573-I608 HydrophobicContact CD1-CG2 4.17Å
574	P	77	Confident	70.2	Confident	20 Å²	20	54.9 Å²	54.9	13%	0.13	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-55.2	-26.8	-167.1	-28.4	35.9	0	0	0	114.9	R539 L576 E577	R539-P574 CarbonylContact O-C 3.54Å; P574-L576 VanDerWaalsContact C-N 3.27Å; P574-L576 PolarHBondContact O-N 3.42Å; P574-E577 PolarHBondContact O-N 2.95Å
575	V	76.6	Confident	67.3	Low	5 Å²	5	63.3 Å²	63.3	3%	0.03	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-62.8	-34.2	178.9	73.8	0	0	0	0	112.5	R539 L573 Y599 P600 W602	R539-V575 PolarHBondContact NE-O 3.24Å; R539-V575 PolarHBondContact NH2-O 3.11Å; R539-V575 WeakPolarHBondContact O-CA 3.47Å; R539-V575 PolarHBondContact O-N 2.97Å; L573-V575 HydrophobicContact CD1-CG1 4.09Å; L573-V575 HydrophobicContact CG-CG1 4.05Å; L573-V575 PolarHBondContact O-N 3.38Å; V575-Y599 HydrophobicContact CG2-CD1 4.44Å; V575-Y599 WeakPolarHBondContact O-CE1 3.31Å; V575-P600 HydrophobicContact CG2-CG 3.9Å; V575-W602 HydrophobicContact CB-CE3 4.45Å; V575-W602 HydrophobicContact CB-CH2 3.73Å; V575-W602 HydrophobicContact CB-CZ2 4.14Å; V575-W602 HydrophobicContact CB-CZ3 3.9Å; V575-W602 HydrophobicContact CG1-CE3 3.95Å; V575-W602 HydrophobicContact CG1-CH2 3.95Å; V575-W602 HydrophobicContact CG1-CZ3 3.56Å; V575-W602 HydrophobicContact CG2-CH2 4.21Å; V575-W602 HydrophobicContact CG2-CZ2 4.13Å; V575-W602 HydrophobicContact CG2-CZ3 4.44Å
576	L	70.8	Confident	64	Low	46 Å²	46	62.6 Å²	62.6	24%	0.241	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-92.4	-8	-179	-60.6	-173.7	0	0	0	113.3	L573 P574 S578 Y599	L573-L576 HydrophobicContact CD2-CD1 3.54Å; L573-L576 HydrophobicContact CD2-CG 4.01Å; L573-L576 HydrophobicContact CG-CD1 4.2Å; L573-L576 HydrophobicContact CG-CG 4.15Å; L573-L576 PolarHBondContact O-N 3.38Å; P574-L576 VanDerWaalsContact C-N 3.27Å; P574-L576 PolarHBondContact O-N 3.42Å; L576-S578 PolarHBondContact O-N 3.4Å; L576-S578 VanDerWaalsContact O-N 3.15Å; L576-Y599 HydrophobicContact CD2-CE1 4.47Å
577	E	66.8	Low	60.8	Low	86 Å²	86	72.6 Å²	72.6	40%	0.402	42%	0.424	S	S	.	.			trans	-66.8	115	176.4	-68.5	-178.1	176.5	0	0	109.5	P574 T579	P574-E577 PolarHBondContact O-N 2.95Å; E577-T579 PolarHBondContact O-N 3.2Å
578	S	48	Very low	57.7	Low	94 Å²	94	78 Å²	78	66%	0.657	46%	0.46	S	S	*	.			trans	-66.1	126.8	175.3	-175.5	0	0	0	0	109.1	L576 A580	L576-S578 PolarHBondContact O-N 3.4Å; L576-S578 VanDerWaalsContact O-N 3.15Å; S578-A580 PolarHBondContact O-N 3.5Å
579	T	41.1	Very low	54.7	Low	90 Å²	90	84.3 Å²	84.3	55%	0.552	49%	0.487	S	S	*	.			trans	-71.5	61.5	170.1	57.1	0	0	0	0	109.8	E577	E577-T579 PolarHBondContact O-N 3.2Å
580	A	33.2	Very low	51.8	Low	77 Å²	77	88.7 Å²	88.7	64%	0.636	51%	0.51	S	S	*	.			trans	-101.6	103.5	169.7	0	0	0	0	0	107	S578 S582	S578-A580 PolarHBondContact O-N 3.5Å; A580-S582 PolarHBondContact O-N 3.04Å
581	S	33	Very low	48.7	Very low	118 Å²	118	95.8 Å²	95.8	83%	0.825	55%	0.546	S	S	*	.			trans	-52.5	124.8	170.4	48.6	0	0	0	0	110.4	G583	S581-G583 PolarHBondContact O-N 3.08Å
582	S	41.3	Very low	45.8	Very low	128 Å²	128	102 Å²	102	90%	0.895	58%	0.583	S	S	*	*	S	Bend	trans	-30.5	122.8	162	160.5	0	0	0	0	113.5	A580	A580-S582 PolarHBondContact O-N 3.04Å
583	G	32.5	Very low	42.8	Very low	63 Å²	63	103.5 Å²	103.5	65%	0.649	60%	0.602	S	S	*	*			trans	158.3	48	165.2	0	0	0	0	0	116.2	S581	S581-G583 PolarHBondContact O-N 3.08Å
584	D	24.7	Very low	40.3	Very low	139 Å²	139	108.7 Å²	108.7	74%	0.743	63%	0.634	S	S	*	*			trans	177.5	107.6	146.4	-102.9	-24.3	0	0	0	110.8	S586	D584-S586 PolarHBondContact O-N 3.27Å
585	L	33.7	Very low	37.9	Very low	186 Å²	186	112 Å²	112	97%	0.974	65%	0.653	S	S	*	*			trans	-85	19.9	179.3	-88	156.6	0	0	0	113.5
586	S	27.2	Very low	35.8	Very low	91 Å²	91	116.7 Å²	116.7	64%	0.636	68%	0.684	S	S	*	*	S	Bend	trans	-109.6	10.3	-169.9	62.2	0	0	0	0	115.6	D584	D584-S586 PolarHBondContact O-N 3.27Å
587	R	28	Very low	33.9	Very low	211 Å²	211	121.7 Å²	121.7	80%	0.796	71%	0.711	S	S	*	*	S	Bend	trans	-134.1	131.6	174.4	-74.6	-175.4	169.7	-179	-2.4	113	H589	R587-H589 PolarHBondContact O-N 2.9Å
588	P	31	Very low	32.8	Very low	114 Å²	114	128.5 Å²	128.5	74%	0.74	73%	0.733	S	S	*	*			trans	-65.6	124.7	176.3	21.9	-24.5	0	0	0	110.2	H590	P588-H590 PolarHBondContact O-N 3.31Å
589	H	30.2	Very low	32.9	Very low	177 Å²	177	129.8 Å²	129.8	82%	0.819	72%	0.724	S	S	*	*			trans	-66.1	91.3	-178.5	-66.3	-75.3	0	0	0	111.6	R587	R587-H589 PolarHBondContact O-N 2.9Å
590	H	32.9	Very low	33.8	Very low	153 Å²	153	127.3 Å²	127.3	71%	0.708	71%	0.71	S	S	*	*			trans	-120.5	69.3	165.1	-81.1	-69.1	0	0	0	110.2	P588	P588-H590 PolarHBondContact O-N 3.31Å
591	I	29.2	Very low	35.4	Very low	155 Å²	155	133.6 Å²	133.6	80%	0.795	72%	0.717	S	S	*	*			trans	-143.1	105.2	159.5	-56.9	-178.4	0	0	0	108.5	S593	I591-S593 VanDerWaalsContact C-N 3.32Å; I591-S593 PolarHBondContact O-N 3.02Å
592	V	30.5	Very low	37.8	Very low	131 Å²	131	129.2 Å²	129.2	79%	0.794	68%	0.682	S	S	*	*			trans	-64.7	97.8	157	175.4	0	0	0	0	106	V594	V592-V594 VanDerWaalsContact C-N 3.29Å; V592-V594 HydrophobicContact CG1-CG2 4.01Å; V592-V594 PolarHBondContact O-N 3.12Å
593	S	27.3	Very low	39.8	Very low	86 Å²	86	128 Å²	128	60%	0.601	66%	0.661	S	S	*	*			trans	-72	89.8	173.3	172.8	0	0	0	0	108.7	I591 V595	I591-S593 VanDerWaalsContact C-N 3.32Å; I591-S593 PolarHBondContact O-N 3.02Å; S593-V595 VanDerWaalsContact C-N 3.28Å; S593-V595 PolarHBondContact O-N 3Å
594	V	31.6	Very low	42.3	Very low	112 Å²	112	125.5 Å²	125.5	68%	0.679	63%	0.633	S	S	*	*			trans	-65.7	87.6	166.4	-178.3	0	0	0	0	108.1	V592 P596	V592-V594 VanDerWaalsContact C-N 3.29Å; V592-V594 HydrophobicContact CG1-CG2 4.01Å; V592-V594 PolarHBondContact O-N 3.12Å; V594-P596 HydrophobicContact CG1-CG 3.64Å
595	V	27.4	Very low	45.3	Very low	89 Å²	89	121.2 Å²	121.2	54%	0.539	61%	0.61	S	S	.	*			trans	-113.8	91	159.5	-177.6	0	0	0	0	106.7	S593 N597	S593-V595 VanDerWaalsContact C-N 3.28Å; S593-V595 PolarHBondContact O-N 3Å; V595-N597 PolarHBondContact O-N 3.08Å; V595-N597 VanDerWaalsContact O-N 3.12Å
596	P	32.3	Very low	47.9	Very low	105 Å²	105	116.5 Å²	116.5	68%	0.682	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	7.6	-168.1	-16.1	31.1	0	0	0	116.2	V594	V594-P596 HydrophobicContact CG1-CG 3.64Å
597	N	30.7	Very low	50.9	Low	151 Å²	151	115.3 Å²	115.3	81%	0.807	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	22.3	-159.9	-106.3	4	0	0	0	117.8	V595	V595-N597 PolarHBondContact O-N 3.08Å; V595-N597 VanDerWaalsContact O-N 3.12Å
598	R	43.3	Very low	53.8	Low	228 Å²	228	105.8 Å²	105.8	86%	0.86	54%	0.542	S	S	*	.			trans	-144.5	24.3	172.2	-72.6	-164.1	-169.9	-178.8	4.4	115.5
599	Y	51	Low	56.7	Low	121 Å²	121	102.3 Å²	102.3	48%	0.475	52%	0.516	S	S	.	.	S	Bend	trans	-90.6	129.4	169.9	-71.6	-78	0	0	0	109.5	V575 L576 R601	V575-Y599 HydrophobicContact CG2-CD1 4.44Å; V575-Y599 WeakPolarHBondContact O-CE1 3.31Å; L576-Y599 HydrophobicContact CD2-CE1 4.47Å; Y599-R601 PolarHBondContact O-N 3.21Å
600	P	59.5	Low	59.7	Low	38 Å²	38	95.3 Å²	95.3	25%	0.247	49%	0.487	C	S	.	.			trans	-57	139.5	172.3	24.1	-32.6	0	0	0	109.3	E540 V575 W602	E540-P600 HydrophobicContact CG-CG 4.1Å; V575-P600 HydrophobicContact CG2-CG 3.9Å; P600-W602 VanDerWaalsContact C-N 3.32Å; P600-W602 PolarHBondContact O-N 3.43Å
601	R	66.9	Low	62.6	Low	210 Å²	210	88.8 Å²	88.8	79%	0.792	46%	0.457	S	S	*	.			trans	-72.5	86.5	-178.4	-70.2	-176.3	-178.6	174.2	1.2	109.9	Q490 Y599 F603	Q490-R601 PolarHBondContact NE2-O 3.42Å; Y599-R601 PolarHBondContact O-N 3.21Å; R601-F603 HydrophobicContact CB-CE2 4.2Å; R601-F603 HydrophobicContact CB-CZ 4.19Å; R601-F603 WeakPolarHBondContact O-CD2 3.22Å; R601-F603 PolarHBondContact O-N 3.25Å
602	W	83	Confident	65.7	Low	25 Å²	25	81.6 Å²	81.6	10%	0.095	42%	0.42	C	S	.	.			trans	-88.3	97.3	172.7	-70.2	12.1	0	0	0	109	M483 E540 S541 P543 L573 V575 P600 T604 L605 I608	M483-W602 HydrophobicContact CB-CD2 4.45Å; M483-W602 HydrophobicContact CB-CZ2 3.84Å; M483-W602 HydrophobicContact CE-CD2 4.19Å; M483-W602 HydrophobicContact CE-CE3 4.13Å; M483-W602 HydrophobicContact CE-CZ3 4.33Å; M483-W602 HydrophobicContact CG-CD2 4.27Å; M483-W602 HydrophobicContact CG-CG 4.25Å; E540-W602 HydrophobicContact CB-CZ2 4.32Å; S541-W602 WeakPolarHBondContact O-CH2 3.48Å; P543-W602 HydrophobicContact CG-CH2 4.33Å; P543-W602 HydrophobicContact CG-CZ3 3.92Å; L573-W602 HydrophobicContact CD1-CZ3 4.28Å; V575-W602 HydrophobicContact CB-CE3 4.45Å; V575-W602 HydrophobicContact CB-CH2 3.73Å; V575-W602 HydrophobicContact CB-CZ2 4.14Å; V575-W602 HydrophobicContact CB-CZ3 3.9Å; V575-W602 HydrophobicContact CG1-CE3 3.95Å; V575-W602 HydrophobicContact CG1-CH2 3.95Å; V575-W602 HydrophobicContact CG1-CZ3 3.56Å; V575-W602 HydrophobicContact CG2-CH2 4.21Å; V575-W602 HydrophobicContact CG2-CZ2 4.13Å; V575-W602 HydrophobicContact CG2-CZ3 4.44Å; P600-W602 VanDerWaalsContact C-N 3.32Å; P600-W602 PolarHBondContact O-N 3.43Å; W602-T604 PolarHBondContact O-N 2.85Å; W602-L605 HydrophobicContact CB-CB 4.23Å; W602-L605 HydrophobicContact CE3-CD1 4.3Å; W602-L605 WeakPolarHBondContact O-CB 3.24Å; W602-L605 PolarHBondContact O-N 2.82Å; W602-I608 HydrophobicContact CE3-CD1 4.16Å; W602-I608 HydrophobicContact CZ3-CD1 4.49Å
603	F	83.4	Confident	68.8	Low	102 Å²	102	75.4 Å²	75.4	45%	0.447	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28	-178.7	-58.7	-86.1	0	0	0	111.9	L487 R601 L605	L487-F603 HydrophobicContact CB-CB 4.27Å; L487-F603 HydrophobicContact CB-CD2 4.16Å; L487-F603 HydrophobicContact CB-CG 4.13Å; L487-F603 HydrophobicContact CD1-CB 3.47Å; L487-F603 VanDerWaalsContact CD1-CB 3.47Å; L487-F603 HydrophobicContact CD1-CG 4.19Å; L487-F603 HydrophobicContact CG-CB 4.47Å; R601-F603 HydrophobicContact CB-CE2 4.2Å; R601-F603 HydrophobicContact CB-CZ 4.19Å; R601-F603 WeakPolarHBondContact O-CD2 3.22Å; R601-F603 PolarHBondContact O-N 3.25Å; F603-L605 VanDerWaalsContact C-N 3.31Å; F603-L605 PolarHBondContact O-N 3.25Å
604	T	85.2	Confident	72.1	Confident	11 Å²	11	74.2 Å²	74.2	7%	0.067	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	9	178	56.7	0	0	0	0	113.9	Q490 E491 W602 S606 H607 I608	Q490-T604 HydrophobicContact CB-CG2 3.68Å; E491-T604 HydrophobicContact CG-CG2 3.97Å; W602-T604 PolarHBondContact O-N 2.85Å; T604-S606 VanDerWaalsContact C-N 3.31Å; T604-S606 PolarHBondContact O-N 3.48Å; T604-H607 WeakPolarHBondContact O-CB 3.42Å; T604-H607 PolarHBondContact O-N 3.44Å; T604-I608 WeakPolarHBondContact O-CG1 3.29Å; T604-I608 PolarHBondContact O-N 2.81Å
605	L	87.5	Confident	75.1	Confident	49 Å²	49	68.9 Å²	68.9	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-55	-43.3	-176.2	-177.3	65.2	0	0	0	112.9	L573 W602 F603 H607 I608 E609	L573-L605 HydrophobicContact CD2-CD1 4.42Å; W602-L605 HydrophobicContact CB-CB 4.23Å; W602-L605 HydrophobicContact CE3-CD1 4.3Å; W602-L605 WeakPolarHBondContact O-CB 3.24Å; W602-L605 PolarHBondContact O-N 2.82Å; F603-L605 VanDerWaalsContact C-N 3.31Å; F603-L605 PolarHBondContact O-N 3.25Å; L605-H607 VanDerWaalsContact C-N 3.31Å; L605-H607 PolarHBondContact O-N 3.23Å; L605-I608 WeakPolarHBondContact O-CB 3.48Å; L605-I608 PolarHBondContact O-N 2.97Å; L605-I608 VanDerWaalsContact O-N 3.14Å; L605-E609 HydrophobicContact CD1-CG 4.45Å; L605-E609 HydrophobicContact CG-CG 4.44Å; L605-E609 WeakPolarHBondContact O-CG 3.37Å; L605-E609 PolarHBondContact O-N 3.47Å
606	S	87.5	Confident	78.4	Confident	88 Å²	88	64.6 Å²	64.6	62%	0.615	31%	0.309	S	S	*	.	H	α-helix	trans	-59.6	-40.1	177	177.3	0	0	0	0	112.5	T604 S610	T604-S606 VanDerWaalsContact C-N 3.31Å; T604-S606 PolarHBondContact O-N 3.48Å; S606-S610 PolarHBondContact O-N 2.8Å
607	H	89.7	Confident	81.4	Confident	66 Å²	66	60.7 Å²	60.7	31%	0.306	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-43.4	174.9	172.2	84.5	0	0	0	111	E498 T604 L605 S610 Q611	E498-H607 IonicContact OE1-CE1 3.97Å; E498-H607 IonicContact OE1-NE2 2.72Å; T604-H607 WeakPolarHBondContact O-CB 3.42Å; T604-H607 PolarHBondContact O-N 3.44Å; L605-H607 VanDerWaalsContact C-N 3.31Å; L605-H607 PolarHBondContact O-N 3.23Å; H607-S610 WeakPolarHBondContact O-CB 3.38Å; H607-S610 PolarHBondContact O-N 2.86Å; H607-Q611 WeakPolarHBondContact O-CG 3.41Å; H607-Q611 PolarHBondContact O-N 3.24Å
608	I	90.6	Very high	84.5	Confident	11 Å²	11	55.4 Å²	55.4	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-46	177.5	-64.6	168.5	0	0	0	111.2	M483 P543 H545 L573 W602 T604 L605 S610 Q611 Q612	M483-I608 HydrophobicContact CE-CD1 3.52Å; P543-I608 HydrophobicContact CB-CG2 4.07Å; P543-I608 HydrophobicContact CG-CG2 3.88Å; H545-I608 PolarHBondContact CD2-O 3.4Å; L573-I608 HydrophobicContact CD1-CG2 4.17Å; W602-I608 HydrophobicContact CE3-CD1 4.16Å; W602-I608 HydrophobicContact CZ3-CD1 4.49Å; T604-I608 WeakPolarHBondContact O-CG1 3.29Å; T604-I608 PolarHBondContact O-N 2.81Å; L605-I608 WeakPolarHBondContact O-CB 3.48Å; L605-I608 PolarHBondContact O-N 2.97Å; L605-I608 VanDerWaalsContact O-N 3.14Å; I608-S610 VanDerWaalsContact C-N 3.29Å; I608-S610 PolarHBondContact O-N 3.01Å; I608-Q611 PolarHBondContact O-N 3.12Å; I608-Q611 VanDerWaalsContact O-N 3.14Å; I608-Q612 PolarHBondContact O-N 3.33Å
609	E	91.2	Very high	87	Confident	40 Å²	40	44.6 Å²	44.6	19%	0.187	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-37.2	175.5	-71.2	-175.7	152.8	0	0	111.8	L605 Q612 C613	L605-E609 HydrophobicContact CD1-CG 4.45Å; L605-E609 HydrophobicContact CG-CG 4.44Å; L605-E609 WeakPolarHBondContact O-CG 3.37Å; L605-E609 PolarHBondContact O-N 3.47Å; E609-Q612 WeakPolarHBondContact O-CB 3.45Å; E609-Q612 PolarHBondContact O-N 3.45Å; E609-C613 WeakPolarHBondContact O-CB 3.43Å; E609-C613 PolarHBondContact O-N 2.91Å
610	S	93.3	Very high	89.1	Confident	31 Å²	31	38.9 Å²	38.9	22%	0.217	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-43.6	172.7	-167.1	0	0	0	0	111.8	S606 H607 I608 C613 E614	S606-S610 PolarHBondContact O-N 2.8Å; H607-S610 WeakPolarHBondContact O-CB 3.38Å; H607-S610 PolarHBondContact O-N 2.86Å; I608-S610 VanDerWaalsContact C-N 3.29Å; I608-S610 PolarHBondContact O-N 3.01Å; S610-C613 WeakPolarHBondContact O-CB 3.38Å; S610-C613 PolarHBondContact O-N 3.28Å; S610-E614 WeakPolarHBondContact O-CG 3.5Å; S610-E614 PolarHBondContact O-N 2.93Å
611	Q	94.1	Very high	90.6	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-36.3	176.8	-64.7	-52.7	-50.2	0	0	112.2	H545 T546 H607 I608 E614 L615	H545-Q611 HydrophobicContact CB-CB 3.91Å; T546-Q611 WeakPolarHBondContact OG1-CG 3.49Å; H607-Q611 WeakPolarHBondContact O-CG 3.41Å; H607-Q611 PolarHBondContact O-N 3.24Å; I608-Q611 PolarHBondContact O-N 3.12Å; I608-Q611 VanDerWaalsContact O-N 3.14Å; Q611-E614 PolarHBondContact NE2-OE2 3.14Å; Q611-E614 PolarHBondContact O-N 3.21Å; Q611-E614 PolarHBondContact OE1-OE2 3.04Å; Q611-L615 PolarHBondContact O-N 3.43Å
612	Q	94.5	Very high	91.9	Very high	4 Å²	4	32 Å²	32	2%	0.019	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-44.9	172.1	-167.4	-167.5	32.9	0	0	111.2	M571 I608 E609 L615 A616 N640 I641	M571-Q612 HydrophobicContact CE-CG 3.83Å; M571-Q612 PolarHBondContact O-NE2 2.9Å; M571-Q612 HydrophobicContact SD-CG 4.29Å; I608-Q612 PolarHBondContact O-N 3.33Å; E609-Q612 WeakPolarHBondContact O-CB 3.45Å; E609-Q612 PolarHBondContact O-N 3.45Å; Q612-L615 PolarHBondContact O-N 3.46Å; Q612-A616 PolarHBondContact O-N 3.39Å; Q612-A616 VanDerWaalsContact O-N 3.07Å; Q612-N640 PolarHBondContact NE2-O 3Å; Q612-I641 HydrophobicContact CG-CG1 4.34Å
613	C	95.1	Very high	92.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-41.5	175.6	-177.1	0	0	0	0	111.7	E609 S610 A616 S617 H646 L650	E609-C613 WeakPolarHBondContact O-CB 3.43Å; E609-C613 PolarHBondContact O-N 2.91Å; S610-C613 WeakPolarHBondContact O-CB 3.38Å; S610-C613 PolarHBondContact O-N 3.28Å; C613-A616 PolarHBondContact O-N 2.92Å; C613-S617 PolarHBondContact O-N 3.39Å; C613-H646 HydrophobicContact CB-CB 4.1Å; C613-L650 WeakPolarHBondContact O-CD2 3.28Å
614	E	95.6	Very high	92.5	Very high	60 Å²	60	29.9 Å²	29.9	28%	0.28	17%	0.17	S	C	.	.	H	α-helix	trans	-66.9	-40.3	178.2	-72.1	171.3	-168.1	0	0	112	R549 S610 Q611 S617 T618	R549-E614 IonicContact CZ-OE2 3.43Å; R549-E614 IonicContact NH1-OE2 2.77Å; R549-E614 PolarHBondContact NH1-OE2 3.49Å; R549-E614 IonicContact NH2-OE2 2.88Å; S610-E614 WeakPolarHBondContact O-CG 3.5Å; S610-E614 PolarHBondContact O-N 2.93Å; Q611-E614 PolarHBondContact NE2-OE2 3.14Å; Q611-E614 PolarHBondContact O-N 3.21Å; Q611-E614 PolarHBondContact OE1-OE2 3.04Å; E614-S617 PolarHBondContact O-N 3.02Å; E614-T618 WeakPolarHBondContact O-CG2 3.22Å; E614-T618 PolarHBondContact O-N 2.93Å; E614-T618 PolarHBondContact O-OG1 3.48Å
615	L	96.4	Very high	92.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-48.7	172.5	176.4	62.4	0	0	0	111.4	A548 R549 A567 A570 M571 Q611 Q612 S617 T618 M619	A548-L615 HydrophobicContact CB-CD2 4.27Å; R549-L615 HydrophobicContact CB-CD1 3.81Å; R549-L615 HydrophobicContact CG-CD1 4.42Å; A567-L615 HydrophobicContact CB-CD1 4.06Å; A570-L615 HydrophobicContact CB-CD2 3.99Å; M571-L615 HydrophobicContact CG-CD2 4.44Å; M571-L615 HydrophobicContact SD-CB 4.35Å; M571-L615 HydrophobicContact SD-CD2 3.85Å; M571-L615 HydrophobicContact SD-CG 4Å; Q611-L615 PolarHBondContact O-N 3.43Å; Q612-L615 PolarHBondContact O-N 3.46Å; L615-S617 VanDerWaalsContact C-N 3.33Å; L615-S617 PolarHBondContact O-N 2.92Å; L615-T618 WeakPolarHBondContact CA-OG1 3.36Å; L615-T618 PolarHBondContact O-N 2.9Å; L615-T618 PolarHBondContact O-OG1 3.42Å; L615-M619 HydrophobicContact CD1-SD 4.37Å; L615-M619 HydrophobicContact CG-SD 4.14Å; L615-M619 WeakPolarHBondContact O-CG 3.48Å; L615-M619 PolarHBondContact O-N 3.24Å
616	A	96.1	Very high	92.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-41.9	176.8	0	0	0	0	0	112.7	M571 Q612 C613 M619 L620 I637 I641 L650	M571-A616 HydrophobicContact CE-CB 3.82Å; M571-A616 HydrophobicContact SD-CB 4.14Å; Q612-A616 PolarHBondContact O-N 3.39Å; Q612-A616 VanDerWaalsContact O-N 3.07Å; C613-A616 PolarHBondContact O-N 2.92Å; A616-M619 PolarHBondContact O-N 3.16Å; A616-L620 WeakPolarHBondContact O-CG 3.49Å; A616-L620 PolarHBondContact O-N 3.37Å; A616-I637 HydrophobicContact CB-CD1 4Å; A616-I637 HydrophobicContact CB-CG1 3.89Å; A616-I641 HydrophobicContact CB-CD1 4.05Å; A616-L650 HydrophobicContact CB-CD1 3.84Å; A616-L650 HydrophobicContact CB-CD2 3.81Å
617	S	95.4	Very high	92.5	Very high	22 Å²	22	31.3 Å²	31.3	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-41.4	177.2	-169.9	0	0	0	0	111.8	C613 E614 L615 M619 L620 T621	C613-S617 PolarHBondContact O-N 3.39Å; E614-S617 PolarHBondContact O-N 3.02Å; L615-S617 VanDerWaalsContact C-N 3.33Å; L615-S617 PolarHBondContact O-N 2.92Å; S617-M619 PolarHBondContact O-N 3.11Å; S617-L620 PolarHBondContact O-N 3.43Å; S617-T621 PolarHBondContact O-N 3.4Å; S617-T621 PolarHBondContact O-OG1 2.92Å
618	T	95.7	Very high	92.5	Very high	41 Å²	41	37.7 Å²	37.7	25%	0.252	21%	0.212	S	C	.	.	H	α-helix	trans	-63.2	-39.2	174.6	56.2	0	0	0	0	112.7	R549 E614 L615 T621 A622	R549-T618 HydrophobicContact CG-CG2 4.16Å; E614-T618 WeakPolarHBondContact O-CG2 3.22Å; E614-T618 PolarHBondContact O-N 2.93Å; E614-T618 PolarHBondContact O-OG1 3.48Å; L615-T618 WeakPolarHBondContact CA-OG1 3.36Å; L615-T618 PolarHBondContact O-N 2.9Å; L615-T618 PolarHBondContact O-OG1 3.42Å; T618-T621 PolarHBondContact O-N 3.31Å; T618-A622 WeakPolarHBondContact O-CB 3.38Å; T618-A622 PolarHBondContact O-N 3.3Å
619	M	95.7	Very high	92.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-41.7	176.4	-70.7	164.6	47.8	0	0	112.6	F552 Y564 A567 L568 M571 L615 A616 S617 A622 A623 V633	F552-M619 HydrophobicContact CE1-CG 4.46Å; F552-M619 HydrophobicContact CE2-CG 4.22Å; F552-M619 HydrophobicContact CZ-CG 4.17Å; Y564-M619 HydrophobicContact CE1-CB 4.29Å; Y564-M619 PolarHBondContact OH-O 2.99Å; A567-M619 HydrophobicContact CB-CE 4.48Å; A567-M619 HydrophobicContact CB-CG 3.8Å; A567-M619 HydrophobicContact CB-SD 3.45Å; A567-M619 WeakPolarHBondContact CB-SD 3.36Å; L568-M619 HydrophobicContact CD2-CE 3.55Å; L568-M619 HydrophobicContact CG-CE 3.99Å; M571-M619 HydrophobicContact CG-CE 4.49Å; M571-M619 HydrophobicContact CG-SD 4.26Å; M571-M619 HydrophobicContact SD-SD 4.4Å; L615-M619 HydrophobicContact CD1-SD 4.37Å; L615-M619 HydrophobicContact CG-SD 4.14Å; L615-M619 WeakPolarHBondContact O-CG 3.48Å; L615-M619 PolarHBondContact O-N 3.24Å; A616-M619 PolarHBondContact O-N 3.16Å; S617-M619 PolarHBondContact O-N 3.11Å; M619-A622 PolarHBondContact O-N 3.03Å; M619-A623 VanDerWaalsContact O-CB 3.24Å; M619-A623 WeakPolarHBondContact O-CB 3.33Å; M619-A623 PolarHBondContact O-N 2.94Å; M619-V633 HydrophobicContact CB-CG1 4.14Å; M619-V633 HydrophobicContact CB-CG2 4.17Å; M619-V633 HydrophobicContact CE-CB 4.17Å; M619-V633 HydrophobicContact CE-CG1 3.85Å; M619-V633 HydrophobicContact CE-CG2 3.59Å
620	L	93.8	Very high	92.6	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-43.1	176.2	-74.8	171.3	0	0	0	111.5	A616 S617 A623 K624 L630 V633 I637 L650 A654 V672	A616-L620 WeakPolarHBondContact O-CG 3.49Å; A616-L620 PolarHBondContact O-N 3.37Å; S617-L620 PolarHBondContact O-N 3.43Å; L620-A623 PolarHBondContact O-N 3.02Å; L620-K624 PolarHBondContact O-N 3.4Å; L620-L630 HydrophobicContact CD2-CD2 4.13Å; L620-V633 HydrophobicContact CD2-CB 4.46Å; L620-V633 HydrophobicContact CD2-CG1 3.67Å; L620-V633 HydrophobicContact CG-CG1 3.9Å; L620-I637 HydrophobicContact CD1-CD1 3.87Å; L620-I637 HydrophobicContact CD2-CD1 4.29Å; L620-I637 HydrophobicContact CG-CD1 4.12Å; L620-L650 HydrophobicContact CD1-CD2 4.21Å; L620-A654 HydrophobicContact CD1-CB 4.37Å; L620-V672 HydrophobicContact CD2-CG1 3.91Å
621	T	92.6	Very high	92.6	Very high	69 Å²	69	42.7 Å²	42.7	42%	0.423	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-45.4	177.6	-53.4	0	0	0	0	111.2	S617 T618 A623 K624 I657	S617-T621 PolarHBondContact O-N 3.4Å; S617-T621 PolarHBondContact O-OG1 2.92Å; T618-T621 PolarHBondContact O-N 3.31Å; T621-A623 VanDerWaalsContact C-N 3.32Å; T621-A623 PolarHBondContact O-N 2.98Å; T621-K624 WeakPolarHBondContact O-CB 3.34Å; T621-K624 PolarHBondContact O-N 3.41Å; T621-I657 HydrophobicContact CG2-CD1 4.42Å; T621-I657 WeakPolarHBondContact OG1-CD1 3.49Å
622	A	92.8	Very high	92.5	Very high	35 Å²	35	44.8 Å²	44.8	29%	0.289	24%	0.244	S	C	.	.	H	α-helix	trans	-71.1	-24.8	179.1	0	0	0	0	0	113.7	F552 L556 Y564 T618 M619 K624	F552-A622 HydrophobicContact CE1-CB 3.77Å; F552-A622 HydrophobicContact CZ-CB 3.61Å; L556-A622 HydrophobicContact CD1-CB 4.33Å; L556-A622 HydrophobicContact CD2-CB 3.63Å; Y564-A622 VanDerWaalsContact OH-CB 3.29Å; Y564-A622 WeakPolarHBondContact OH-CB 3.49Å; Y564-A622 PolarHBondContact OH-O 3.42Å; T618-A622 WeakPolarHBondContact O-CB 3.38Å; T618-A622 PolarHBondContact O-N 3.3Å; M619-A622 PolarHBondContact O-N 3.03Å; A622-K624 VanDerWaalsContact C-N 3.27Å; A622-K624 PolarHBondContact O-N 2.94Å
623	A	91.2	Very high	92.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	0.7	-179.3	0	0	0	0	0	112.8	Y564 M619 L620 T621 G625 D626 R629 L630	Y564-A623 HydrophobicContact CE1-CB 4.34Å; Y564-A623 VanDerWaalsContact OH-CA 3.24Å; Y564-A623 WeakPolarHBondContact OH-CA 3.43Å; Y564-A623 WeakPolarHBondContact OH-CB 3.35Å; Y564-A623 PolarHBondContact OH-N 3.35Å; M619-A623 VanDerWaalsContact O-CB 3.24Å; M619-A623 WeakPolarHBondContact O-CB 3.33Å; M619-A623 PolarHBondContact O-N 2.94Å; L620-A623 PolarHBondContact O-N 3.02Å; T621-A623 VanDerWaalsContact C-N 3.32Å; T621-A623 PolarHBondContact O-N 2.98Å; A623-G625 PolarHBondContact O-N 3.43Å; A623-D626 PolarHBondContact O-N 3.24Å; A623-R629 HydrophobicContact CB-CB 4.01Å; A623-L630 HydrophobicContact CB-CD2 3.58Å; A623-L630 HydrophobicContact CB-CG 3.87Å; A623-L630 WeakPolarHBondContact O-CG 3.34Å
624	K	88.3	Confident	92.4	Very high	80 Å²	80	45.6 Å²	45.6	35%	0.348	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	125.7	178	-175.2	175.9	179.3	168.4	0	110.3	L620 T621 A622 I657	L620-K624 PolarHBondContact O-N 3.4Å; T621-K624 WeakPolarHBondContact O-CB 3.34Å; T621-K624 PolarHBondContact O-N 3.41Å; A622-K624 VanDerWaalsContact C-N 3.27Å; A622-K624 PolarHBondContact O-N 2.94Å; K624-I657 HydrophobicContact CD-CG2 4.02Å; K624-I657 PolarHBondContact NZ-O 3Å
625	G	83.8	Confident	92.3	Very high	66 Å²	66	49 Å²	49	68%	0.68	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-3.1	-177	0	0	0	0	0	116.6	A623 D666	A623-G625 PolarHBondContact O-N 3.43Å; G625-D666 PolarHBondContact N-OD2 2.87Å
626	D	88.6	Confident	92.2	Very high	52 Å²	52	49.7 Å²	49.7	28%	0.278	27%	0.268	S	S	.	.			trans	-116.3	99.8	174.6	-173.1	-24	0	0	0	111	A623 R628 R629 L630	A623-D626 PolarHBondContact O-N 3.24Å; D626-R628 VanDerWaalsContact C-N 3.34Å; D626-R628 PolarHBondContact O-N 3.11Å; D626-R628 PolarHBondContact OD1-N 3.39Å; D626-R628 VanDerWaalsContact OD1-N 3.16Å; D626-R629 HydrophobicContact CB-CB 4.12Å; D626-R629 HydrophobicContact CB-CG 4.36Å; D626-R629 PolarHBondContact O-N 2.99Å; D626-R629 PolarHBondContact OD1-N 3.15Å; D626-R629 WeakPolarHBondContact OD2-CD 3.4Å; D626-R629 VanDerWaalsContact OD2-CG 3.31Å; D626-R629 WeakPolarHBondContact OD2-CG 3.34Å; D626-R629 IonicContact OD2-CZ 2.78Å; D626-R629 IonicContact OD2-NE 3.02Å; D626-R629 PolarHBondContact OD2-NE 3.39Å; D626-L630 WeakPolarHBondContact O-CG 3.32Å; D626-L630 PolarHBondContact O-N 3.46Å
627	S	87.9	Confident	92	Very high	61 Å²	61	49.7 Å²	49.7	43%	0.427	27%	0.268	S	S	.	.	H	α-helix	trans	-61.7	-37.8	-175.8	57.8	0	0	0	0	113.5	L630 E631	S627-L630 PolarHBondContact O-N 2.94Å; S627-E631 WeakPolarHBondContact O-CG 3.48Å; S627-E631 PolarHBondContact O-N 2.76Å
628	R	90.8	Very high	91.8	Very high	199 Å²	199	52.2 Å²	52.2	75%	0.751	28%	0.278	S	S	*	.	H	α-helix	trans	-68.2	-43.5	-178.8	-69.9	-179.2	175.4	173.4	-0.5	110.7	D626 E631 T632	D626-R628 VanDerWaalsContact C-N 3.34Å; D626-R628 PolarHBondContact O-N 3.11Å; D626-R628 PolarHBondContact OD1-N 3.39Å; D626-R628 VanDerWaalsContact OD1-N 3.16Å; R628-E631 PolarHBondContact O-N 3.48Å; R628-T632 WeakPolarHBondContact O-CG2 3.31Å; R628-T632 PolarHBondContact O-N 2.98Å; R628-T632 VanDerWaalsContact O-N 3.14Å
629	R	91.3	Very high	91.5	Very high	66 Å²	66	57.7 Å²	57.7	25%	0.249	30%	0.298	C	S	.	.	H	α-helix	trans	-64.4	-43.7	176.2	-72.3	-177.3	176.8	164.7	1.4	110.9	A623 D626 E631 T632 V633	A623-R629 HydrophobicContact CB-CB 4.01Å; D626-R629 HydrophobicContact CB-CB 4.12Å; D626-R629 HydrophobicContact CB-CG 4.36Å; D626-R629 PolarHBondContact O-N 2.99Å; D626-R629 PolarHBondContact OD1-N 3.15Å; D626-R629 WeakPolarHBondContact OD2-CD 3.4Å; D626-R629 VanDerWaalsContact OD2-CG 3.31Å; D626-R629 WeakPolarHBondContact OD2-CG 3.34Å; D626-R629 IonicContact OD2-CZ 2.78Å; D626-R629 IonicContact OD2-NE 3.02Å; D626-R629 PolarHBondContact OD2-NE 3.39Å; R629-E631 VanDerWaalsContact C-N 3.33Å; R629-E631 PolarHBondContact O-N 3.33Å; R629-T632 PolarHBondContact O-N 3.44Å; R629-T632 PolarHBondContact O-OG1 3.45Å; R629-V633 VanDerWaalsContact O-CG2 3.26Å; R629-V633 WeakPolarHBondContact O-CG2 3.46Å; R629-V633 PolarHBondContact O-N 3.38Å
630	L	92.4	Very high	91.2	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-57.4	-43.1	176.7	-75.7	173.5	0	0	0	113	L620 A623 D626 S627 V633 L634 T668 L669 V672	L620-L630 HydrophobicContact CD2-CD2 4.13Å; A623-L630 HydrophobicContact CB-CD2 3.58Å; A623-L630 HydrophobicContact CB-CG 3.87Å; A623-L630 WeakPolarHBondContact O-CG 3.34Å; D626-L630 WeakPolarHBondContact O-CG 3.32Å; D626-L630 PolarHBondContact O-N 3.46Å; S627-L630 PolarHBondContact O-N 2.94Å; L630-V633 PolarHBondContact O-N 3.04Å; L630-L634 WeakPolarHBondContact O-CB 3.48Å; L630-L634 PolarHBondContact O-N 3.23Å; L630-T668 WeakPolarHBondContact CD1-OG1 3.24Å; L630-L669 HydrophobicContact CD1-CD1 4.43Å; L630-L669 HydrophobicContact CD2-CD1 3.66Å; L630-V672 HydrophobicContact CB-CG2 4.11Å
631	E	92	Very high	91	Very high	120 Å²	120	58.3 Å²	58.3	56%	0.561	30%	0.301	S	S	*	.	H	α-helix	trans	-60.4	-48.9	174.8	-74.9	171.2	-175.5	0	0	111.7	S627 R628 R629 V633 L634 E635	S627-E631 WeakPolarHBondContact O-CG 3.48Å; S627-E631 PolarHBondContact O-N 2.76Å; R628-E631 PolarHBondContact O-N 3.48Å; R629-E631 VanDerWaalsContact C-N 3.33Å; R629-E631 PolarHBondContact O-N 3.33Å; E631-V633 VanDerWaalsContact C-N 3.32Å; E631-V633 PolarHBondContact O-N 2.91Å; E631-L634 WeakPolarHBondContact O-CB 3.39Å; E631-L634 PolarHBondContact O-N 3.38Å; E631-E635 WeakPolarHBondContact O-CG 3.44Å; E631-E635 PolarHBondContact O-N 3.34Å
632	T	93.4	Very high	90.6	Very high	60 Å²	60	59.6 Å²	59.6	37%	0.368	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-36.3	178.9	61.5	0	0	0	0	113.3	R628 R629 S636	R628-T632 WeakPolarHBondContact O-CG2 3.31Å; R628-T632 PolarHBondContact O-N 2.98Å; R628-T632 VanDerWaalsContact O-N 3.14Å; R629-T632 PolarHBondContact O-N 3.44Å; R629-T632 PolarHBondContact O-OG1 3.45Å; T632-S636 WeakPolarHBondContact O-CB 3.13Å; T632-S636 PolarHBondContact O-N 3.39Å; T632-S636 VanDerWaalsContact O-N 3.13Å
633	V	94.4	Very high	90.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.3	-43.4	176.2	172.5	0	0	0	0	110.3	Y564 M619 L620 R629 L630 E631 S636 I637	Y564-V633 HydrophobicContact CD1-CG2 4.22Å; Y564-V633 HydrophobicContact CE1-CG2 3.93Å; M619-V633 HydrophobicContact CB-CG1 4.14Å; M619-V633 HydrophobicContact CB-CG2 4.17Å; M619-V633 HydrophobicContact CE-CB 4.17Å; M619-V633 HydrophobicContact CE-CG1 3.85Å; M619-V633 HydrophobicContact CE-CG2 3.59Å; L620-V633 HydrophobicContact CD2-CB 4.46Å; L620-V633 HydrophobicContact CD2-CG1 3.67Å; L620-V633 HydrophobicContact CG-CG1 3.9Å; R629-V633 VanDerWaalsContact O-CG2 3.26Å; R629-V633 WeakPolarHBondContact O-CG2 3.46Å; R629-V633 PolarHBondContact O-N 3.38Å; L630-V633 PolarHBondContact O-N 3.04Å; E631-V633 VanDerWaalsContact C-N 3.32Å; E631-V633 PolarHBondContact O-N 2.91Å; V633-S636 PolarHBondContact O-N 3.11Å; V633-I637 HydrophobicContact CG1-CD1 3.77Å; V633-I637 HydrophobicContact CG1-CG1 4.38Å; V633-I637 VanDerWaalsContact O-CG1 3.32Å; V633-I637 WeakPolarHBondContact O-CG1 3.29Å; V633-I637 PolarHBondContact O-N 3.38Å
634	L	93.2	Very high	90.2	Very high	21 Å²	21	60.5 Å²	60.5	11%	0.11	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-48.9	176.5	175.1	58.9	0	0	0	111.5	L630 E631 S636 I637 Q638 V672 E675 L676	L630-L634 WeakPolarHBondContact O-CB 3.48Å; L630-L634 PolarHBondContact O-N 3.23Å; E631-L634 WeakPolarHBondContact O-CB 3.39Å; E631-L634 PolarHBondContact O-N 3.38Å; L634-S636 VanDerWaalsContact C-N 3.28Å; L634-S636 PolarHBondContact O-N 3.26Å; L634-I637 PolarHBondContact O-N 2.85Å; L634-Q638 HydrophobicContact CD1-CG 4.05Å; L634-Q638 WeakPolarHBondContact O-CB 3.4Å; L634-Q638 VanDerWaalsContact O-CG 3.32Å; L634-Q638 WeakPolarHBondContact O-CG 3.45Å; L634-Q638 PolarHBondContact O-N 2.93Å; L634-V672 HydrophobicContact CB-CG1 4.31Å; L634-V672 HydrophobicContact CD1-CG1 4.19Å; L634-V672 HydrophobicContact CD2-CG1 4.49Å; L634-V672 HydrophobicContact CD2-CG2 4.39Å; L634-E675 HydrophobicContact CD1-CB 4.37Å; L634-E675 HydrophobicContact CD2-CB 3.96Å; L634-E675 HydrophobicContact CD2-CG 4.28Å; L634-L676 HydrophobicContact CD1-CD2 3.43Å; L634-L676 VanDerWaalsContact CD1-CD2 3.43Å; L634-L676 HydrophobicContact CD1-CG 3.71Å
635	E	93	Very high	90.3	Very high	132 Å²	132	60 Å²	60	62%	0.617	31%	0.313	S	S	*	.	H	α-helix	trans	-57.8	-42	176.8	-72.5	-179.8	177	0	0	111.8	E631 Q638 K639	E631-E635 WeakPolarHBondContact O-CG 3.44Å; E631-E635 PolarHBondContact O-N 3.34Å; E635-Q638 PolarHBondContact O-N 2.96Å; E635-K639 WeakPolarHBondContact O-CB 3.34Å; E635-K639 PolarHBondContact O-N 3.09Å
636	S	92.9	Very high	90.7	Very high	14 Å²	14	58.1 Å²	58.1	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-41.8	177.3	-176.2	0	0	0	0	112.7	T632 V633 L634 K639 N640	T632-S636 WeakPolarHBondContact O-CB 3.13Å; T632-S636 PolarHBondContact O-N 3.39Å; T632-S636 VanDerWaalsContact O-N 3.13Å; V633-S636 PolarHBondContact O-N 3.11Å; L634-S636 VanDerWaalsContact C-N 3.28Å; L634-S636 PolarHBondContact O-N 3.26Å; S636-K639 PolarHBondContact O-N 3.3Å; S636-N640 WeakPolarHBondContact O-CB 3.37Å; S636-N640 PolarHBondContact O-N 3.28Å; S636-N640 PolarHBondContact O-ND2 3.48Å; S636-N640 PolarHBondContact OG-ND2 3.26Å
637	I	93.3	Very high	90.9	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-48.5	175.8	-71.2	165.9	0	0	0	110.1	A616 L620 V633 L634 K639 N640 I641 L650 L676	A616-I637 HydrophobicContact CB-CD1 4Å; A616-I637 HydrophobicContact CB-CG1 3.89Å; L620-I637 HydrophobicContact CD1-CD1 3.87Å; L620-I637 HydrophobicContact CD2-CD1 4.29Å; L620-I637 HydrophobicContact CG-CD1 4.12Å; V633-I637 HydrophobicContact CG1-CD1 3.77Å; V633-I637 HydrophobicContact CG1-CG1 4.38Å; V633-I637 VanDerWaalsContact O-CG1 3.32Å; V633-I637 WeakPolarHBondContact O-CG1 3.29Å; V633-I637 PolarHBondContact O-N 3.38Å; L634-I637 PolarHBondContact O-N 2.85Å; I637-K639 PolarHBondContact O-N 3.27Å; I637-N640 PolarHBondContact O-N 3.47Å; I637-I641 HydrophobicContact CB-CD1 4.49Å; I637-I641 HydrophobicContact CG1-CD1 4.32Å; I637-I641 HydrophobicContact CG2-CD1 3.97Å; I637-I641 HydrophobicContact CG2-CG1 4.37Å; I637-I641 WeakPolarHBondContact O-CB 3.48Å; I637-I641 PolarHBondContact O-N 3.49Å; I637-L650 HydrophobicContact CD1-CD1 4.35Å; I637-L650 HydrophobicContact CG1-CD1 4.48Å; I637-L650 HydrophobicContact CG2-CD1 4.03Å; I637-L676 HydrophobicContact CB-CD2 4.3Å; I637-L676 HydrophobicContact CG2-CD2 3.52Å
638	Q	90.3	Very high	91.1	Very high	75 Å²	75	53.8 Å²	53.8	35%	0.35	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-35.3	-179.4	-73.1	178.9	-14.9	0	0	112.3	L634 E635 Q679	L634-Q638 HydrophobicContact CD1-CG 4.05Å; L634-Q638 WeakPolarHBondContact O-CB 3.4Å; L634-Q638 VanDerWaalsContact O-CG 3.32Å; L634-Q638 WeakPolarHBondContact O-CG 3.45Å; L634-Q638 PolarHBondContact O-N 2.93Å; E635-Q638 PolarHBondContact O-N 2.96Å; Q638-Q679 PolarHBondContact O-NE2 2.81Å
639	K	89.9	Confident	91.3	Very high	156 Å²	156	48.2 Å²	48.2	68%	0.678	24%	0.239	S	C	*	.	H	α-helix	trans	-78.2	-43.4	-179.7	-174.5	178.7	178.5	-178.9	0	113.4	E635 S636 I637 H642	E635-K639 WeakPolarHBondContact O-CB 3.34Å; E635-K639 PolarHBondContact O-N 3.09Å; S636-K639 PolarHBondContact O-N 3.3Å; I637-K639 PolarHBondContact O-N 3.27Å; K639-H642 PolarHBondContact O-CE1 2.94Å; K639-H642 VanDerWaalsContact O-CE1 3.24Å
640	N	89.3	Confident	91.4	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.064	23%	0.227	C	C	.	.	H	α-helix	trans	-106	-21.1	-164.6	-59.3	-62.3	0	0	0	114.9	M571 Q612 S636 I637	M571-N640 HydrophobicContact CB-CB 4.33Å; M571-N640 VanDerWaalsContact O-CB 3.25Å; M571-N640 WeakPolarHBondContact O-CB 3.4Å; Q612-N640 PolarHBondContact NE2-O 3Å; S636-N640 WeakPolarHBondContact O-CB 3.37Å; S636-N640 PolarHBondContact O-N 3.28Å; S636-N640 PolarHBondContact O-ND2 3.48Å; S636-N640 PolarHBondContact OG-ND2 3.26Å; I637-N640 PolarHBondContact O-N 3.47Å
641	I	89.2	Confident	91.6	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.226	C	C	.	.			trans	-97.4	121.8	177.6	-52.8	-171.7	0	0	0	108.7	M571 Q612 A616 I637 H646 I647 L650	M571-I641 HydrophobicContact CE-CD1 3.66Å; M571-I641 HydrophobicContact CE-CG1 3.68Å; Q612-I641 HydrophobicContact CG-CG1 4.34Å; A616-I641 HydrophobicContact CB-CD1 4.05Å; I637-I641 HydrophobicContact CB-CD1 4.49Å; I637-I641 HydrophobicContact CG1-CD1 4.32Å; I637-I641 HydrophobicContact CG2-CD1 3.97Å; I637-I641 HydrophobicContact CG2-CG1 4.37Å; I637-I641 WeakPolarHBondContact O-CB 3.48Å; I637-I641 PolarHBondContact O-N 3.49Å; I641-H646 HydrophobicContact CG2-CB 4.14Å; I641-I647 HydrophobicContact CB-CG1 4.27Å; I641-I647 HydrophobicContact CG2-CG1 3.81Å; I641-L650 HydrophobicContact CD1-CD1 3.36Å
642	H	84.9	Confident	91.7	Very high	96 Å²	96	42.1 Å²	42.1	44%	0.444	21%	0.213	S	C	.	.			trans	-107.7	-16.9	-176.5	-57.6	-48.4	0	0	0	113.7	K639 S644	K639-H642 PolarHBondContact O-CE1 2.94Å; K639-H642 VanDerWaalsContact O-CE1 3.24Å; H642-S644 PolarHBondContact O-N 2.91Å
643	S	87.3	Confident	91.6	Very high	26 Å²	26	40.8 Å²	40.8	18%	0.182	20%	0.204	C	C	.	.			trans	-78.5	116.5	-178.9	177.4	0	0	0	0	111.8	S645 H646 I647	S643-S645 PolarHBondContact O-N 3Å; S643-S645 PolarHBondContact OG-OG 3.3Å; S643-H646 PolarHBondContact O-N 3.16Å; S643-H646 VanDerWaalsContact O-N 3.16Å; S643-H646 PolarHBondContact OG-CD2 3.06Å; S643-I647 WeakPolarHBondContact O-CG1 3.47Å; S643-I647 PolarHBondContact O-N 3.34Å
644	S	88.4	Confident	91.5	Very high	29 Å²	29	40.8 Å²	40.8	20%	0.203	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-30.6	179.7	61.9	0	0	0	0	113.6	H642 F648	H642-S644 PolarHBondContact O-N 2.91Å; S644-F648 VanDerWaalsContact O-CB 3.31Å; S644-F648 WeakPolarHBondContact O-CB 3.42Å; S644-F648 PolarHBondContact O-N 3.4Å
645	S	90.1	Very high	91.5	Very high	69 Å²	69	41.2 Å²	41.2	48%	0.483	21%	0.205	S	C	.	.	H	α-helix	trans	-70.8	-40.2	176.2	53.4	0	0	0	0	112.1	S643 F648 K649	S643-S645 PolarHBondContact O-N 3Å; S643-S645 PolarHBondContact OG-OG 3.3Å; S645-F648 PolarHBondContact O-N 3.43Å; S645-K649 PolarHBondContact O-N 3.34Å
646	H	91.8	Very high	91.5	Very high	28 Å²	28	40.8 Å²	40.8	13%	0.13	20%	0.201	C	C	.	.	H	α-helix	trans	-70.6	-41.1	176.9	-71.3	-57.4	0	0	0	112	C613 I641 S643 F648 K649 L650	C613-H646 HydrophobicContact CB-CB 4.1Å; I641-H646 HydrophobicContact CG2-CB 4.14Å; S643-H646 PolarHBondContact O-N 3.16Å; S643-H646 VanDerWaalsContact O-N 3.16Å; S643-H646 PolarHBondContact OG-CD2 3.06Å; H646-F648 VanDerWaalsContact C-N 3.3Å; H646-F648 PolarHBondContact O-N 3.05Å; H646-K649 PolarHBondContact O-N 3.04Å; H646-L650 WeakPolarHBondContact O-CG 3.47Å; H646-L650 PolarHBondContact O-N 3.21Å
647	I	92.9	Very high	91.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-42.4	173.2	-59.3	166	0	0	0	110.3	I641 S643 L650 A651 L676 V680 I683	I641-I647 HydrophobicContact CB-CG1 4.27Å; I641-I647 HydrophobicContact CG2-CG1 3.81Å; S643-I647 WeakPolarHBondContact O-CG1 3.47Å; S643-I647 PolarHBondContact O-N 3.34Å; I647-L650 PolarHBondContact O-N 2.98Å; I647-A651 PolarHBondContact O-N 3.01Å; I647-L676 HydrophobicContact CG2-CB 4.22Å; I647-L676 HydrophobicContact CG2-CD2 4.19Å; I647-V680 HydrophobicContact CB-CG2 3.8Å; I647-V680 HydrophobicContact CG2-CG2 3.52Å; I647-I683 HydrophobicContact CD1-CD1 3.82Å
648	F	93.3	Very high	91	Very high	22 Å²	22	41.1 Å²	41.1	10%	0.096	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-41.2	177	-172.7	-110.9	0	0	0	112.4	S644 S645 H646 L650 A651 Q652 V680 M695 W698	S644-F648 VanDerWaalsContact O-CB 3.31Å; S644-F648 WeakPolarHBondContact O-CB 3.42Å; S644-F648 PolarHBondContact O-N 3.4Å; S645-F648 PolarHBondContact O-N 3.43Å; H646-F648 VanDerWaalsContact C-N 3.3Å; H646-F648 PolarHBondContact O-N 3.05Å; F648-L650 VanDerWaalsContact C-N 3.33Å; F648-L650 PolarHBondContact O-N 3.42Å; F648-A651 WeakPolarHBondContact O-CB 3.47Å; F648-A651 PolarHBondContact O-N 3.06Å; F648-Q652 HydrophobicContact CD1-CG 4.42Å; F648-Q652 VanDerWaalsContact CE1-CD 3.46Å; F648-Q652 HydrophobicContact CE1-CG 4.09Å; F648-Q652 VanDerWaalsContact CE1-NE2 3.31Å; F648-Q652 HydrophobicContact CZ-CG 4.18Å; F648-Q652 WeakPolarHBondContact O-CG 3.34Å; F648-Q652 PolarHBondContact O-N 3.29Å; F648-V680 HydrophobicContact CB-CG1 4.22Å; F648-V680 HydrophobicContact CB-CG2 3.97Å; F648-V680 HydrophobicContact CD2-CG1 4.29Å; F648-M695 HydrophobicContact CB-CE 4.44Å; F648-M695 HydrophobicContact CD1-CE 4.02Å; F648-M695 HydrophobicContact CD1-CG 4.22Å; F648-M695 HydrophobicContact CD2-CB 4.31Å; F648-M695 HydrophobicContact CD2-CG 4.05Å; F648-M695 HydrophobicContact CE1-CE 4.48Å; F648-M695 HydrophobicContact CE1-CG 3.94Å; F648-M695 HydrophobicContact CE2-CB 3.77Å; F648-M695 HydrophobicContact CE2-CG 3.75Å; F648-M695 HydrophobicContact CG-CE 4.14Å; F648-M695 HydrophobicContact CG-CG 4.27Å; F648-M695 HydrophobicContact CZ-CB 4.02Å; F648-M695 HydrophobicContact CZ-CG 3.7Å; F648-W698 HydrophobicContact CD2-CE3 4.37Å; F648-W698 HydrophobicContact CE2-CB 4.46Å; F648-W698 AromaticContact CE2-CD2 3.93Å; F648-W698 HydrophobicContact CE2-CD2 3.93Å; F648-W698 AromaticContact CE2-CE3 3.49Å; F648-W698 HydrophobicContact CE2-CE3 3.49Å; F648-W698 VanDerWaalsContact CE2-CE3 3.49Å; F648-W698 HydrophobicContact CE2-CG 4.35Å; F648-W698 HydrophobicContact CE2-CZ3 4.09Å; F648-W698 HydrophobicContact CZ-CB 4.13Å; F648-W698 HydrophobicContact CZ-CD2 4.06Å; F648-W698 HydrophobicContact CZ-CE3 4.1Å; F648-W698 HydrophobicContact CZ-CG 4.07Å
649	K	94.1	Very high	90.7	Very high	82 Å²	82	39.9 Å²	39.9	36%	0.357	20%	0.199	S	C	.	.	H	α-helix	trans	-58.8	-44.6	173.4	-177.1	-178.1	174	-172	0	111.2	S645 H646 A651 Q652 D653	S645-K649 PolarHBondContact O-N 3.34Å; H646-K649 PolarHBondContact O-N 3.04Å; K649-A651 PolarHBondContact O-N 2.95Å; K649-Q652 WeakPolarHBondContact O-CB 3.3Å; K649-Q652 PolarHBondContact O-N 3.43Å; K649-D653 PolarHBondContact O-N 2.94Å
650	L	94.4	Very high	90.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-40.5	176.5	-73.9	168.8	0	0	0	112.8	C613 A616 L620 I637 I641 H646 I647 F648 Q652 D653 A654 L676	C613-L650 WeakPolarHBondContact O-CD2 3.28Å; A616-L650 HydrophobicContact CB-CD1 3.84Å; A616-L650 HydrophobicContact CB-CD2 3.81Å; L620-L650 HydrophobicContact CD1-CD2 4.21Å; I637-L650 HydrophobicContact CD1-CD1 4.35Å; I637-L650 HydrophobicContact CG1-CD1 4.48Å; I637-L650 HydrophobicContact CG2-CD1 4.03Å; I641-L650 HydrophobicContact CD1-CD1 3.36Å; H646-L650 WeakPolarHBondContact O-CG 3.47Å; H646-L650 PolarHBondContact O-N 3.21Å; I647-L650 PolarHBondContact O-N 2.98Å; F648-L650 VanDerWaalsContact C-N 3.33Å; F648-L650 PolarHBondContact O-N 3.42Å; L650-Q652 VanDerWaalsContact C-N 3.32Å; L650-Q652 PolarHBondContact O-N 3.47Å; L650-D653 PolarHBondContact O-N 2.9Å; L650-A654 WeakPolarHBondContact O-CB 3.44Å; L650-A654 PolarHBondContact O-N 3.19Å; L650-L676 HydrophobicContact CB-CD1 4.15Å
651	A	94.7	Very high	88.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-44.6	173.8	0	0	0	0	0	110.8	I647 F648 K649 A654 F655 S673 L676 W698	I647-A651 PolarHBondContact O-N 3.01Å; F648-A651 WeakPolarHBondContact O-CB 3.47Å; F648-A651 PolarHBondContact O-N 3.06Å; K649-A651 PolarHBondContact O-N 2.95Å; A651-A654 PolarHBondContact O-N 2.81Å; A651-F655 WeakPolarHBondContact O-CB 3.46Å; A651-F655 PolarHBondContact O-N 2.79Å; A651-S673 PolarHBondContact O-OG 3.48Å; A651-S673 VanDerWaalsContact O-OG 3.04Å; A651-L676 HydrophobicContact CB-CB 3.77Å; A651-W698 HydrophobicContact CB-CH2 3.55Å; A651-W698 HydrophobicContact CB-CZ3 3.89Å
652	Q	94.1	Very high	87.1	Confident	60 Å²	60	53.5 Å²	53.5	28%	0.28	28%	0.275	S	S	.	.	H	α-helix	trans	-64.4	-40.9	176.3	-69.7	-174.2	-42.5	0	0	113.2	F648 K649 L650 F655 K656 W698	F648-Q652 HydrophobicContact CD1-CG 4.42Å; F648-Q652 VanDerWaalsContact CE1-CD 3.46Å; F648-Q652 HydrophobicContact CE1-CG 4.09Å; F648-Q652 VanDerWaalsContact CE1-NE2 3.31Å; F648-Q652 HydrophobicContact CZ-CG 4.18Å; F648-Q652 WeakPolarHBondContact O-CG 3.34Å; F648-Q652 PolarHBondContact O-N 3.29Å; K649-Q652 WeakPolarHBondContact O-CB 3.3Å; K649-Q652 PolarHBondContact O-N 3.43Å; L650-Q652 VanDerWaalsContact C-N 3.32Å; L650-Q652 PolarHBondContact O-N 3.47Å; Q652-F655 PolarHBondContact O-N 3.11Å; Q652-K656 VanDerWaalsContact O-CG 3.28Å; Q652-K656 WeakPolarHBondContact O-CG 3.36Å; Q652-K656 PolarHBondContact O-N 3.05Å; Q652-W698 HydrophobicContact CB-CZ2 4.35Å; Q652-W698 HydrophobicContact CG-CD2 4.3Å; Q652-W698 HydrophobicContact CG-CZ2 3.88Å
653	D	92.4	Very high	86.3	Confident	32 Å²	32	51.8 Å²	51.8	17%	0.171	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-44.5	178.6	-69.7	-15.3	0	0	0	110.7	K649 L650 F655 K656 I657	K649-D653 PolarHBondContact O-N 2.94Å; L650-D653 PolarHBondContact O-N 2.9Å; D653-F655 VanDerWaalsContact C-N 3.34Å; D653-F655 PolarHBondContact O-N 3.45Å; D653-K656 PolarHBondContact O-N 3.01Å; D653-K656 IonicContact OD1-NZ 3.72Å; D653-I657 WeakPolarHBondContact O-CD1 3.36Å; D653-I657 WeakPolarHBondContact O-CG1 3.41Å; D653-I657 PolarHBondContact O-N 2.81Å
654	A	93	Very high	85.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-44.6	173.8	0	0	0	0	0	112.1	L620 L650 A651 I657 A658 L669	L620-A654 HydrophobicContact CD1-CB 4.37Å; L650-A654 WeakPolarHBondContact O-CB 3.44Å; L650-A654 PolarHBondContact O-N 3.19Å; A651-A654 PolarHBondContact O-N 2.81Å; A654-I657 PolarHBondContact O-N 2.92Å; A654-A658 WeakPolarHBondContact O-CB 3.46Å; A654-A658 PolarHBondContact O-N 2.83Å; A654-L669 HydrophobicContact CB-CD1 4.17Å; A654-L669 HydrophobicContact CB-CG 4.4Å
655	F	92.9	Very high	85.3	Confident	29 Å²	29	60.1 Å²	60.1	13%	0.127	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-49.6	175.2	-176.3	-95.1	0	0	0	112	A651 Q652 D653 I657 A658 T659 L670 S673 W698 C702 E705	A651-F655 WeakPolarHBondContact O-CB 3.46Å; A651-F655 PolarHBondContact O-N 2.79Å; Q652-F655 PolarHBondContact O-N 3.11Å; D653-F655 VanDerWaalsContact C-N 3.34Å; D653-F655 PolarHBondContact O-N 3.45Å; F655-I657 VanDerWaalsContact C-N 3.32Å; F655-I657 PolarHBondContact O-N 3.48Å; F655-A658 WeakPolarHBondContact O-CB 3.4Å; F655-A658 PolarHBondContact O-N 3.34Å; F655-A658 VanDerWaalsContact O-N 3.11Å; F655-T659 HydrophobicContact CD1-CG2 4.4Å; F655-T659 HydrophobicContact CD2-CG2 4.49Å; F655-T659 HydrophobicContact CE1-CG2 4.05Å; F655-T659 HydrophobicContact CE2-CG2 4.14Å; F655-T659 HydrophobicContact CZ-CG2 3.93Å; F655-T659 WeakPolarHBondContact O-CG2 3.47Å; F655-T659 PolarHBondContact O-N 3.15Å; F655-T659 PolarHBondContact O-OG1 3.23Å; F655-L670 HydrophobicContact CD2-CD2 3.56Å; F655-L670 HydrophobicContact CE2-CD2 3.79Å; F655-L670 HydrophobicContact CG-CD2 4.47Å; F655-S673 WeakPolarHBondContact CB-OG 3.32Å; F655-W698 HydrophobicContact CB-CZ2 3.75Å; F655-W698 HydrophobicContact CG-CZ2 4.09Å; F655-C702 HydrophobicContact CD2-CB 4.16Å; F655-C702 HydrophobicContact CE2-CB 4.23Å; F655-E705 HydrophobicContact CE2-CB 4.04Å; F655-E705 HydrophobicContact CE2-CG 3.74Å; F655-E705 HydrophobicContact CZ-CG 3.74Å
656	K	91.9	Very high	85	Confident	123 Å²	123	58.1 Å²	58.1	54%	0.535	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-42.8	179	-72.6	168.8	-171.2	166.8	0	112	Q652 D653 A658 T659 L660	Q652-K656 VanDerWaalsContact O-CG 3.28Å; Q652-K656 WeakPolarHBondContact O-CG 3.36Å; Q652-K656 PolarHBondContact O-N 3.05Å; D653-K656 PolarHBondContact O-N 3.01Å; D653-K656 IonicContact OD1-NZ 3.72Å; K656-A658 VanDerWaalsContact C-N 3.28Å; K656-A658 PolarHBondContact O-N 3.08Å; K656-T659 PolarHBondContact O-N 3.16Å; K656-L660 PolarHBondContact O-N 3.05Å
657	I	88.3	Confident	84.8	Confident	22 Å²	22	61.4 Å²	61.4	11%	0.113	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-35	178.6	-64.3	158.8	0	0	0	111	T621 K624 D653 A654 F655 L660 L669	T621-I657 HydrophobicContact CG2-CD1 4.42Å; T621-I657 WeakPolarHBondContact OG1-CD1 3.49Å; K624-I657 HydrophobicContact CD-CG2 4.02Å; K624-I657 PolarHBondContact NZ-O 3Å; D653-I657 WeakPolarHBondContact O-CD1 3.36Å; D653-I657 WeakPolarHBondContact O-CG1 3.41Å; D653-I657 PolarHBondContact O-N 2.81Å; A654-I657 PolarHBondContact O-N 2.92Å; F655-I657 VanDerWaalsContact C-N 3.32Å; F655-I657 PolarHBondContact O-N 3.48Å; I657-L660 WeakPolarHBondContact O-CD1 3.19Å; I657-L669 HydrophobicContact CB-CD2 3.81Å; I657-L669 HydrophobicContact CG2-CD2 3.52Å
658	A	87.5	Confident	84.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-72.4	-32.1	178.9	0	0	0	0	0	112.7	A654 F655 K656 P665 D666 L669 L670	A654-A658 WeakPolarHBondContact O-CB 3.46Å; A654-A658 PolarHBondContact O-N 2.83Å; F655-A658 WeakPolarHBondContact O-CB 3.4Å; F655-A658 PolarHBondContact O-N 3.34Å; F655-A658 VanDerWaalsContact O-N 3.11Å; K656-A658 VanDerWaalsContact C-N 3.28Å; K656-A658 PolarHBondContact O-N 3.08Å; A658-P665 VanDerWaalsContact O-CA 3.25Å; A658-P665 WeakPolarHBondContact O-CA 3.45Å; A658-D666 PolarHBondContact O-N 3.42Å; A658-L669 HydrophobicContact CB-CB 3.94Å; A658-L669 HydrophobicContact CB-CD2 3.94Å; A658-L669 HydrophobicContact CB-CG 4.01Å; A658-L670 HydrophobicContact CB-CD2 3.72Å; A658-L670 HydrophobicContact CB-CG 3.73Å
659	T	85	Confident	84.4	Confident	50 Å²	50	62.9 Å²	62.9	31%	0.307	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	20.5	-175.7	65	0	0	0	0	114.3	F655 K656 M661 L670	F655-T659 HydrophobicContact CD1-CG2 4.4Å; F655-T659 HydrophobicContact CD2-CG2 4.49Å; F655-T659 HydrophobicContact CE1-CG2 4.05Å; F655-T659 HydrophobicContact CE2-CG2 4.14Å; F655-T659 HydrophobicContact CZ-CG2 3.93Å; F655-T659 WeakPolarHBondContact O-CG2 3.47Å; F655-T659 PolarHBondContact O-N 3.15Å; F655-T659 PolarHBondContact O-OG1 3.23Å; K656-T659 PolarHBondContact O-N 3.16Å; T659-M661 PolarHBondContact O-N 3.48Å; T659-L670 HydrophobicContact CG2-CD2 4.02Å
660	L	78.9	Confident	84.3	Confident	97 Å²	97	59 Å²	59	51%	0.508	31%	0.312	S	S	.	.			trans	-58	131.4	179	-82.3	160.4	0	0	0	111.3	K656 I657 D662 S663	K656-L660 PolarHBondContact O-N 3.05Å; I657-L660 WeakPolarHBondContact O-CD1 3.19Å; L660-D662 PolarHBondContact O-N 3.27Å; L660-S663 PolarHBondContact O-N 2.93Å
661	M	56.6	Low	84.2	Confident	187 Å²	187	64.7 Å²	64.7	92%	0.921	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.3	-163.4	-66.8	-179.9	66.9	0	0	115.8	T659	T659-M661 PolarHBondContact O-N 3.48Å
662	D	57.4	Low	84.1	Confident	171 Å²	171	65.2 Å²	65.2	91%	0.914	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	0.1	-174.7	-61.7	-39.2	0	0	0	114.1	L660	L660-D662 PolarHBondContact O-N 3.27Å
663	S	67.3	Low	84.1	Confident	60 Å²	60	62.3 Å²	62.3	42%	0.42	33%	0.326	S	S	.	.	S	Bend	trans	-141.1	153.6	-178	60	0	0	0	0	113	L660	L660-S663 PolarHBondContact O-N 2.93Å
664	L	74.8	Confident	84.2	Confident	164 Å²	164	61.4 Å²	61.4	86%	0.859	32%	0.322	S	S	*	.			trans	-54	141.8	167.7	-77.9	165.7	0	0	0	110.3	D666	L664-D666 PolarHBondContact O-N 2.98Å
665	P	79.6	Confident	84.3	Confident	66 Å²	66	65.3 Å²	65.3	43%	0.429	34%	0.34	S	S	.	.			trans	-63	131.3	-176.2	22.1	-30.6	0	0	0	111.6	A658 I667 L670	A658-P665 VanDerWaalsContact O-CA 3.25Å; A658-P665 WeakPolarHBondContact O-CA 3.45Å; P665-I667 PolarHBondContact O-N 3.43Å; P665-L670 HydrophobicContact CB-CD1 4.05Å
666	D	84.4	Confident	84.3	Confident	27 Å²	27	63.9 Å²	63.9	14%	0.144	33%	0.334	C	S	.	.			trans	-74.9	97.9	176.2	-174.2	-15.8	0	0	0	109.7	G625 A658 L664 T668 L669 L670	G625-D666 PolarHBondContact N-OD2 2.87Å; A658-D666 PolarHBondContact O-N 3.42Å; L664-D666 PolarHBondContact O-N 2.98Å; D666-T668 PolarHBondContact O-N 2.7Å; D666-T668 WeakPolarHBondContact OD1-CB 2.88Å; D666-T668 PolarHBondContact OD1-N 2.98Å; D666-T668 PolarHBondContact OD1-OG1 2.96Å; D666-L669 HydrophobicContact CB-CB 4.06Å; D666-L669 PolarHBondContact O-N 3.26Å; D666-L669 PolarHBondContact OD1-N 2.84Å; D666-L670 PolarHBondContact O-N 3.05Å
667	I	87.1	Confident	84.4	Confident	98 Å²	98	58.1 Å²	58.1	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-33.3	-179	-60.8	173.2	0	0	0	111.4	P665 L670 K671	P665-I667 PolarHBondContact O-N 3.43Å; I667-L670 PolarHBondContact O-N 3.28Å; I667-K671 WeakPolarHBondContact O-CG 3.2Å; I667-K671 PolarHBondContact O-N 3.02Å
668	T	88.3	Confident	84.6	Confident	52 Å²	52	57.8 Å²	57.8	32%	0.319	31%	0.307	S	S	.	.	H	α-helix	trans	-68.6	-42.1	-179.9	66.6	0	0	0	0	111.1	L630 D666 K671 V672	L630-T668 WeakPolarHBondContact CD1-OG1 3.24Å; D666-T668 PolarHBondContact O-N 2.7Å; D666-T668 WeakPolarHBondContact OD1-CB 2.88Å; D666-T668 PolarHBondContact OD1-N 2.98Å; D666-T668 PolarHBondContact OD1-OG1 2.96Å; T668-K671 WeakPolarHBondContact O-CB 3.47Å; T668-K671 PolarHBondContact O-N 3.45Å; T668-V672 WeakPolarHBondContact O-CG2 3.35Å; T668-V672 PolarHBondContact O-N 3.34Å; T668-V672 VanDerWaalsContact O-N 3.12Å
669	L	90.3	Very high	84.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.8	-34.3	177	-169.2	62.3	0	0	0	112.2	L630 A654 I657 A658 D666 K671 V672 S673	L630-L669 HydrophobicContact CD1-CD1 4.43Å; L630-L669 HydrophobicContact CD2-CD1 3.66Å; A654-L669 HydrophobicContact CB-CD1 4.17Å; A654-L669 HydrophobicContact CB-CG 4.4Å; I657-L669 HydrophobicContact CB-CD2 3.81Å; I657-L669 HydrophobicContact CG2-CD2 3.52Å; A658-L669 HydrophobicContact CB-CB 3.94Å; A658-L669 HydrophobicContact CB-CD2 3.94Å; A658-L669 HydrophobicContact CB-CG 4.01Å; D666-L669 HydrophobicContact CB-CB 4.06Å; D666-L669 PolarHBondContact O-N 3.26Å; D666-L669 PolarHBondContact OD1-N 2.84Å; L669-K671 VanDerWaalsContact C-N 3.32Å; L669-K671 PolarHBondContact O-N 3.37Å; L669-V672 PolarHBondContact O-N 3.42Å; L669-S673 WeakPolarHBondContact O-CB 3.29Å; L669-S673 PolarHBondContact O-N 3.49Å
670	L	91.7	Very high	85.1	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-38.5	170.8	-74.2	176.6	0	0	0	112.1	F655 A658 T659 P665 D666 I667 S673 L674 E705 V706	F655-L670 HydrophobicContact CD2-CD2 3.56Å; F655-L670 HydrophobicContact CE2-CD2 3.79Å; F655-L670 HydrophobicContact CG-CD2 4.47Å; A658-L670 HydrophobicContact CB-CD2 3.72Å; A658-L670 HydrophobicContact CB-CG 3.73Å; T659-L670 HydrophobicContact CG2-CD2 4.02Å; P665-L670 HydrophobicContact CB-CD1 4.05Å; D666-L670 PolarHBondContact O-N 3.05Å; I667-L670 PolarHBondContact O-N 3.28Å; L670-S673 WeakPolarHBondContact O-CB 3.31Å; L670-S673 PolarHBondContact O-N 3.43Å; L670-L674 WeakPolarHBondContact O-CB 3.49Å; L670-L674 PolarHBondContact O-N 3.36Å; L670-E705 HydrophobicContact CD1-CB 4.2Å; L670-E705 HydrophobicContact CD2-CB 4.45Å; L670-V706 HydrophobicContact CB-CG2 3.76Å
671	K	91.2	Very high	85.8	Confident	120 Å²	120	52.3 Å²	52.3	52%	0.522	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-43.9	173.2	-73.9	173.9	179.1	-178.1	0	111.7	I667 T668 L669 S673 L674 E675 V706	I667-K671 WeakPolarHBondContact O-CG 3.2Å; I667-K671 PolarHBondContact O-N 3.02Å; T668-K671 WeakPolarHBondContact O-CB 3.47Å; T668-K671 PolarHBondContact O-N 3.45Å; L669-K671 VanDerWaalsContact C-N 3.32Å; L669-K671 PolarHBondContact O-N 3.37Å; K671-S673 VanDerWaalsContact C-N 3.34Å; K671-S673 PolarHBondContact O-N 3.15Å; K671-L674 WeakPolarHBondContact O-CB 3.44Å; K671-L674 PolarHBondContact O-N 3.37Å; K671-E675 WeakPolarHBondContact O-CG 3.13Å; K671-E675 PolarHBondContact O-N 3.04Å; K671-V706 HydrophobicContact CG-CG1 4.14Å
672	V	93.4	Very high	87.4	Confident	10 Å²	10	49.6 Å²	49.6	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-45.7	174.3	173.7	0	0	0	0	111.1	L620 L630 L634 T668 L669 L674 E675 L676	L620-V672 HydrophobicContact CD2-CG1 3.91Å; L630-V672 HydrophobicContact CB-CG2 4.11Å; L634-V672 HydrophobicContact CB-CG1 4.31Å; L634-V672 HydrophobicContact CD1-CG1 4.19Å; L634-V672 HydrophobicContact CD2-CG1 4.49Å; L634-V672 HydrophobicContact CD2-CG2 4.39Å; T668-V672 WeakPolarHBondContact O-CG2 3.35Å; T668-V672 PolarHBondContact O-N 3.34Å; T668-V672 VanDerWaalsContact O-N 3.12Å; L669-V672 PolarHBondContact O-N 3.42Å; V672-L674 VanDerWaalsContact C-N 3.33Å; V672-L674 PolarHBondContact O-N 3.42Å; V672-E675 PolarHBondContact O-N 3Å; V672-L676 HydrophobicContact CG1-CD1 4.29Å; V672-L676 WeakPolarHBondContact O-CG 3.28Å; V672-L676 PolarHBondContact O-N 2.99Å
673	S	94.6	Very high	88.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-45.7	174.7	168.2	0	0	0	0	112	A651 F655 L669 L670 K671 G677 W698 C702	A651-S673 PolarHBondContact O-OG 3.48Å; A651-S673 VanDerWaalsContact O-OG 3.04Å; F655-S673 WeakPolarHBondContact CB-OG 3.32Å; L669-S673 WeakPolarHBondContact O-CB 3.29Å; L669-S673 PolarHBondContact O-N 3.49Å; L670-S673 WeakPolarHBondContact O-CB 3.31Å; L670-S673 PolarHBondContact O-N 3.43Å; K671-S673 VanDerWaalsContact C-N 3.34Å; K671-S673 PolarHBondContact O-N 3.15Å; S673-G677 PolarHBondContact O-N 2.99Å; S673-W698 WeakPolarHBondContact OG-CH2 3.39Å; S673-C702 PolarHBondContact OG-SG 3.28Å
674	L	94.4	Very high	89.8	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-47.3	177.6	-178.7	65.6	0	0	0	111.4	L670 K671 V672 L676 G677 L678 L699 A703 V706 A710	L670-L674 WeakPolarHBondContact O-CB 3.49Å; L670-L674 PolarHBondContact O-N 3.36Å; K671-L674 WeakPolarHBondContact O-CB 3.44Å; K671-L674 PolarHBondContact O-N 3.37Å; V672-L674 VanDerWaalsContact C-N 3.33Å; V672-L674 PolarHBondContact O-N 3.42Å; L674-L676 PolarHBondContact O-N 3.39Å; L674-G677 CarbonylContact O-C 3.58Å; L674-G677 WeakPolarHBondContact O-CA 3.43Å; L674-G677 PolarHBondContact O-N 2.97Å; L674-G677 VanDerWaalsContact O-N 3.13Å; L674-L678 HydrophobicContact CD1-CG 4.48Å; L674-L678 HydrophobicContact CG-CD1 4.21Å; L674-L678 HydrophobicContact CG-CG 4.43Å; L674-L678 VanDerWaalsContact O-CG 3.3Å; L674-L678 WeakPolarHBondContact O-CG 3.4Å; L674-L678 PolarHBondContact O-N 3.45Å; L674-L699 HydrophobicContact CD1-CD1 3.75Å; L674-L699 HydrophobicContact CD1-CG 4.41Å; L674-A703 HydrophobicContact CD1-CB 3.91Å; L674-V706 HydrophobicContact CB-CG2 4.23Å; L674-V706 HydrophobicContact CD2-CB 4.46Å; L674-V706 HydrophobicContact CD2-CG1 4.37Å; L674-V706 HydrophobicContact CD2-CG2 4.18Å; L674-A710 HydrophobicContact CD2-CB 3.69Å
675	E	94.1	Very high	90.3	Very high	81 Å²	81	36.7 Å²	36.7	38%	0.379	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-43.9	179	-73.8	-61.9	155.9	0	0	112.6	L634 K671 V672 G677 L678 Q679	L634-E675 HydrophobicContact CD1-CB 4.37Å; L634-E675 HydrophobicContact CD2-CB 3.96Å; L634-E675 HydrophobicContact CD2-CG 4.28Å; K671-E675 WeakPolarHBondContact O-CG 3.13Å; K671-E675 PolarHBondContact O-N 3.04Å; V672-E675 PolarHBondContact O-N 3Å; E675-G677 VanDerWaalsContact C-N 3.34Å; E675-G677 PolarHBondContact O-N 3.29Å; E675-L678 PolarHBondContact O-N 2.71Å; E675-Q679 PolarHBondContact O-N 3.39Å
676	L	93.8	Very high	90.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-43.2	173.4	-67.9	176.3	0	0	0	111.3	L634 I637 I647 L650 A651 V672 L674 L678 Q679 V680	L634-L676 HydrophobicContact CD1-CD2 3.43Å; L634-L676 VanDerWaalsContact CD1-CD2 3.43Å; L634-L676 HydrophobicContact CD1-CG 3.71Å; I637-L676 HydrophobicContact CB-CD2 4.3Å; I637-L676 HydrophobicContact CG2-CD2 3.52Å; I647-L676 HydrophobicContact CG2-CB 4.22Å; I647-L676 HydrophobicContact CG2-CD2 4.19Å; L650-L676 HydrophobicContact CB-CD1 4.15Å; A651-L676 HydrophobicContact CB-CB 3.77Å; V672-L676 HydrophobicContact CG1-CD1 4.29Å; V672-L676 WeakPolarHBondContact O-CG 3.28Å; V672-L676 PolarHBondContact O-N 2.99Å; L674-L676 PolarHBondContact O-N 3.39Å; L676-L678 VanDerWaalsContact C-N 3.34Å; L676-L678 PolarHBondContact O-N 2.9Å; L676-Q679 WeakPolarHBondContact O-CB 3.34Å; L676-Q679 PolarHBondContact O-N 3.41Å; L676-V680 WeakPolarHBondContact O-CG2 3.42Å; L676-V680 PolarHBondContact O-N 2.93Å; L676-V680 VanDerWaalsContact O-N 3.08Å
677	G	93.7	Very high	89.9	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-40	175.3	0	0	0	0	0	113.2	S673 L674 E675 V680 M681	S673-G677 PolarHBondContact O-N 2.99Å; L674-G677 CarbonylContact O-C 3.58Å; L674-G677 WeakPolarHBondContact O-CA 3.43Å; L674-G677 PolarHBondContact O-N 2.97Å; L674-G677 VanDerWaalsContact O-N 3.13Å; E675-G677 VanDerWaalsContact C-N 3.34Å; E675-G677 PolarHBondContact O-N 3.29Å; G677-V680 PolarHBondContact O-N 3.47Å; G677-M681 PolarHBondContact O-N 3.18Å; G677-M681 VanDerWaalsContact O-N 3.08Å
678	L	93.1	Very high	89	Confident	15 Å²	15	45.1 Å²	45.1	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-40.5	175.3	-69.1	172.9	0	0	0	111.6	L674 E675 L676 V680 M681 R682 L699 I714 L721	L674-L678 HydrophobicContact CD1-CG 4.48Å; L674-L678 HydrophobicContact CG-CD1 4.21Å; L674-L678 HydrophobicContact CG-CG 4.43Å; L674-L678 VanDerWaalsContact O-CG 3.3Å; L674-L678 WeakPolarHBondContact O-CG 3.4Å; L674-L678 PolarHBondContact O-N 3.45Å; E675-L678 PolarHBondContact O-N 2.71Å; L676-L678 VanDerWaalsContact C-N 3.34Å; L676-L678 PolarHBondContact O-N 2.9Å; L678-V680 VanDerWaalsContact C-N 3.34Å; L678-V680 PolarHBondContact O-N 2.92Å; L678-M681 WeakPolarHBondContact O-CB 3.48Å; L678-M681 PolarHBondContact O-N 3.28Å; L678-R682 WeakPolarHBondContact O-CG 3.4Å; L678-R682 PolarHBondContact O-N 3.42Å; L678-R682 VanDerWaalsContact O-N 3.07Å; L678-L699 HydrophobicContact CD2-CD1 4.46Å; L678-L699 HydrophobicContact CD2-CD2 3.92Å; L678-I714 HydrophobicContact CD2-CG2 3.79Å; L678-L721 HydrophobicContact CB-CD2 4.48Å; L678-L721 HydrophobicContact CD2-CD1 3.66Å; L678-L721 HydrophobicContact CD2-CD2 3.94Å; L678-L721 HydrophobicContact CD2-CG 4.43Å
679	Q	91.3	Very high	88.4	Confident	32 Å²	32	44.6 Å²	44.6	15%	0.15	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-44.3	173.9	-172	-172.8	5.2	0	0	111.4	Q638 E675 L676 M681 R682 I683	Q638-Q679 PolarHBondContact O-NE2 2.81Å; E675-Q679 PolarHBondContact O-N 3.39Å; L676-Q679 WeakPolarHBondContact O-CB 3.34Å; L676-Q679 PolarHBondContact O-N 3.41Å; Q679-M681 VanDerWaalsContact C-N 3.29Å; Q679-M681 PolarHBondContact O-N 2.88Å; Q679-R682 PolarHBondContact O-N 3.2Å; Q679-I683 HydrophobicContact CG-CD1 3.97Å; Q679-I683 WeakPolarHBondContact O-CG1 3.28Å; Q679-I683 PolarHBondContact O-N 3.43Å
680	V	91.3	Very high	87.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-41.3	175.6	176.7	0	0	0	0	110.9	I647 F648 L676 G677 L678 R682 I683 T684 M695	I647-V680 HydrophobicContact CB-CG2 3.8Å; I647-V680 HydrophobicContact CG2-CG2 3.52Å; F648-V680 HydrophobicContact CB-CG1 4.22Å; F648-V680 HydrophobicContact CB-CG2 3.97Å; F648-V680 HydrophobicContact CD2-CG1 4.29Å; L676-V680 WeakPolarHBondContact O-CG2 3.42Å; L676-V680 PolarHBondContact O-N 2.93Å; L676-V680 VanDerWaalsContact O-N 3.08Å; G677-V680 PolarHBondContact O-N 3.47Å; L678-V680 VanDerWaalsContact C-N 3.34Å; L678-V680 PolarHBondContact O-N 2.92Å; V680-R682 PolarHBondContact O-N 2.89Å; V680-I683 PolarHBondContact O-N 2.87Å; V680-T684 HydrophobicContact CG1-CG2 4.09Å; V680-T684 WeakPolarHBondContact O-CB 3.12Å; V680-T684 WeakPolarHBondContact O-CG2 3.32Å; V680-T684 PolarHBondContact O-N 3.25Å; V680-T684 PolarHBondContact O-OG1 3.37Å; V680-M695 HydrophobicContact CG1-SD 4.01Å
681	M	92.8	Very high	87.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-41.9	178.4	-71.3	-52.5	101.9	0	0	112.2	G677 L678 Q679 T684 L685 R692 M695 V696 L699 L721 F722	G677-M681 PolarHBondContact O-N 3.18Å; G677-M681 VanDerWaalsContact O-N 3.08Å; L678-M681 WeakPolarHBondContact O-CB 3.48Å; L678-M681 PolarHBondContact O-N 3.28Å; Q679-M681 VanDerWaalsContact C-N 3.29Å; Q679-M681 PolarHBondContact O-N 2.88Å; M681-T684 PolarHBondContact O-N 3.25Å; M681-L685 WeakPolarHBondContact O-CB 3.18Å; M681-L685 PolarHBondContact O-N 2.84Å; M681-L685 VanDerWaalsContact O-N 3.11Å; M681-R692 PolarHBondContact O-NH1 3.46Å; M681-R692 VanDerWaalsContact O-NH1 3.11Å; M681-M695 HydrophobicContact CE-CB 3.46Å; M681-M695 VanDerWaalsContact CE-CB 3.46Å; M681-V696 HydrophobicContact SD-CG2 3.67Å; M681-L699 HydrophobicContact CG-CD2 3.44Å; M681-L699 VanDerWaalsContact CG-CD2 3.44Å; M681-L699 HydrophobicContact SD-CD2 4.44Å; M681-L721 HydrophobicContact CB-CB 4.4Å; M681-L721 HydrophobicContact CB-CD2 4.22Å; M681-F722 HydrophobicContact CG-CE1 4.03Å; M681-F722 HydrophobicContact SD-CD1 4.49Å; M681-F722 HydrophobicContact SD-CE1 4.11Å
682	R	90.6	Very high	87.1	Confident	130 Å²	130	55.3 Å²	55.3	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-44.7	176.6	-66.4	177.3	-169	162.4	7.2	111.8	L678 Q679 V680 L721	L678-R682 WeakPolarHBondContact O-CG 3.4Å; L678-R682 PolarHBondContact O-N 3.42Å; L678-R682 VanDerWaalsContact O-N 3.07Å; Q679-R682 PolarHBondContact O-N 3.2Å; V680-R682 PolarHBondContact O-N 2.89Å; R682-L721 HydrophobicContact CG-CD2 3.84Å
683	I	86.6	Confident	86.8	Confident	61 Å²	61	62.3 Å²	62.3	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-65.4	-42.3	178.8	-65.6	167.7	0	0	0	110.6	I647 Q679 V680 L685	I647-I683 HydrophobicContact CD1-CD1 3.82Å; Q679-I683 HydrophobicContact CG-CD1 3.97Å; Q679-I683 WeakPolarHBondContact O-CG1 3.28Å; Q679-I683 PolarHBondContact O-N 3.43Å; V680-I683 PolarHBondContact O-N 2.87Å; I683-L685 PolarHBondContact O-N 2.83Å
684	T	88.6	Confident	86.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-84.6	-4.9	-173.1	58.8	0	0	0	0	114.4	V680 M681 S686 T687 R692	V680-T684 HydrophobicContact CG1-CG2 4.09Å; V680-T684 WeakPolarHBondContact O-CB 3.12Å; V680-T684 WeakPolarHBondContact O-CG2 3.32Å; V680-T684 PolarHBondContact O-N 3.25Å; V680-T684 PolarHBondContact O-OG1 3.37Å; M681-T684 PolarHBondContact O-N 3.25Å; T684-S686 VanDerWaalsContact C-N 3.34Å; T684-S686 PolarHBondContact O-N 3.39Å; T684-T687 WeakPolarHBondContact CA-OG1 3.31Å; T684-T687 PolarHBondContact O-N 3.36Å; T684-R692 PolarHBondContact O-NH1 3.25Å; T684-R692 PolarHBondContact OG1-NH1 2.94Å
685	L	86.2	Confident	86.5	Confident	63 Å²	63	67.6 Å²	67.6	33%	0.33	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-36.6	-176.5	-175.5	65.2	0	0	0	112.3	M681 I683 R692 T723	M681-L685 WeakPolarHBondContact O-CB 3.18Å; M681-L685 PolarHBondContact O-N 2.84Å; M681-L685 VanDerWaalsContact O-N 3.11Å; I683-L685 PolarHBondContact O-N 2.83Å; L685-R692 VanDerWaalsContact CD1-NH2 3.34Å; L685-R692 VanDerWaalsContact N-NH1 3.19Å; L685-T723 HydrophobicContact CD1-CG2 4.15Å
686	S	77.7	Confident	86.5	Confident	106 Å²	106	63.8 Å²	63.8	74%	0.741	30%	0.298	S	S	*	.	S	Bend	trans	-96.6	-9.4	-179.7	57.2	0	0	0	0	114.2	T684	T684-S686 VanDerWaalsContact C-N 3.34Å; T684-S686 PolarHBondContact O-N 3.39Å
687	T	76.6	Confident	86.4	Confident	71 Å²	71	69.4 Å²	69.4	44%	0.436	32%	0.319	S	S	.	.	S	Bend	trans	-108.5	134.7	-176.8	56.7	0	0	0	0	111.4	T684 N689	T684-T687 WeakPolarHBondContact CA-OG1 3.31Å; T684-T687 PolarHBondContact O-N 3.36Å; T687-N689 PolarHBondContact O-N 2.64Å
688	L	67.7	Low	86.4	Confident	192 Å²	192	71.2 Å²	71.2	100%	1.005	33%	0.326	S	S	*	.			trans	-64.3	105	174.3	-70.6	162.6	0	0	0	110.3
689	N	75.8	Confident	86.5	Confident	41 Å²	41	70.5 Å²	70.5	22%	0.219	32%	0.322	C	S	.	.			trans	-122.8	115.6	174.8	-173.7	-22.1	0	0	0	109.7	T687 R691 R692	T687-N689 PolarHBondContact O-N 2.64Å; N689-R691 PolarHBondContact O-N 3.1Å; N689-R691 PolarHBondContact OD1-N 3.03Å; N689-R692 HydrophobicContact CB-CB 4.31Å; N689-R692 VanDerWaalsContact O-CB 3.23Å; N689-R692 WeakPolarHBondContact O-CB 3.19Å; N689-R692 PolarHBondContact O-N 3.37Å; N689-R692 VanDerWaalsContact O-N 3.08Å
690	W	73.4	Confident	86.6	Confident	201 Å²	201	69 Å²	69	76%	0.761	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.6	-177.1	67.2	-92.7	0	0	0	113.4
691	R	83.7	Confident	86.7	Confident	128 Å²	128	71.3 Å²	71.3	48%	0.483	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.5	176.2	-67.2	-170	178.2	179.5	-1	114.2	N689 R693 E694 M695	N689-R691 PolarHBondContact O-N 3.1Å; N689-R691 PolarHBondContact OD1-N 3.03Å; R691-R693 VanDerWaalsContact C-N 3.31Å; R691-R693 PolarHBondContact O-N 3.35Å; R691-E694 WeakPolarHBondContact O-CB 3.02Å; R691-E694 PolarHBondContact O-N 3.1Å; R691-M695 HydrophobicContact CB-CE 4.13Å; R691-M695 PolarHBondContact O-N 2.75Å; R691-M695 VanDerWaalsContact O-N 3.12Å
692	R	89	Confident	86.7	Confident	16 Å²	16	71.3 Å²	71.3	6%	0.06	33%	0.329	C	S	.	.	H	α-helix	trans	-54.6	-42.7	-171.6	-176.8	173.5	165.4	84.5	5.3	113.3	M681 T684 L685 N689 E694 M695 V696 L721 E726	M681-R692 PolarHBondContact O-NH1 3.46Å; M681-R692 VanDerWaalsContact O-NH1 3.11Å; T684-R692 PolarHBondContact O-NH1 3.25Å; T684-R692 PolarHBondContact OG1-NH1 2.94Å; L685-R692 VanDerWaalsContact CD1-NH2 3.34Å; L685-R692 VanDerWaalsContact N-NH1 3.19Å; N689-R692 HydrophobicContact CB-CB 4.31Å; N689-R692 VanDerWaalsContact O-CB 3.23Å; N689-R692 WeakPolarHBondContact O-CB 3.19Å; N689-R692 PolarHBondContact O-N 3.37Å; N689-R692 VanDerWaalsContact O-N 3.08Å; R692-E694 VanDerWaalsContact C-N 3.28Å; R692-E694 PolarHBondContact O-N 3.41Å; R692-M695 WeakPolarHBondContact O-CB 3.4Å; R692-M695 PolarHBondContact O-N 3.45Å; R692-M695 VanDerWaalsContact O-N 3.13Å; R692-V696 HydrophobicContact CG-CG2 4.42Å; R692-V696 WeakPolarHBondContact O-CG2 3.43Å; R692-V696 PolarHBondContact O-N 3.48Å; R692-L721 PolarHBondContact NH2-O 3.46Å; R692-E726 VanDerWaalsContact CD-OE1 3.31Å; R692-E726 WeakPolarHBondContact CD-OE1 3.39Å; R692-E726 WeakPolarHBondContact CG-OE1 3.37Å; R692-E726 IonicContact CZ-OE1 3.97Å; R692-E726 IonicContact CZ-OE2 3.28Å; R692-E726 IonicContact NE-OE1 3.25Å; R692-E726 PolarHBondContact NE-OE1 2.98Å; R692-E726 IonicContact NE-OE2 2.67Å; R692-E726 PolarHBondContact NE-OE2 3.02Å; R692-E726 VanDerWaalsContact NE-OE2 3.08Å; R692-E726 IonicContact NH2-OE2 2.82Å; R692-E726 PolarHBondContact NH2-OE2 3.14Å
693	R	88.8	Confident	86.8	Confident	158 Å²	158	65.1 Å²	65.1	60%	0.596	31%	0.306	S	S	*	.	H	α-helix	trans	-60.2	-36	177.9	-69.6	-173.9	-179.9	-165.1	-0.3	113.2	R691 R697 I730	R691-R693 VanDerWaalsContact C-N 3.31Å; R691-R693 PolarHBondContact O-N 3.35Å; R693-R697 WeakPolarHBondContact O-CG 3.31Å; R693-R697 PolarHBondContact O-N 3.02Å; R693-R697 PolarHBondContact O-NH1 3.05Å; R693-I730 HydrophobicContact CB-CD1 4.32Å; R693-I730 HydrophobicContact CG-CD1 4.39Å
694	E	89.8	Confident	87	Confident	114 Å²	114	62.4 Å²	62.4	53%	0.533	29%	0.292	S	S	.	.	H	α-helix	trans	-70.1	-41.7	175.7	-64.5	175.1	173.9	0	0	111	R691 R692 V696 R697 W698	R691-E694 WeakPolarHBondContact O-CB 3.02Å; R691-E694 PolarHBondContact O-N 3.1Å; R692-E694 VanDerWaalsContact C-N 3.28Å; R692-E694 PolarHBondContact O-N 3.41Å; E694-V696 VanDerWaalsContact C-N 3.33Å; E694-V696 PolarHBondContact O-N 2.95Å; E694-R697 PolarHBondContact O-N 3.06Å; E694-W698 WeakPolarHBondContact O-CB 3.48Å; E694-W698 PolarHBondContact O-N 3.49Å
695	M	92.4	Very high	87	Confident	10 Å²	10	66.1 Å²	66.1	5%	0.049	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-40.3	175.8	-59.6	173.3	168.8	0	0	111.8	F648 V680 M681 R691 R692 W698 L699	F648-M695 HydrophobicContact CB-CE 4.44Å; F648-M695 HydrophobicContact CD1-CE 4.02Å; F648-M695 HydrophobicContact CD1-CG 4.22Å; F648-M695 HydrophobicContact CD2-CB 4.31Å; F648-M695 HydrophobicContact CD2-CG 4.05Å; F648-M695 HydrophobicContact CE1-CE 4.48Å; F648-M695 HydrophobicContact CE1-CG 3.94Å; F648-M695 HydrophobicContact CE2-CB 3.77Å; F648-M695 HydrophobicContact CE2-CG 3.75Å; F648-M695 HydrophobicContact CG-CE 4.14Å; F648-M695 HydrophobicContact CG-CG 4.27Å; F648-M695 HydrophobicContact CZ-CB 4.02Å; F648-M695 HydrophobicContact CZ-CG 3.7Å; V680-M695 HydrophobicContact CG1-SD 4.01Å; M681-M695 HydrophobicContact CE-CB 3.46Å; M681-M695 VanDerWaalsContact CE-CB 3.46Å; R691-M695 HydrophobicContact CB-CE 4.13Å; R691-M695 PolarHBondContact O-N 2.75Å; R691-M695 VanDerWaalsContact O-N 3.12Å; R692-M695 WeakPolarHBondContact O-CB 3.4Å; R692-M695 PolarHBondContact O-N 3.45Å; R692-M695 VanDerWaalsContact O-N 3.13Å; M695-W698 PolarHBondContact O-N 2.97Å; M695-L699 WeakPolarHBondContact O-CB 3.38Å; M695-L699 PolarHBondContact O-N 3.18Å
696	V	93	Very high	87.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-47.7	174.7	174.5	0	0	0	0	111	M681 R692 E694 W698 L699 V700 F722 E726 I730 V731	M681-V696 HydrophobicContact SD-CG2 3.67Å; R692-V696 HydrophobicContact CG-CG2 4.42Å; R692-V696 WeakPolarHBondContact O-CG2 3.43Å; R692-V696 PolarHBondContact O-N 3.48Å; E694-V696 VanDerWaalsContact C-N 3.33Å; E694-V696 PolarHBondContact O-N 2.95Å; V696-W698 VanDerWaalsContact C-N 3.31Å; V696-W698 PolarHBondContact O-N 3.26Å; V696-L699 PolarHBondContact O-N 3.35Å; V696-V700 WeakPolarHBondContact O-CG2 3.39Å; V696-V700 PolarHBondContact O-N 3.21Å; V696-F722 HydrophobicContact CG1-CD1 4Å; V696-F722 HydrophobicContact CG1-CE1 3.89Å; V696-F722 HydrophobicContact CG2-CD1 3.98Å; V696-F722 HydrophobicContact CG2-CE1 4.15Å; V696-E726 HydrophobicContact CG2-CG 4.45Å; V696-I730 HydrophobicContact CB-CD1 4.47Å; V696-I730 HydrophobicContact CG1-CB 4.22Å; V696-I730 HydrophobicContact CG1-CD1 4.25Å; V696-I730 HydrophobicContact CG1-CG2 3.95Å; V696-V731 HydrophobicContact CG1-CG2 4.05Å
697	R	92.4	Very high	87.8	Confident	118 Å²	118	60.3 Å²	60.3	45%	0.445	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-42.2	177.2	-71.2	-178.8	-159.6	106.6	-6.2	112.1	R693 E694 V700 T701 I730	R693-R697 WeakPolarHBondContact O-CG 3.31Å; R693-R697 PolarHBondContact O-N 3.02Å; R693-R697 PolarHBondContact O-NH1 3.05Å; E694-R697 PolarHBondContact O-N 3.06Å; R697-V700 PolarHBondContact O-N 3.13Å; R697-T701 PolarHBondContact O-N 3.33Å; R697-T701 VanDerWaalsContact O-N 3.08Å; R697-T701 PolarHBondContact O-OG1 3.17Å; R697-I730 HydrophobicContact CB-CG2 4.49Å; R697-I730 HydrophobicContact CG-CD1 4.5Å; R697-I730 HydrophobicContact CG-CG2 3.57Å
698	W	94.6	Very high	88.4	Confident	40 Å²	40	58.5 Å²	58.5	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-43.4	176.9	-180	85.4	0	0	0	111.4	F648 A651 Q652 F655 S673 E694 M695 V696 V700 T701 C702	F648-W698 HydrophobicContact CD2-CE3 4.37Å; F648-W698 HydrophobicContact CE2-CB 4.46Å; F648-W698 AromaticContact CE2-CD2 3.93Å; F648-W698 HydrophobicContact CE2-CD2 3.93Å; F648-W698 AromaticContact CE2-CE3 3.49Å; F648-W698 HydrophobicContact CE2-CE3 3.49Å; F648-W698 VanDerWaalsContact CE2-CE3 3.49Å; F648-W698 HydrophobicContact CE2-CG 4.35Å; F648-W698 HydrophobicContact CE2-CZ3 4.09Å; F648-W698 HydrophobicContact CZ-CB 4.13Å; F648-W698 HydrophobicContact CZ-CD2 4.06Å; F648-W698 HydrophobicContact CZ-CE3 4.1Å; F648-W698 HydrophobicContact CZ-CG 4.07Å; A651-W698 HydrophobicContact CB-CH2 3.55Å; A651-W698 HydrophobicContact CB-CZ3 3.89Å; Q652-W698 HydrophobicContact CB-CZ2 4.35Å; Q652-W698 HydrophobicContact CG-CD2 4.3Å; Q652-W698 HydrophobicContact CG-CZ2 3.88Å; F655-W698 HydrophobicContact CB-CZ2 3.75Å; F655-W698 HydrophobicContact CG-CZ2 4.09Å; S673-W698 WeakPolarHBondContact OG-CH2 3.39Å; E694-W698 WeakPolarHBondContact O-CB 3.48Å; E694-W698 PolarHBondContact O-N 3.49Å; M695-W698 PolarHBondContact O-N 2.97Å; V696-W698 VanDerWaalsContact C-N 3.31Å; V696-W698 PolarHBondContact O-N 3.26Å; W698-V700 PolarHBondContact O-N 3.16Å; W698-T701 WeakPolarHBondContact O-CA 3.21Å; W698-T701 WeakPolarHBondContact O-CB 3.44Å; W698-T701 PolarHBondContact O-N 2.94Å; W698-T701 VanDerWaalsContact O-N 3.12Å; W698-C702 HydrophobicContact CH2-CB 4.32Å; W698-C702 HydrophobicContact CZ3-CB 4.39Å; W698-C702 PolarHBondContact O-N 3.06Å
699	L	95.2	Very high	89.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-43.6	177.8	-176.3	72.6	0	0	0	112	L674 L678 M681 M695 V696 T701 C702 A703 F722	L674-L699 HydrophobicContact CD1-CD1 3.75Å; L674-L699 HydrophobicContact CD1-CG 4.41Å; L678-L699 HydrophobicContact CD2-CD1 4.46Å; L678-L699 HydrophobicContact CD2-CD2 3.92Å; M681-L699 HydrophobicContact CG-CD2 3.44Å; M681-L699 VanDerWaalsContact CG-CD2 3.44Å; M681-L699 HydrophobicContact SD-CD2 4.44Å; M695-L699 WeakPolarHBondContact O-CB 3.38Å; M695-L699 PolarHBondContact O-N 3.18Å; V696-L699 PolarHBondContact O-N 3.35Å; L699-T701 VanDerWaalsContact C-N 3.28Å; L699-T701 PolarHBondContact O-N 3.43Å; L699-C702 WeakPolarHBondContact O-CB 3.45Å; L699-C702 PolarHBondContact O-N 3.46Å; L699-A703 PolarHBondContact O-N 3.27Å; L699-F722 HydrophobicContact CD2-CE1 3.96Å; L699-F722 HydrophobicContact CD2-CZ 3.78Å
700	V	93.2	Very high	90.2	Very high	0 Å²	0	58 Å²	58	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-40.7	176.1	177.6	0	0	0	0	110.4	V696 R697 W698 C702 A703 T704 L711 I714 V731 T734	V696-V700 WeakPolarHBondContact O-CG2 3.39Å; V696-V700 PolarHBondContact O-N 3.21Å; R697-V700 PolarHBondContact O-N 3.13Å; W698-V700 PolarHBondContact O-N 3.16Å; V700-C702 PolarHBondContact O-N 3.35Å; V700-A703 PolarHBondContact O-N 2.92Å; V700-T704 PolarHBondContact O-N 2.9Å; V700-T704 PolarHBondContact O-OG1 3.35Å; V700-L711 HydrophobicContact CG1-CD2 4.35Å; V700-I714 HydrophobicContact CG2-CD1 4.5Å; V700-V731 HydrophobicContact CG2-CB 4.25Å; V700-V731 HydrophobicContact CG2-CG1 4.17Å; V700-V731 HydrophobicContact CG2-CG2 3.82Å; V700-T734 HydrophobicContact CG1-CG2 3.7Å
701	T	91.9	Very high	91.1	Very high	49 Å²	49	48.5 Å²	48.5	30%	0.301	21%	0.214	S	C	.	.	H	α-helix	trans	-60.6	-45.6	174.7	-55.2	0	0	0	0	111.1	R697 W698 L699 A703 T704 E705	R697-T701 PolarHBondContact O-N 3.33Å; R697-T701 VanDerWaalsContact O-N 3.08Å; R697-T701 PolarHBondContact O-OG1 3.17Å; W698-T701 WeakPolarHBondContact O-CA 3.21Å; W698-T701 WeakPolarHBondContact O-CB 3.44Å; W698-T701 PolarHBondContact O-N 2.94Å; W698-T701 VanDerWaalsContact O-N 3.12Å; L699-T701 VanDerWaalsContact C-N 3.28Å; L699-T701 PolarHBondContact O-N 3.43Å; T701-A703 PolarHBondContact O-N 3.28Å; T701-T704 WeakPolarHBondContact O-CB 3.11Å; T701-T704 PolarHBondContact O-N 2.94Å; T701-E705 PolarHBondContact O-N 3.3Å; T701-E705 VanDerWaalsContact O-N 3.17Å
702	C	92.9	Very high	91.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-43.4	175.9	-173.6	0	0	0	0	112	F655 S673 W698 L699 V700 T704 E705 V706	F655-C702 HydrophobicContact CD2-CB 4.16Å; F655-C702 HydrophobicContact CE2-CB 4.23Å; S673-C702 PolarHBondContact OG-SG 3.28Å; W698-C702 HydrophobicContact CH2-CB 4.32Å; W698-C702 HydrophobicContact CZ3-CB 4.39Å; W698-C702 PolarHBondContact O-N 3.06Å; L699-C702 WeakPolarHBondContact O-CB 3.45Å; L699-C702 PolarHBondContact O-N 3.46Å; V700-C702 PolarHBondContact O-N 3.35Å; C702-T704 VanDerWaalsContact C-N 3.32Å; C702-T704 PolarHBondContact O-N 2.85Å; C702-E705 PolarHBondContact O-N 3.02Å; C702-V706 WeakPolarHBondContact O-CG2 3.41Å; C702-V706 PolarHBondContact O-N 2.78Å; C702-V706 VanDerWaalsContact O-N 3.1Å
703	A	93.1	Very high	91.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-35.5	177.7	0	0	0	0	0	112.3	L674 L699 V700 T701 E705 V706 G707 A710 L711 I714	L674-A703 HydrophobicContact CD1-CB 3.91Å; L699-A703 PolarHBondContact O-N 3.27Å; V700-A703 PolarHBondContact O-N 2.92Å; T701-A703 PolarHBondContact O-N 3.28Å; A703-E705 VanDerWaalsContact C-N 3.35Å; A703-V706 PolarHBondContact O-N 3.28Å; A703-G707 PolarHBondContact O-N 2.82Å; A703-A710 HydrophobicContact CB-CB 4.32Å; A703-L711 HydrophobicContact CB-CD2 3.65Å; A703-L711 HydrophobicContact CB-CG 4.31Å; A703-I714 HydrophobicContact CB-CD1 3.93Å
704	T	91.2	Very high	91.8	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-40.6	172.5	-58.7	0	0	0	0	111.8	V700 T701 C702 T740 R743 L744	V700-T704 PolarHBondContact O-N 2.9Å; V700-T704 PolarHBondContact O-OG1 3.35Å; T701-T704 WeakPolarHBondContact O-CB 3.11Å; T701-T704 PolarHBondContact O-N 2.94Å; C702-T704 VanDerWaalsContact C-N 3.32Å; C702-T704 PolarHBondContact O-N 2.85Å; T704-T740 HydrophobicContact CG2-CG2 4.13Å; T704-R743 HydrophobicContact CG2-CB 4.41Å; T704-L744 HydrophobicContact CG2-CD1 4.08Å; T704-L744 HydrophobicContact CG2-CD2 4.47Å; T704-L744 HydrophobicContact CG2-CG 3.94Å; T704-L744 WeakPolarHBondContact O-CD2 3.16Å
705	E	89.2	Confident	92	Very high	77 Å²	77	34 Å²	34	36%	0.36	17%	0.168	S	C	.	.	H	α-helix	trans	-72.6	-27	177	-57.8	-54.8	140	0	0	112.9	F655 L670 T701 C702 A703 R743	F655-E705 HydrophobicContact CE2-CB 4.04Å; F655-E705 HydrophobicContact CE2-CG 3.74Å; F655-E705 HydrophobicContact CZ-CG 3.74Å; L670-E705 HydrophobicContact CD1-CB 4.2Å; L670-E705 HydrophobicContact CD2-CB 4.45Å; T701-E705 PolarHBondContact O-N 3.3Å; T701-E705 VanDerWaalsContact O-N 3.17Å; C702-E705 PolarHBondContact O-N 3.02Å; A703-E705 VanDerWaalsContact C-N 3.35Å; E705-R743 IonicContact OE1-NH1 3.84Å; E705-R743 PolarHBondContact OE1-NH1 3.35Å
706	V	90.4	Very high	91.9	Very high	31 Å²	31	39.5 Å²	39.5	19%	0.188	19%	0.193	C	C	.	.	H	α-helix	trans	-72.9	-41.1	175	175	0	0	0	0	111.6	L670 K671 L674 C702 A703 A710	L670-V706 HydrophobicContact CB-CG2 3.76Å; K671-V706 HydrophobicContact CG-CG1 4.14Å; L674-V706 HydrophobicContact CB-CG2 4.23Å; L674-V706 HydrophobicContact CD2-CB 4.46Å; L674-V706 HydrophobicContact CD2-CG1 4.37Å; L674-V706 HydrophobicContact CD2-CG2 4.18Å; C702-V706 WeakPolarHBondContact O-CG2 3.41Å; C702-V706 PolarHBondContact O-N 2.78Å; C702-V706 VanDerWaalsContact O-N 3.1Å; A703-V706 PolarHBondContact O-N 3.28Å; V706-A710 HydrophobicContact CB-CB 3.94Å; V706-A710 HydrophobicContact CG1-CB 3.72Å
707	G	89.6	Confident	91.8	Very high	17 Å²	17	41.6 Å²	41.6	18%	0.175	21%	0.208	C	C	.	.			trans	134.4	179.1	174.5	0	0	0	0	0	115.4	A703 Y709 A710 L711	A703-G707 PolarHBondContact O-N 2.82Å; G707-Y709 PolarHBondContact O-N 2.9Å; G707-A710 WeakPolarHBondContact O-CB 3.45Å; G707-A710 PolarHBondContact O-N 3.46Å; G707-A710 VanDerWaalsContact O-N 3.12Å; G707-L711 PolarHBondContact O-N 3.13Å
708	V	89.8	Confident	91.8	Very high	33 Å²	33	36.6 Å²	36.6	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-55.3	-43.9	-174.2	178.3	0	0	0	0	113.4	A710 L711 D712 L744 L746 L754	V708-A710 VanDerWaalsContact C-N 3.29Å; V708-A710 PolarHBondContact O-N 3.14Å; V708-L711 PolarHBondContact O-N 3.2Å; V708-D712 PolarHBondContact O-N 2.96Å; V708-L744 HydrophobicContact CG2-CD1 4.34Å; V708-L746 HydrophobicContact CG2-CD2 3.27Å; V708-L754 HydrophobicContact CG1-CD1 3.87Å; V708-L754 HydrophobicContact CG1-CD2 4.09Å; V708-L754 HydrophobicContact CG1-CG 3.91Å; V708-L754 HydrophobicContact CG2-CD1 4.38Å
709	Y	89.1	Confident	91.7	Very high	210 Å²	210	40.6 Å²	40.6	82%	0.824	21%	0.208	S	C	*	.	H	α-helix	trans	-63.3	-34.5	-179.4	-67.5	-76.4	0	0	0	112.8	G707 D712 S713	G707-Y709 PolarHBondContact O-N 2.9Å; Y709-D712 PolarHBondContact O-N 3.43Å; Y709-S713 VanDerWaalsContact O-CB 3.29Å; Y709-S713 WeakPolarHBondContact O-CB 3.36Å; Y709-S713 PolarHBondContact O-N 3.38Å
710	A	91.3	Very high	91.5	Very high	13 Å²	13	43.2 Å²	43.2	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-43.5	177	0	0	0	0	0	111	L674 A703 V706 G707 V708 S713 I714	L674-A710 HydrophobicContact CD2-CB 3.69Å; A703-A710 HydrophobicContact CB-CB 4.32Å; V706-A710 HydrophobicContact CB-CB 3.94Å; V706-A710 HydrophobicContact CG1-CB 3.72Å; G707-A710 WeakPolarHBondContact O-CB 3.45Å; G707-A710 PolarHBondContact O-N 3.46Å; G707-A710 VanDerWaalsContact O-N 3.12Å; V708-A710 VanDerWaalsContact C-N 3.29Å; V708-A710 PolarHBondContact O-N 3.14Å; A710-S713 PolarHBondContact O-N 3.24Å; A710-I714 WeakPolarHBondContact O-CG2 3.4Å; A710-I714 PolarHBondContact O-N 3.34Å
711	L	91.8	Very high	91.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-44.6	174.8	-70.8	176.9	0	0	0	111.9	V700 A703 G707 V708 I714 M715 V735 T740 L744 L754	V700-L711 HydrophobicContact CG1-CD2 4.35Å; A703-L711 HydrophobicContact CB-CD2 3.65Å; A703-L711 HydrophobicContact CB-CG 4.31Å; G707-L711 PolarHBondContact O-N 3.13Å; V708-L711 PolarHBondContact O-N 3.2Å; L711-I714 HydrophobicContact CD2-CD1 4.17Å; L711-I714 WeakPolarHBondContact O-CG1 3.47Å; L711-M715 VanDerWaalsContact O-CG 3.29Å; L711-M715 WeakPolarHBondContact O-CG 3.36Å; L711-M715 PolarHBondContact O-N 3.47Å; L711-M715 VanDerWaalsContact O-N 3.16Å; L711-V735 HydrophobicContact CD1-CG2 4.46Å; L711-V735 HydrophobicContact CD2-CG2 4.07Å; L711-T740 HydrophobicContact CD1-CG2 4.15Å; L711-L744 HydrophobicContact CD1-CD1 3.64Å; L711-L754 HydrophobicContact CB-CD2 4.11Å
712	D	90.8	Very high	91.4	Very high	39 Å²	39	41.3 Å²	41.3	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-43.6	177.3	-166.1	53.5	0	0	0	111.7	V708 Y709 I714 M715 Q716 S757	V708-D712 PolarHBondContact O-N 2.96Å; Y709-D712 PolarHBondContact O-N 3.43Å; D712-I714 PolarHBondContact O-N 2.86Å; D712-M715 PolarHBondContact O-N 3.02Å; D712-M715 VanDerWaalsContact O-N 3.16Å; D712-Q716 WeakPolarHBondContact O-CG 3.37Å; D712-Q716 PolarHBondContact O-N 3.22Å; D712-Q716 PolarHBondContact OD2-NE2 3.31Å; D712-S757 VanDerWaalsContact OD1-CB 3.23Å; D712-S757 WeakPolarHBondContact OD1-CB 3.06Å; D712-S757 PolarHBondContact OD1-OG 3.42Å
713	S	92.8	Very high	91.4	Very high	63 Å²	63	43.2 Å²	43.2	44%	0.441	22%	0.224	S	C	.	.	H	α-helix	trans	-60.4	-42.8	178.1	-174	0	0	0	0	113.4	Y709 A710 M715 Q716 S717	Y709-S713 VanDerWaalsContact O-CB 3.29Å; Y709-S713 WeakPolarHBondContact O-CB 3.36Å; Y709-S713 PolarHBondContact O-N 3.38Å; A710-S713 PolarHBondContact O-N 3.24Å; S713-M715 VanDerWaalsContact C-N 3.32Å; S713-Q716 PolarHBondContact O-N 3.39Å; S713-S717 WeakPolarHBondContact O-CB 3.46Å; S713-S717 PolarHBondContact O-N 2.98Å; S713-S717 PolarHBondContact O-OG 2.96Å
714	I	94.1	Very high	91.3	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-69.7	-31.5	177.7	65.2	171.1	0	0	0	112	L678 V700 A703 A710 L711 D712 W718 L721 F722 V731	L678-I714 HydrophobicContact CD2-CG2 3.79Å; V700-I714 HydrophobicContact CG2-CD1 4.5Å; A703-I714 HydrophobicContact CB-CD1 3.93Å; A710-I714 WeakPolarHBondContact O-CG2 3.4Å; A710-I714 PolarHBondContact O-N 3.34Å; L711-I714 HydrophobicContact CD2-CD1 4.17Å; L711-I714 WeakPolarHBondContact O-CG1 3.47Å; D712-I714 PolarHBondContact O-N 2.86Å; I714-W718 PolarHBondContact O-N 2.98Å; I714-L721 HydrophobicContact CB-CD1 4.37Å; I714-L721 HydrophobicContact CG2-CD1 4.48Å; I714-F722 HydrophobicContact CB-CE2 4.4Å; I714-V731 HydrophobicContact CD1-CG1 4.29Å
715	M	92.9	Very high	91.4	Very high	5 Å²	5	46 Å²	46	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-70.6	-40.7	175.1	-71.7	-171.9	-63.5	0	0	111.2	L711 D712 S713 W718 V731 V735 L754 A758 L761	L711-M715 VanDerWaalsContact O-CG 3.29Å; L711-M715 WeakPolarHBondContact O-CG 3.36Å; L711-M715 PolarHBondContact O-N 3.47Å; L711-M715 VanDerWaalsContact O-N 3.16Å; D712-M715 PolarHBondContact O-N 3.02Å; D712-M715 VanDerWaalsContact O-N 3.16Å; S713-M715 VanDerWaalsContact C-N 3.32Å; M715-W718 WeakPolarHBondContact O-CB 3.34Å; M715-V731 HydrophobicContact CG-CG1 4.18Å; M715-V735 HydrophobicContact CE-CG1 4.18Å; M715-V735 HydrophobicContact SD-CB 4.37Å; M715-V735 HydrophobicContact SD-CG1 4.09Å; M715-V735 HydrophobicContact SD-CG2 4.12Å; M715-L754 HydrophobicContact CE-CD2 3.65Å; M715-A758 HydrophobicContact SD-CB 4.04Å; M715-L761 HydrophobicContact CB-CD2 4.15Å; M715-L761 HydrophobicContact CG-CD2 3.9Å; M715-L761 HydrophobicContact SD-CD2 4.49Å
716	Q	91.1	Very high	91.5	Very high	126 Å²	126	43 Å²	43	59%	0.589	23%	0.227	S	C	*	.	H	α-helix	trans	-67.2	-36.2	176.1	-68.3	-177.2	14.9	0	0	112.3	D712 S713 W718	D712-Q716 WeakPolarHBondContact O-CG 3.37Å; D712-Q716 PolarHBondContact O-N 3.22Å; D712-Q716 PolarHBondContact OD2-NE2 3.31Å; S713-Q716 PolarHBondContact O-N 3.39Å; Q716-W718 PolarHBondContact O-N 3.45Å
717	S	91.4	Very high	91.7	Very high	45 Å²	45	41.6 Å²	41.6	32%	0.315	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	13.1	-177.5	-57.5	0	0	0	0	114.4	S713 F719 T720	S713-S717 WeakPolarHBondContact O-CB 3.46Å; S713-S717 PolarHBondContact O-N 2.98Å; S713-S717 PolarHBondContact O-OG 2.96Å; S717-F719 PolarHBondContact O-N 2.67Å; S717-T720 PolarHBondContact O-N 3.44Å; S717-T720 VanDerWaalsContact O-N 3.13Å; S717-T720 PolarHBondContact O-OG1 3.06Å
718	W	92.5	Very high	91.8	Very high	12 Å²	12	40.8 Å²	40.8	5%	0.045	21%	0.21	C	C	.	.	H	α-helix	trans	-53.7	-34.4	-168.8	72.6	-87.5	0	0	0	114.5	I714 M715 Q716 T720 L721 F722 P724 A727 L761 Q764 C765 K768	I714-W718 PolarHBondContact O-N 2.98Å; M715-W718 WeakPolarHBondContact O-CB 3.34Å; Q716-W718 PolarHBondContact O-N 3.45Å; W718-T720 PolarHBondContact O-N 2.68Å; W718-T720 VanDerWaalsContact O-N 3.15Å; W718-L721 PolarHBondContact O-N 3.11Å; W718-F722 HydrophobicContact CB-CD2 4.23Å; W718-F722 PolarHBondContact O-N 3.36Å; W718-P724 HydrophobicContact CZ3-CB 4.41Å; W718-P724 HydrophobicContact CZ3-CG 4.12Å; W718-A727 HydrophobicContact CE3-CB 4.2Å; W718-L761 HydrophobicContact CB-CD1 3.47Å; W718-L761 VanDerWaalsContact CB-CD1 3.47Å; W718-L761 HydrophobicContact CD2-CD1 3.6Å; W718-L761 HydrophobicContact CE3-CD1 4.45Å; W718-L761 HydrophobicContact CG-CD1 3.1Å; W718-Q764 HydrophobicContact CZ2-CB 3.87Å; W718-C765 WeakPolarHBondContact CZ3-SG 3.38Å; W718-K768 HydrophobicContact CH2-CD 3.97Å
719	F	90.8	Very high	91.8	Very high	124 Å²	124	42 Å²	42	54%	0.544	22%	0.22	S	C	.	.	H	α-helix	trans	-63.4	-21	-175.8	62.5	-87.4	0	0	0	113.7	S717	S717-F719 PolarHBondContact O-N 2.67Å
720	T	91.6	Very high	92	Very high	56 Å²	56	32.6 Å²	32.6	34%	0.344	18%	0.184	S	C	.	.	H	α-helix	trans	-98.3	-10.1	175.5	60	0	0	0	0	113.8	S717 W718	S717-T720 PolarHBondContact O-N 3.44Å; S717-T720 VanDerWaalsContact O-N 3.13Å; S717-T720 PolarHBondContact O-OG1 3.06Å; W718-T720 PolarHBondContact O-N 2.68Å; W718-T720 VanDerWaalsContact O-N 3.15Å
721	L	90.7	Very high	92	Very high	4 Å²	4	32 Å²	32	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-115.8	-39.5	-168.5	-60.7	174.2	0	0	0	112.5	L678 M681 R682 R692 I714 W718	L678-L721 HydrophobicContact CB-CD2 4.48Å; L678-L721 HydrophobicContact CD2-CD1 3.66Å; L678-L721 HydrophobicContact CD2-CD2 3.94Å; L678-L721 HydrophobicContact CD2-CG 4.43Å; M681-L721 HydrophobicContact CB-CB 4.4Å; M681-L721 HydrophobicContact CB-CD2 4.22Å; R682-L721 HydrophobicContact CG-CD2 3.84Å; R692-L721 PolarHBondContact NH2-O 3.46Å; I714-L721 HydrophobicContact CB-CD1 4.37Å; I714-L721 HydrophobicContact CG2-CD1 4.48Å; W718-L721 PolarHBondContact O-N 3.11Å
722	F	93.3	Very high	92.1	Very high	4 Å²	4	32 Å²	32	2%	0.018	18%	0.179	C	C	.	.			trans	-129	152.3	-168.4	-52.1	-57.9	0	0	0	111.9	M681 V696 L699 I714 W718 E726 A727 V731	M681-F722 HydrophobicContact CG-CE1 4.03Å; M681-F722 HydrophobicContact SD-CD1 4.49Å; M681-F722 HydrophobicContact SD-CE1 4.11Å; V696-F722 HydrophobicContact CG1-CD1 4Å; V696-F722 HydrophobicContact CG1-CE1 3.89Å; V696-F722 HydrophobicContact CG2-CD1 3.98Å; V696-F722 HydrophobicContact CG2-CE1 4.15Å; L699-F722 HydrophobicContact CD2-CE1 3.96Å; L699-F722 HydrophobicContact CD2-CZ 3.78Å; I714-F722 HydrophobicContact CB-CE2 4.4Å; W718-F722 HydrophobicContact CB-CD2 4.23Å; W718-F722 PolarHBondContact O-N 3.36Å; F722-E726 HydrophobicContact CB-CB 4.2Å; F722-A727 HydrophobicContact CB-CB 4.04Å; F722-V731 HydrophobicContact CD1-CG2 4.45Å; F722-V731 HydrophobicContact CD2-CG2 3.99Å; F722-V731 HydrophobicContact CE1-CG2 4.33Å; F722-V731 HydrophobicContact CE2-CG2 3.86Å; F722-V731 HydrophobicContact CG-CG2 4.29Å; F722-V731 HydrophobicContact CZ-CG2 4.04Å
723	T	91.9	Very high	92.1	Very high	41 Å²	41	33.3 Å²	33.3	25%	0.252	19%	0.188	S	C	.	.			trans	-72.2	155	162.1	60.9	0	0	0	0	109.8	L685 T725 E726 A727	L685-T723 HydrophobicContact CD1-CG2 4.15Å; T723-T725 PolarHBondContact O-N 2.98Å; T723-T725 VanDerWaalsContact O-N 3.14Å; T723-T725 PolarHBondContact OG1-OG1 2.86Å; T723-E726 PolarHBondContact N-OE2 3Å; T723-E726 PolarHBondContact O-N 3.48Å; T723-E726 VanDerWaalsContact O-N 3.08Å; T723-E726 WeakPolarHBondContact OG1-CB 3.46Å; T723-E726 WeakPolarHBondContact OG1-CG 3.35Å; T723-E726 PolarHBondContact OG1-N 2.85Å; T723-E726 PolarHBondContact OG1-OE2 3.49Å; T723-A727 PolarHBondContact O-N 3.24Å
724	P	92.1	Very high	92	Very high	22 Å²	22	32.3 Å²	32.3	14%	0.143	18%	0.18	C	C	.	.	H	α-helix	trans	-53.4	-36.9	179.4	-27.8	35	0	0	0	113.6	W718 T728 C765 K768 D769 C773	W718-P724 HydrophobicContact CZ3-CB 4.41Å; W718-P724 HydrophobicContact CZ3-CG 4.12Å; P724-T728 PolarHBondContact O-N 3.06Å; P724-T728 VanDerWaalsContact O-N 3.1Å; P724-T728 PolarHBondContact O-OG1 3.37Å; P724-C765 HydrophobicContact CB-CB 4.09Å; P724-K768 HydrophobicContact CG-CD 4.13Å; P724-K768 HydrophobicContact CG-CG 4.4Å; P724-D769 HydrophobicContact CB-CB 4.09Å; P724-D769 HydrophobicContact CG-CB 4.29Å; P724-C773 PolarHBondContact O-SG 2.89Å
725	T	91.4	Very high	91.8	Very high	40 Å²	40	32.4 Å²	32.4	25%	0.245	18%	0.181	C	C	.	.	H	α-helix	trans	-71.3	-40.1	178.6	53.4	0	0	0	0	112.5	T723 T728 S729 N772	T723-T725 PolarHBondContact O-N 2.98Å; T723-T725 VanDerWaalsContact O-N 3.14Å; T723-T725 PolarHBondContact OG1-OG1 2.86Å; T725-T728 PolarHBondContact O-OG1 3.47Å; T725-S729 VanDerWaalsContact O-CB 3.27Å; T725-S729 WeakPolarHBondContact O-CB 3.36Å; T725-S729 PolarHBondContact O-N 3.42Å; T725-S729 PolarHBondContact O-OG 3.2Å; T725-N772 HydrophobicContact CG2-CB 3.39Å
726	E	93.1	Very high	91.5	Very high	15 Å²	15	35 Å²	35	7%	0.07	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-44.7	174.6	-72.9	163.5	166.7	0	0	111.5	R692 V696 F722 T723 T728 I730 V731	R692-E726 VanDerWaalsContact CD-OE1 3.31Å; R692-E726 WeakPolarHBondContact CD-OE1 3.39Å; R692-E726 WeakPolarHBondContact CG-OE1 3.37Å; R692-E726 IonicContact CZ-OE1 3.97Å; R692-E726 IonicContact CZ-OE2 3.28Å; R692-E726 IonicContact NE-OE1 3.25Å; R692-E726 PolarHBondContact NE-OE1 2.98Å; R692-E726 IonicContact NE-OE2 2.67Å; R692-E726 PolarHBondContact NE-OE2 3.02Å; R692-E726 VanDerWaalsContact NE-OE2 3.08Å; R692-E726 IonicContact NH2-OE2 2.82Å; R692-E726 PolarHBondContact NH2-OE2 3.14Å; V696-E726 HydrophobicContact CG2-CG 4.45Å; F722-E726 HydrophobicContact CB-CB 4.2Å; T723-E726 PolarHBondContact N-OE2 3Å; T723-E726 PolarHBondContact O-N 3.48Å; T723-E726 VanDerWaalsContact O-N 3.08Å; T723-E726 WeakPolarHBondContact OG1-CB 3.46Å; T723-E726 WeakPolarHBondContact OG1-CG 3.35Å; T723-E726 PolarHBondContact OG1-N 2.85Å; T723-E726 PolarHBondContact OG1-OE2 3.49Å; E726-T728 PolarHBondContact O-N 3.38Å; E726-I730 WeakPolarHBondContact O-CA 3.27Å; E726-I730 VanDerWaalsContact O-CB 3.3Å; E726-I730 WeakPolarHBondContact O-CB 3.48Å; E726-I730 PolarHBondContact O-N 3.25Å; E726-V731 PolarHBondContact O-N 3.02Å
727	A	93.4	Very high	91.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-61.4	-43.4	179.5	0	0	0	0	0	112.2	W718 F722 T723 V731 A732 L761	W718-A727 HydrophobicContact CE3-CB 4.2Å; F722-A727 HydrophobicContact CB-CB 4.04Å; T723-A727 PolarHBondContact O-N 3.24Å; A727-V731 WeakPolarHBondContact O-CB 3.29Å; A727-V731 PolarHBondContact O-N 3.1Å; A727-A732 PolarHBondContact O-N 3.41Å; A727-L761 HydrophobicContact CB-CD1 4.15Å; A727-L761 HydrophobicContact CB-CD2 4.39Å; A727-L761 HydrophobicContact CB-CG 4.47Å
728	T	92.6	Very high	91.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.194	C	C	.	.	I	π-helix	trans	-76.6	-54.5	179.5	45.6	0	0	0	0	113	P724 T725 E726 T733 A762 C765 C773	P724-T728 PolarHBondContact O-N 3.06Å; P724-T728 VanDerWaalsContact O-N 3.1Å; P724-T728 PolarHBondContact O-OG1 3.37Å; T725-T728 PolarHBondContact O-OG1 3.47Å; E726-T728 PolarHBondContact O-N 3.38Å; T728-T733 PolarHBondContact O-OG1 3.12Å; T728-A762 HydrophobicContact CG2-CB 4.24Å; T728-C765 HydrophobicContact CG2-CB 3.28Å; T728-C773 HydrophobicContact CG2-CB 4.13Å
729	S	90.1	Very high	91	Very high	59 Å²	59	36.8 Å²	36.8	41%	0.413	21%	0.212	S	C	.	.	I	π-helix	trans	-76.7	-29.7	-170.2	67.8	0	0	0	0	113.6	T725 T733	T725-S729 VanDerWaalsContact O-CB 3.27Å; T725-S729 WeakPolarHBondContact O-CB 3.36Å; T725-S729 PolarHBondContact O-N 3.42Å; T725-S729 PolarHBondContact O-OG 3.2Å; S729-T733 VanDerWaalsContact O-CB 3.31Å; S729-T733 WeakPolarHBondContact O-CB 2.93Å; S729-T733 PolarHBondContact O-OG1 3.01Å
730	I	91.8	Very high	90.8	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.062	19%	0.186	C	C	.	.	I	π-helix	trans	-105.4	-60.6	-177.1	-54	175.7	0	0	0	110.5	R693 V696 R697 E726 T734	R693-I730 HydrophobicContact CB-CD1 4.32Å; R693-I730 HydrophobicContact CG-CD1 4.39Å; V696-I730 HydrophobicContact CB-CD1 4.47Å; V696-I730 HydrophobicContact CG1-CB 4.22Å; V696-I730 HydrophobicContact CG1-CD1 4.25Å; V696-I730 HydrophobicContact CG1-CG2 3.95Å; R697-I730 HydrophobicContact CB-CG2 4.49Å; R697-I730 HydrophobicContact CG-CD1 4.5Å; R697-I730 HydrophobicContact CG-CG2 3.57Å; E726-I730 WeakPolarHBondContact O-CA 3.27Å; E726-I730 VanDerWaalsContact O-CB 3.3Å; E726-I730 WeakPolarHBondContact O-CB 3.48Å; E726-I730 PolarHBondContact O-N 3.25Å; I730-T734 WeakPolarHBondContact O-CB 3.38Å; I730-T734 PolarHBondContact O-N 2.82Å; I730-T734 PolarHBondContact O-OG1 3.36Å
731	V	92.8	Very high	90.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-67	-59.5	-170.1	-176	0	0	0	0	110.9	V696 V700 I714 M715 F722 E726 A727 T733 T734 V735	V696-V731 HydrophobicContact CG1-CG2 4.05Å; V700-V731 HydrophobicContact CG2-CB 4.25Å; V700-V731 HydrophobicContact CG2-CG1 4.17Å; V700-V731 HydrophobicContact CG2-CG2 3.82Å; I714-V731 HydrophobicContact CD1-CG1 4.29Å; M715-V731 HydrophobicContact CG-CG1 4.18Å; F722-V731 HydrophobicContact CD1-CG2 4.45Å; F722-V731 HydrophobicContact CD2-CG2 3.99Å; F722-V731 HydrophobicContact CE1-CG2 4.33Å; F722-V731 HydrophobicContact CE2-CG2 3.86Å; F722-V731 HydrophobicContact CG-CG2 4.29Å; F722-V731 HydrophobicContact CZ-CG2 4.04Å; E726-V731 PolarHBondContact O-N 3.02Å; A727-V731 WeakPolarHBondContact O-CB 3.29Å; A727-V731 PolarHBondContact O-N 3.1Å; V731-T733 PolarHBondContact O-N 3.31Å; V731-T734 PolarHBondContact O-N 2.91Å; V731-V735 WeakPolarHBondContact O-CG2 3.43Å; V731-V735 PolarHBondContact O-N 3.23Å
732	A	92.6	Very high	90.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-61.6	-44.5	-177.7	0	0	0	0	0	112.4	A727 T734 V735 M736 A758 L761 L780	A727-A732 PolarHBondContact O-N 3.41Å; A732-T734 VanDerWaalsContact C-N 3.33Å; A732-T734 PolarHBondContact O-N 3.37Å; A732-V735 PolarHBondContact O-N 2.89Å; A732-M736 WeakPolarHBondContact O-CB 3.48Å; A732-M736 WeakPolarHBondContact O-CG 3.29Å; A732-M736 PolarHBondContact O-N 2.91Å; A732-A758 HydrophobicContact CB-CB 4.28Å; A732-L761 HydrophobicContact CB-CD2 4.28Å; A732-L780 HydrophobicContact CB-CD1 3.62Å
733	T	91.8	Very high	89.7	Confident	66 Å²	66	39.6 Å²	39.6	41%	0.405	23%	0.225	S	C	.	.	H	α-helix	trans	-58.9	-41.9	176.3	-49.9	0	0	0	0	112.6	T728 S729 V731 S737	T728-T733 PolarHBondContact O-OG1 3.12Å; S729-T733 VanDerWaalsContact O-CB 3.31Å; S729-T733 WeakPolarHBondContact O-CB 2.93Å; S729-T733 PolarHBondContact O-OG1 3.01Å; V731-T733 PolarHBondContact O-N 3.31Å; T733-S737 PolarHBondContact O-N 3.21Å
734	T	90.3	Very high	89.3	Confident	43 Å²	43	39.3 Å²	39.3	26%	0.264	22%	0.222	S	C	.	.	H	α-helix	trans	-71	-43.1	-178.9	-56.2	0	0	0	0	111	V700 I730 V731 A732 M736 S737 T740	V700-T734 HydrophobicContact CG1-CG2 3.7Å; I730-T734 WeakPolarHBondContact O-CB 3.38Å; I730-T734 PolarHBondContact O-N 2.82Å; I730-T734 PolarHBondContact O-OG1 3.36Å; V731-T734 PolarHBondContact O-N 2.91Å; A732-T734 VanDerWaalsContact C-N 3.33Å; A732-T734 PolarHBondContact O-N 3.37Å; T734-M736 VanDerWaalsContact C-N 3.29Å; T734-M736 PolarHBondContact O-N 3.02Å; T734-S737 WeakPolarHBondContact O-CB 3.38Å; T734-S737 PolarHBondContact O-N 3.5Å; T734-S737 VanDerWaalsContact O-N 3.11Å; T734-S737 PolarHBondContact O-OG 3.42Å; T734-T740 PolarHBondContact O-OG1 3.42Å
735	V	89.6	Confident	88.9	Confident	6 Å²	6	46 Å²	46	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-59.5	-40.7	176.9	172.3	0	0	0	0	111.1	L711 M715 V731 A732 S737 L754	L711-V735 HydrophobicContact CD1-CG2 4.46Å; L711-V735 HydrophobicContact CD2-CG2 4.07Å; M715-V735 HydrophobicContact CE-CG1 4.18Å; M715-V735 HydrophobicContact SD-CB 4.37Å; M715-V735 HydrophobicContact SD-CG1 4.09Å; M715-V735 HydrophobicContact SD-CG2 4.12Å; V731-V735 WeakPolarHBondContact O-CG2 3.43Å; V731-V735 PolarHBondContact O-N 3.23Å; A732-V735 PolarHBondContact O-N 2.89Å; V735-S737 VanDerWaalsContact C-N 3.27Å; V735-S737 PolarHBondContact O-N 2.99Å; V735-L754 HydrophobicContact CG1-CB 4.22Å; V735-L754 HydrophobicContact CG1-CD2 4.21Å
736	M	87.9	Confident	88.5	Confident	59 Å²	59	45 Å²	45	29%	0.291	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.9	178.9	-66.7	-173	76.1	0	0	114.5	A732 T734 A755 A758 L780	A732-M736 WeakPolarHBondContact O-CB 3.48Å; A732-M736 WeakPolarHBondContact O-CG 3.29Å; A732-M736 PolarHBondContact O-N 2.91Å; T734-M736 VanDerWaalsContact C-N 3.29Å; T734-M736 PolarHBondContact O-N 3.02Å; M736-A755 HydrophobicContact CE-CB 4.43Å; M736-A758 HydrophobicContact CG-CB 3.77Å; M736-A758 HydrophobicContact SD-CB 3.92Å; M736-L780 HydrophobicContact CB-CD2 4.48Å; M736-L780 WeakPolarHBondContact CE-O 3.4Å; M736-L780 HydrophobicContact CG-CD2 4.42Å; M736-L780 HydrophobicContact SD-CB 3.92Å; M736-L780 HydrophobicContact SD-CD2 3.47Å; M736-L780 WeakPolarHBondContact SD-CD2 3.39Å; M736-L780 HydrophobicContact SD-CG 4.24Å
737	S	89.9	Confident	88.2	Confident	32 Å²	32	49.5 Å²	49.5	22%	0.224	27%	0.269	C	S	.	.	S	Bend	trans	-77.3	147.7	-177.4	80.5	0	0	0	0	112.9	T733 T734 V735 S739 T740 I741	T733-S737 PolarHBondContact O-N 3.21Å; T734-S737 WeakPolarHBondContact O-CB 3.38Å; T734-S737 PolarHBondContact O-N 3.5Å; T734-S737 VanDerWaalsContact O-N 3.11Å; T734-S737 PolarHBondContact O-OG 3.42Å; V735-S737 VanDerWaalsContact C-N 3.27Å; V735-S737 PolarHBondContact O-N 2.99Å; S737-S739 PolarHBondContact O-N 3.11Å; S737-S739 VanDerWaalsContact O-N 3.14Å; S737-S739 PolarHBondContact OG-OG 2.77Å; S737-T740 PolarHBondContact O-N 3.08Å; S737-T740 VanDerWaalsContact O-N 3.09Å; S737-T740 PolarHBondContact OG-N 3.4Å; S737-T740 PolarHBondContact OG-OG1 2.58Å; S737-I741 PolarHBondContact O-N 3.5Å
738	N	86.1	Confident	87.8	Confident	128 Å²	128	54.5 Å²	54.5	68%	0.684	30%	0.303	S	S	*	.	H	α-helix	trans	-58.3	-28.4	174.3	-70.5	-17.2	0	0	0	112.7	T740 I741 V742	N738-T740 VanDerWaalsContact C-N 3.3Å; N738-T740 PolarHBondContact O-N 2.97Å; N738-I741 PolarHBondContact O-N 2.82Å; N738-V742 WeakPolarHBondContact O-CG2 3.42Å; N738-V742 PolarHBondContact O-N 2.98Å; N738-V742 VanDerWaalsContact O-N 3.14Å
739	S	87.1	Confident	87.6	Confident	61 Å²	61	60.8 Å²	60.8	43%	0.427	33%	0.332	S	S	.	.	H	α-helix	trans	-65.3	-32.7	178.5	76.6	0	0	0	0	113.3	S737 R743	S737-S739 PolarHBondContact O-N 3.11Å; S737-S739 VanDerWaalsContact O-N 3.14Å; S737-S739 PolarHBondContact OG-OG 2.77Å; S739-R743 WeakPolarHBondContact O-CB 3.25Å; S739-R743 PolarHBondContact O-N 3.39Å
740	T	86.2	Confident	87.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-76.3	-39.2	178.7	-58.1	0	0	0	0	110.7	T704 L711 T734 S737 N738 V742 R743 L744	T704-T740 HydrophobicContact CG2-CG2 4.13Å; L711-T740 HydrophobicContact CD1-CG2 4.15Å; T734-T740 PolarHBondContact O-OG1 3.42Å; S737-T740 PolarHBondContact O-N 3.08Å; S737-T740 VanDerWaalsContact O-N 3.09Å; S737-T740 PolarHBondContact OG-N 3.4Å; S737-T740 PolarHBondContact OG-OG1 2.58Å; N738-T740 VanDerWaalsContact C-N 3.3Å; N738-T740 PolarHBondContact O-N 2.97Å; T740-V742 PolarHBondContact O-N 3.45Å; T740-R743 PolarHBondContact O-N 2.88Å; T740-L744 HydrophobicContact CG2-CD1 3.84Å; T740-L744 WeakPolarHBondContact O-CB 3.43Å; T740-L744 PolarHBondContact O-N 3.42Å
741	I	84.8	Confident	87.2	Confident	32 Å²	32	64.6 Å²	64.6	16%	0.164	34%	0.343	C	S	.	.	H	α-helix	trans	-60	-47.5	176.5	-61.4	168.4	0	0	0	110.7	S737 N738 H745 L746 Q751	S737-I741 PolarHBondContact O-N 3.5Å; N738-I741 PolarHBondContact O-N 2.82Å; I741-H745 PolarHBondContact O-N 3.39Å; I741-H745 VanDerWaalsContact O-N 3.14Å; I741-L746 HydrophobicContact CG1-CD1 4.35Å; I741-L746 PolarHBondContact O-N 3.35Å; I741-Q751 HydrophobicContact CD1-CG 4.19Å; I741-Q751 VanDerWaalsContact CD1-NE2 3.26Å; I741-Q751 HydrophobicContact CG1-CG 4.41Å
742	V	85.3	Confident	87	Confident	104 Å²	104	69.4 Å²	69.4	63%	0.63	37%	0.365	S	S	*	.	H	α-helix	trans	-66.1	-42.2	179.9	174.3	0	0	0	0	111.3	N738 T740	N738-V742 WeakPolarHBondContact O-CG2 3.42Å; N738-V742 PolarHBondContact O-N 2.98Å; N738-V742 VanDerWaalsContact O-N 3.14Å; T740-V742 PolarHBondContact O-N 3.45Å
743	R	83.8	Confident	86.8	Confident	111 Å²	111	73.2 Å²	73.2	42%	0.419	39%	0.385	S	S	.	.	H	α-helix	trans	-67.2	-37.4	-179.3	-91.9	-168.7	-83.8	168.2	-8.8	113.9	T704 E705 S739 T740	T704-R743 HydrophobicContact CG2-CB 4.41Å; E705-R743 IonicContact OE1-NH1 3.84Å; E705-R743 PolarHBondContact OE1-NH1 3.35Å; S739-R743 WeakPolarHBondContact O-CB 3.25Å; S739-R743 PolarHBondContact O-N 3.39Å; T740-R743 PolarHBondContact O-N 2.88Å
744	L	82.3	Confident	86.7	Confident	35 Å²	35	70.3 Å²	70.3	18%	0.183	37%	0.367	C	S	.	.	H	α-helix	trans	-89	-5.2	-178.5	-78.7	170.5	0	0	0	114	T704 V708 L711 T740 L746	T704-L744 HydrophobicContact CG2-CD1 4.08Å; T704-L744 HydrophobicContact CG2-CD2 4.47Å; T704-L744 HydrophobicContact CG2-CG 3.94Å; T704-L744 WeakPolarHBondContact O-CD2 3.16Å; V708-L744 HydrophobicContact CG2-CD1 4.34Å; L711-L744 HydrophobicContact CD1-CD1 3.64Å; T740-L744 HydrophobicContact CG2-CD1 3.84Å; T740-L744 WeakPolarHBondContact O-CB 3.43Å; T740-L744 PolarHBondContact O-N 3.42Å; L744-L746 VanDerWaalsContact C-N 3.27Å; L744-L746 HydrophobicContact CB-CD1 4.39Å; L744-L746 HydrophobicContact CB-CD2 3.56Å; L744-L746 HydrophobicContact CB-CG 3.67Å; L744-L746 HydrophobicContact CD1-CD1 4.48Å; L744-L746 HydrophobicContact CD1-CD2 4.14Å; L744-L746 HydrophobicContact CG-CD2 4.45Å; L744-L746 PolarHBondContact O-N 2.87Å
745	H	83.6	Confident	86.7	Confident	162 Å²	162	69 Å²	69	75%	0.75	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	48.4	-173.4	-64.4	-71.5	0	0	0	112.6	I741	I741-H745 PolarHBondContact O-N 3.39Å; I741-H745 VanDerWaalsContact O-N 3.14Å
746	L	84.7	Confident	86.8	Confident	20 Å²	20	71.3 Å²	71.3	11%	0.105	38%	0.377	C	S	.	.			trans	-69.3	135.8	-173.3	-60.4	177.3	0	0	0	112.5	V708 I741 L744 Q750 Q751 L754	V708-L746 HydrophobicContact CG2-CD2 3.27Å; I741-L746 HydrophobicContact CG1-CD1 4.35Å; I741-L746 PolarHBondContact O-N 3.35Å; L744-L746 VanDerWaalsContact C-N 3.27Å; L744-L746 HydrophobicContact CB-CD1 4.39Å; L744-L746 HydrophobicContact CB-CD2 3.56Å; L744-L746 HydrophobicContact CB-CG 3.67Å; L744-L746 HydrophobicContact CD1-CD1 4.48Å; L744-L746 HydrophobicContact CD1-CD2 4.14Å; L744-L746 HydrophobicContact CG-CD2 4.45Å; L744-L746 PolarHBondContact O-N 2.87Å; L746-Q750 HydrophobicContact CD2-CB 4.27Å; L746-Q751 HydrophobicContact CB-CB 4.48Å; L746-L754 HydrophobicContact CD1-CD1 3.71Å; L746-L754 HydrophobicContact CD2-CD1 4.28Å
747	D	86.4	Confident	87	Confident	109 Å²	109	70 Å²	70	58%	0.583	37%	0.374	S	S	*	.			trans	-71.5	156	164.4	-67.6	-38.8	0	0	0	111.1	H749 Q750 Q751	D747-H749 PolarHBondContact O-N 3.25Å; D747-H749 VanDerWaalsContact O-N 3.11Å; D747-Q750 HydrophobicContact CB-CG 4.5Å; D747-Q750 PolarHBondContact O-N 2.82Å; D747-Q751 PolarHBondContact O-N 3.17Å
748	C	84.9	Confident	87.2	Confident	105 Å²	105	68.5 Å²	68.5	71%	0.709	36%	0.364	S	S	*	.	H	α-helix	trans	-53.5	-36.7	179.6	-177.6	0	0	0	0	112.8	E752	C748-E752 PolarHBondContact O-N 3.1Å; C748-E752 VanDerWaalsContact O-N 3.12Å
749	H	87.1	Confident	87.6	Confident	133 Å²	133	63.4 Å²	63.4	62%	0.616	34%	0.335	S	S	*	.	H	α-helix	trans	-68.7	-43.5	177	-174.6	62.2	0	0	0	112.9	D747 Q751 E752 N753	D747-H749 PolarHBondContact O-N 3.25Å; D747-H749 VanDerWaalsContact O-N 3.11Å; H749-Q751 VanDerWaalsContact C-N 3.32Å; H749-E752 PolarHBondContact O-N 2.94Å; H749-N753 PolarHBondContact NE2-ND2 2.84Å; H749-N753 VanDerWaalsContact NE2-ND2 3.14Å; H749-N753 VanDerWaalsContact O-CG 3.29Å; H749-N753 PolarHBondContact O-N 3.26Å; H749-N753 VanDerWaalsContact O-N 3.09Å; H749-N753 PolarHBondContact O-ND2 3.19Å
750	Q	86.1	Confident	87.9	Confident	74 Å²	74	63.7 Å²	63.7	35%	0.346	33%	0.334	S	S	.	.	H	α-helix	trans	-67.5	-36.7	178.4	-66.9	178.5	-16.6	0	0	111.6	L746 D747 N753 L754	L746-Q750 HydrophobicContact CD2-CB 4.27Å; D747-Q750 HydrophobicContact CB-CG 4.5Å; D747-Q750 PolarHBondContact O-N 2.82Å; Q750-N753 PolarHBondContact O-N 3.09Å; Q750-L754 PolarHBondContact O-N 2.97Å
751	Q	87.9	Confident	88.3	Confident	77 Å²	77	63.9 Å²	63.9	36%	0.36	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-46	174.3	-175.6	-174.8	-6.8	0	0	111.7	I741 L746 D747 H749 L754 A755	I741-Q751 HydrophobicContact CD1-CG 4.19Å; I741-Q751 VanDerWaalsContact CD1-NE2 3.26Å; I741-Q751 HydrophobicContact CG1-CG 4.41Å; L746-Q751 HydrophobicContact CB-CB 4.48Å; D747-Q751 PolarHBondContact O-N 3.17Å; H749-Q751 VanDerWaalsContact C-N 3.32Å; Q751-L754 PolarHBondContact O-N 2.96Å; Q751-A755 WeakPolarHBondContact O-CB 3.31Å; Q751-A755 PolarHBondContact O-N 3.27Å
752	E	88.6	Confident	88.7	Confident	100 Å²	100	62.3 Å²	62.3	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-38.2	179.7	-168.7	59.5	-147	0	0	111.8	C748 H749 A755 S756 R759	C748-E752 PolarHBondContact O-N 3.1Å; C748-E752 VanDerWaalsContact O-N 3.12Å; H749-E752 PolarHBondContact O-N 2.94Å; E752-A755 PolarHBondContact O-N 3.39Å; E752-S756 WeakPolarHBondContact O-CB 3.15Å; E752-S756 PolarHBondContact O-N 3.11Å; E752-R759 IonicContact OE1-CZ 2.91Å; E752-R759 IonicContact OE1-NH1 4Å; E752-R759 IonicContact OE1-NH2 2.62Å; E752-R759 PolarHBondContact OE1-NH2 3.07Å
753	N	89.3	Confident	89.2	Confident	80 Å²	80	58.6 Å²	58.6	43%	0.428	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-46.7	175.8	-68.8	-17.8	0	0	0	111.6	H749 Q750 A755 S756 S757	H749-N753 PolarHBondContact NE2-ND2 2.84Å; H749-N753 VanDerWaalsContact NE2-ND2 3.14Å; H749-N753 VanDerWaalsContact O-CG 3.29Å; H749-N753 PolarHBondContact O-N 3.26Å; H749-N753 VanDerWaalsContact O-N 3.09Å; H749-N753 PolarHBondContact O-ND2 3.19Å; Q750-N753 PolarHBondContact O-N 3.09Å; N753-A755 PolarHBondContact O-N 3.2Å; N753-S756 WeakPolarHBondContact O-CB 3.41Å; N753-S756 PolarHBondContact O-N 2.91Å; N753-S757 PolarHBondContact O-N 3.26Å; N753-S757 PolarHBondContact O-OG 3.44Å
754	L	89.7	Confident	89.7	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-40.8	175.5	-82	172.6	0	0	0	112.2	V708 L711 M715 V735 L746 Q750 Q751 S756 S757 A758	V708-L754 HydrophobicContact CG1-CD1 3.87Å; V708-L754 HydrophobicContact CG1-CD2 4.09Å; V708-L754 HydrophobicContact CG1-CG 3.91Å; V708-L754 HydrophobicContact CG2-CD1 4.38Å; L711-L754 HydrophobicContact CB-CD2 4.11Å; M715-L754 HydrophobicContact CE-CD2 3.65Å; V735-L754 HydrophobicContact CG1-CB 4.22Å; V735-L754 HydrophobicContact CG1-CD2 4.21Å; L746-L754 HydrophobicContact CD1-CD1 3.71Å; L746-L754 HydrophobicContact CD2-CD1 4.28Å; Q750-L754 PolarHBondContact O-N 2.97Å; Q751-L754 PolarHBondContact O-N 2.96Å; L754-S756 VanDerWaalsContact C-N 3.31Å; L754-S756 PolarHBondContact O-N 2.98Å; L754-S757 PolarHBondContact O-N 3.38Å; L754-A758 WeakPolarHBondContact O-CB 3.36Å; L754-A758 PolarHBondContact O-N 2.97Å
755	A	90.6	Very high	90.2	Very high	15 Å²	15	56 Å²	56	12%	0.124	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-39.1	176	0	0	0	0	0	111.5	M736 Q751 E752 N753 A758 R759	M736-A755 HydrophobicContact CE-CB 4.43Å; Q751-A755 WeakPolarHBondContact O-CB 3.31Å; Q751-A755 PolarHBondContact O-N 3.27Å; E752-A755 PolarHBondContact O-N 3.39Å; N753-A755 PolarHBondContact O-N 3.2Å; A755-A758 PolarHBondContact O-N 3.4Å; A755-R759 WeakPolarHBondContact O-CB 3.49Å; A755-R759 VanDerWaalsContact O-CG 3.31Å; A755-R759 WeakPolarHBondContact O-CG 3.44Å; A755-R759 PolarHBondContact O-N 3.33Å
756	S	91.4	Very high	90.6	Very high	55 Å²	55	48.3 Å²	48.3	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-59.1	-52.2	172.9	-168.8	0	0	0	0	111.6	E752 N753 L754 A758 R759 T760	E752-S756 WeakPolarHBondContact O-CB 3.15Å; E752-S756 PolarHBondContact O-N 3.11Å; N753-S756 WeakPolarHBondContact O-CB 3.41Å; N753-S756 PolarHBondContact O-N 2.91Å; L754-S756 VanDerWaalsContact C-N 3.31Å; L754-S756 PolarHBondContact O-N 2.98Å; S756-A758 VanDerWaalsContact C-N 3.33Å; S756-A758 PolarHBondContact O-N 3.48Å; S756-R759 PolarHBondContact O-N 3.22Å; S756-T760 PolarHBondContact O-N 2.99Å; S756-T760 PolarHBondContact O-OG1 3.46Å
757	S	92.1	Very high	90.9	Very high	32 Å²	32	53.7 Å²	53.7	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-41.3	176.9	-64	0	0	0	0	112.7	D712 N753 L754 T760 L761	D712-S757 VanDerWaalsContact OD1-CB 3.23Å; D712-S757 WeakPolarHBondContact OD1-CB 3.06Å; D712-S757 PolarHBondContact OD1-OG 3.42Å; N753-S757 PolarHBondContact O-N 3.26Å; N753-S757 PolarHBondContact O-OG 3.44Å; L754-S757 PolarHBondContact O-N 3.38Å; S757-T760 PolarHBondContact O-N 3.39Å; S757-L761 WeakPolarHBondContact O-CB 3.49Å; S757-L761 PolarHBondContact O-N 3.29Å
758	A	93.5	Very high	91.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-39.1	177	0	0	0	0	0	112.6	M715 A732 M736 L754 A755 S756 A762	M715-A758 HydrophobicContact SD-CB 4.04Å; A732-A758 HydrophobicContact CB-CB 4.28Å; M736-A758 HydrophobicContact CG-CB 3.77Å; M736-A758 HydrophobicContact SD-CB 3.92Å; L754-A758 WeakPolarHBondContact O-CB 3.36Å; L754-A758 PolarHBondContact O-N 2.97Å; A755-A758 PolarHBondContact O-N 3.4Å; S756-A758 VanDerWaalsContact C-N 3.33Å; S756-A758 PolarHBondContact O-N 3.48Å; A758-A762 WeakPolarHBondContact O-CB 3.43Å; A758-A762 PolarHBondContact O-N 3.12Å
759	R	94	Very high	91.4	Very high	20 Å²	20	52.1 Å²	52.1	8%	0.075	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-47.4	173.7	-73.4	-178	-64.4	-136	-1	111.1	E752 A755 S756 L761 A762 L763 D784 A787	E752-R759 IonicContact OE1-CZ 2.91Å; E752-R759 IonicContact OE1-NH1 4Å; E752-R759 IonicContact OE1-NH2 2.62Å; E752-R759 PolarHBondContact OE1-NH2 3.07Å; A755-R759 WeakPolarHBondContact O-CB 3.49Å; A755-R759 VanDerWaalsContact O-CG 3.31Å; A755-R759 WeakPolarHBondContact O-CG 3.44Å; A755-R759 PolarHBondContact O-N 3.33Å; S756-R759 PolarHBondContact O-N 3.22Å; R759-L761 VanDerWaalsContact C-N 3.34Å; R759-L761 PolarHBondContact O-N 2.93Å; R759-A762 PolarHBondContact O-N 2.99Å; R759-A762 VanDerWaalsContact O-N 3.14Å; R759-L763 WeakPolarHBondContact O-CG 3.46Å; R759-L763 PolarHBondContact O-N 3.24Å; R759-D784 IonicContact CZ-OD2 3.67Å; R759-D784 IonicContact NE-OD2 3.98Å; R759-D784 VanDerWaalsContact NH1-CB 3.32Å; R759-A787 HydrophobicContact CB-CB 4.46Å
760	T	93.4	Very high	91.5	Very high	67 Å²	67	47.1 Å²	47.1	41%	0.411	24%	0.243	S	C	.	.	H	α-helix	trans	-58.7	-45.9	176.8	-56.8	0	0	0	0	111.5	S756 S757 A762 L763 Q764	S756-T760 PolarHBondContact O-N 2.99Å; S756-T760 PolarHBondContact O-OG1 3.46Å; S757-T760 PolarHBondContact O-N 3.39Å; T760-A762 VanDerWaalsContact C-N 3.32Å; T760-A762 PolarHBondContact O-N 3.11Å; T760-L763 PolarHBondContact O-N 3.21Å; T760-Q764 WeakPolarHBondContact O-CG 3.45Å; T760-Q764 PolarHBondContact O-N 3.01Å
761	L	94.3	Very high	91.7	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-55.2	-47.7	173.8	172.6	63.6	0	0	0	111.4	M715 W718 A727 A732 S757 R759 L763 Q764 C765	M715-L761 HydrophobicContact CB-CD2 4.15Å; M715-L761 HydrophobicContact CG-CD2 3.9Å; M715-L761 HydrophobicContact SD-CD2 4.49Å; W718-L761 HydrophobicContact CB-CD1 3.47Å; W718-L761 VanDerWaalsContact CB-CD1 3.47Å; W718-L761 HydrophobicContact CD2-CD1 3.6Å; W718-L761 HydrophobicContact CE3-CD1 4.45Å; W718-L761 HydrophobicContact CG-CD1 3.1Å; A727-L761 HydrophobicContact CB-CD1 4.15Å; A727-L761 HydrophobicContact CB-CD2 4.39Å; A727-L761 HydrophobicContact CB-CG 4.47Å; A732-L761 HydrophobicContact CB-CD2 4.28Å; S757-L761 WeakPolarHBondContact O-CB 3.49Å; S757-L761 PolarHBondContact O-N 3.29Å; R759-L761 VanDerWaalsContact C-N 3.34Å; R759-L761 PolarHBondContact O-N 2.93Å; L761-L763 PolarHBondContact O-N 3.31Å; L761-Q764 PolarHBondContact O-N 3.24Å; L761-C765 WeakPolarHBondContact O-CB 3.5Å; L761-C765 PolarHBondContact O-N 3.04Å; L761-C765 PolarHBondContact O-SG 2.9Å; L761-C765 VanDerWaalsContact O-SG 3.35Å
762	A	94.6	Very high	91.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-39.7	-177.3	0	0	0	0	0	112.9	T728 A758 R759 T760 C765 A766 A777 L780	T728-A762 HydrophobicContact CG2-CB 4.24Å; A758-A762 WeakPolarHBondContact O-CB 3.43Å; A758-A762 PolarHBondContact O-N 3.12Å; R759-A762 PolarHBondContact O-N 2.99Å; R759-A762 VanDerWaalsContact O-N 3.14Å; T760-A762 VanDerWaalsContact C-N 3.32Å; T760-A762 PolarHBondContact O-N 3.11Å; A762-C765 PolarHBondContact O-N 3.41Å; A762-A766 WeakPolarHBondContact O-CB 3.45Å; A762-A766 PolarHBondContact O-N 3.23Å; A762-A777 HydrophobicContact CB-CB 4.07Å; A762-L780 HydrophobicContact CB-CD1 3.82Å
763	L	94.1	Very high	92.1	Very high	26 Å²	26	42 Å²	42	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-46.2	173.9	-67.8	174	0	0	0	111.6	R759 T760 L761 C765 A766 M767 A787 T790 A791 I794	R759-L763 WeakPolarHBondContact O-CG 3.46Å; R759-L763 PolarHBondContact O-N 3.24Å; T760-L763 PolarHBondContact O-N 3.21Å; L761-L763 PolarHBondContact O-N 3.31Å; L763-C765 VanDerWaalsContact C-N 3.32Å; L763-C765 PolarHBondContact O-N 3.24Å; L763-A766 PolarHBondContact O-N 3.36Å; L763-M767 WeakPolarHBondContact O-CG 3.49Å; L763-M767 PolarHBondContact O-N 2.94Å; L763-A787 HydrophobicContact CD1-CB 4.28Å; L763-T790 HydrophobicContact CD1-CG2 4.26Å; L763-T790 HydrophobicContact CD2-CG2 4.22Å; L763-A791 HydrophobicContact CD2-CB 3.6Å; L763-I794 HydrophobicContact CB-CD1 4.46Å; L763-I794 HydrophobicContact CD2-CD1 4.02Å
764	Q	94.3	Very high	92.2	Very high	90 Å²	90	38.3 Å²	38.3	42%	0.421	20%	0.203	S	C	.	.	H	α-helix	trans	-62.1	-39.7	177.9	-70.3	178.1	1.1	0	0	112.3	W718 T760 L761 M767 K768	W718-Q764 HydrophobicContact CZ2-CB 3.87Å; T760-Q764 WeakPolarHBondContact O-CG 3.45Å; T760-Q764 PolarHBondContact O-N 3.01Å; L761-Q764 PolarHBondContact O-N 3.24Å; Q764-M767 PolarHBondContact O-N 2.97Å; Q764-K768 PolarHBondContact O-N 3.37Å
765	C	93.6	Very high	92.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-41.5	174.7	-73.5	0	0	0	0	112.1	W718 P724 T728 L761 A762 L763 M767 K768 D769 C773	W718-C765 WeakPolarHBondContact CZ3-SG 3.38Å; P724-C765 HydrophobicContact CB-CB 4.09Å; T728-C765 HydrophobicContact CG2-CB 3.28Å; L761-C765 WeakPolarHBondContact O-CB 3.5Å; L761-C765 PolarHBondContact O-N 3.04Å; L761-C765 PolarHBondContact O-SG 2.9Å; L761-C765 VanDerWaalsContact O-SG 3.35Å; A762-C765 PolarHBondContact O-N 3.41Å; L763-C765 VanDerWaalsContact C-N 3.32Å; L763-C765 PolarHBondContact O-N 3.24Å; C765-M767 VanDerWaalsContact C-N 3.31Å; C765-M767 PolarHBondContact O-N 3.48Å; C765-K768 PolarHBondContact O-N 3.44Å; C765-D769 PolarHBondContact O-N 3.43Å; C765-C773 HydrophobicContact CB-CB 4.36Å
766	A	92.7	Very high	92.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-33.4	175.3	0	0	0	0	0	112.7	A762 L763 K768 P770 C773 A777 I794	A762-A766 WeakPolarHBondContact O-CB 3.45Å; A762-A766 PolarHBondContact O-N 3.23Å; L763-A766 PolarHBondContact O-N 3.36Å; A766-K768 VanDerWaalsContact C-N 3.34Å; A766-P770 WeakPolarHBondContact O-CA 3.32Å; A766-P770 WeakPolarHBondContact O-CB 3.48Å; A766-P770 VanDerWaalsContact O-CD 3.32Å; A766-P770 WeakPolarHBondContact O-CD 3.44Å; A766-P770 WeakPolarHBondContact O-CG 3.37Å; A766-P770 VanDerWaalsContact O-N 3.11Å; A766-C773 HydrophobicContact CB-CB 4.43Å; A766-A777 HydrophobicContact CB-CB 3.83Å; A766-I794 HydrophobicContact CB-CD1 4.5Å; A766-I794 HydrophobicContact CB-CG2 4.12Å; A766-I794 WeakPolarHBondContact O-CG2 3.45Å
767	M	91.5	Very high	92.4	Very high	133 Å²	133	38.6 Å²	38.6	66%	0.655	20%	0.2	S	C	*	.	H	α-helix	trans	-66.5	-35.7	172.7	-70.4	178.3	68.9	0	0	112.6	L763 Q764 C765 I794	L763-M767 WeakPolarHBondContact O-CG 3.49Å; L763-M767 PolarHBondContact O-N 2.94Å; Q764-M767 PolarHBondContact O-N 2.97Å; C765-M767 VanDerWaalsContact C-N 3.31Å; C765-M767 PolarHBondContact O-N 3.48Å; M767-I794 HydrophobicContact CG-CD1 3.6Å; M767-I794 HydrophobicContact CG-CG1 3.94Å; M767-I794 HydrophobicContact CG-CG2 4.47Å; M767-I794 HydrophobicContact SD-CD1 4.5Å
768	K	90.6	Very high	92.4	Very high	139 Å²	139	37 Å²	37	60%	0.604	19%	0.189	S	C	*	.	H	α-helix	trans	-82.5	-39.3	-176.3	-169	174	-179.9	179.7	0	113.2	W718 P724 Q764 C765 A766	W718-K768 HydrophobicContact CH2-CD 3.97Å; P724-K768 HydrophobicContact CG-CD 4.13Å; P724-K768 HydrophobicContact CG-CG 4.4Å; Q764-K768 PolarHBondContact O-N 3.37Å; C765-K768 PolarHBondContact O-N 3.44Å; A766-K768 VanDerWaalsContact C-N 3.34Å
769	D	90.5	Very high	92.3	Very high	42 Å²	42	39.8 Å²	39.8	23%	0.225	21%	0.206	C	C	.	.			trans	-137.5	76.9	176	-178.6	12.2	0	0	0	110.5	P724 C765 Q771 N772 C773	P724-D769 HydrophobicContact CB-CB 4.09Å; P724-D769 HydrophobicContact CG-CB 4.29Å; C765-D769 PolarHBondContact O-N 3.43Å; D769-Q771 PolarHBondContact O-N 3.15Å; D769-N772 PolarHBondContact O-N 3.04Å; D769-N772 PolarHBondContact OD1-ND2 2.75Å; D769-N772 WeakPolarHBondContact OD2-CB 3.35Å; D769-N772 PolarHBondContact OD2-ND2 2.75Å; D769-C773 VanDerWaalsContact O-CB 3.28Å; D769-C773 WeakPolarHBondContact O-CB 3.38Å; D769-C773 PolarHBondContact O-N 3.1Å; D769-C773 VanDerWaalsContact O-N 3.12Å
770	P	89.7	Confident	92.2	Very high	29 Å²	29	39.6 Å²	39.6	19%	0.188	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-36.2	-177.2	-20.6	27.8	0	0	0	112.8	A766 N772 A774 A798 M803	A766-P770 WeakPolarHBondContact O-CA 3.32Å; A766-P770 WeakPolarHBondContact O-CB 3.48Å; A766-P770 VanDerWaalsContact O-CD 3.32Å; A766-P770 WeakPolarHBondContact O-CD 3.44Å; A766-P770 WeakPolarHBondContact O-CG 3.37Å; A766-P770 VanDerWaalsContact O-N 3.11Å; P770-N772 VanDerWaalsContact C-N 3.31Å; P770-N772 PolarHBondContact O-N 2.91Å; P770-A774 WeakPolarHBondContact O-CB 3.37Å; P770-A774 PolarHBondContact O-N 3.29Å; P770-A798 HydrophobicContact CB-CB 3.3Å; P770-A798 HydrophobicContact CG-CB 3.57Å; P770-M803 HydrophobicContact CB-CE 3.55Å
771	Q	89.8	Confident	92.1	Very high	53 Å²	53	36.4 Å²	36.4	25%	0.248	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-42	-174.4	178.6	69.7	12.2	0	0	112.5	D769 S804 Q807	D769-Q771 PolarHBondContact O-N 3.15Å; Q771-S804 VanDerWaalsContact NE2-CB 3.25Å; Q771-S804 PolarHBondContact NE2-OG 3.07Å; Q771-Q807 HydrophobicContact CG-CG 4.38Å; Q771-Q807 WeakPolarHBondContact O-CG 3.25Å
772	N	90.8	Very high	91.9	Very high	91 Å²	91	39.9 Å²	39.9	49%	0.487	20%	0.203	S	C	.	.	H	α-helix	trans	-104.3	-22.5	-175.1	-57.8	-57.6	0	0	0	113.5	T725 D769 P770	T725-N772 HydrophobicContact CG2-CB 3.39Å; D769-N772 PolarHBondContact O-N 3.04Å; D769-N772 PolarHBondContact OD1-ND2 2.75Å; D769-N772 WeakPolarHBondContact OD2-CB 3.35Å; D769-N772 PolarHBondContact OD2-ND2 2.75Å; P770-N772 VanDerWaalsContact C-N 3.31Å; P770-N772 PolarHBondContact O-N 2.91Å
773	C	92.9	Very high	91.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-103.2	-19.9	-170.6	-60.7	0	0	0	0	114.2	P724 T728 C765 A766 D769 L775 S776 A777	P724-C773 PolarHBondContact O-SG 2.89Å; T728-C773 HydrophobicContact CG2-CB 4.13Å; C765-C773 HydrophobicContact CB-CB 4.36Å; A766-C773 HydrophobicContact CB-CB 4.43Å; D769-C773 VanDerWaalsContact O-CB 3.28Å; D769-C773 WeakPolarHBondContact O-CB 3.38Å; D769-C773 PolarHBondContact O-N 3.1Å; D769-C773 VanDerWaalsContact O-N 3.12Å; C773-L775 PolarHBondContact O-N 3.24Å; C773-S776 PolarHBondContact O-N 3.41Å; C773-A777 PolarHBondContact O-N 3.4Å
774	A	91.6	Very high	91.2	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-66.6	-39	-167.7	0	0	0	0	0	114.4	P770 S776 A777 L778 V795 I811	P770-A774 WeakPolarHBondContact O-CB 3.37Å; P770-A774 PolarHBondContact O-N 3.29Å; A774-S776 VanDerWaalsContact C-N 3.34Å; A774-S776 PolarHBondContact O-N 3.32Å; A774-A777 PolarHBondContact O-N 3.22Å; A774-L778 WeakPolarHBondContact O-CG 3.31Å; A774-L778 PolarHBondContact O-N 3.2Å; A774-V795 HydrophobicContact CB-CG2 3.55Å; A774-I811 HydrophobicContact CB-CD1 4.05Å
775	L	91.6	Very high	91	Very high	52 Å²	52	52.3 Å²	52.3	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-43.9	175.8	-177.8	64.2	0	0	0	111.2	C773 L778 T779 T810 I811 Y814	C773-L775 PolarHBondContact O-N 3.24Å; L775-L778 PolarHBondContact O-N 2.92Å; L775-T779 WeakPolarHBondContact O-CG2 3.38Å; L775-T779 PolarHBondContact O-N 2.96Å; L775-T779 PolarHBondContact O-OG1 3.21Å; L775-T810 HydrophobicContact CD2-CG2 4.09Å; L775-I811 HydrophobicContact CB-CG1 4.18Å; L775-I811 HydrophobicContact CD1-CG1 4.34Å; L775-Y814 HydrophobicContact CD1-CD1 3.91Å; L775-Y814 HydrophobicContact CD1-CD2 4.07Å; L775-Y814 HydrophobicContact CD1-CG 3.6Å
776	S	91.8	Very high	90.9	Very high	29 Å²	29	58.4 Å²	58.4	20%	0.203	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-43.5	176.2	-61.9	0	0	0	0	111.6	C773 A774 L778 T779 L780	C773-S776 PolarHBondContact O-N 3.41Å; A774-S776 VanDerWaalsContact C-N 3.34Å; A774-S776 PolarHBondContact O-N 3.32Å; S776-L778 VanDerWaalsContact C-N 3.35Å; S776-L778 PolarHBondContact O-N 3.31Å; S776-T779 WeakPolarHBondContact CA-OG1 3.34Å; S776-T779 PolarHBondContact O-N 3.23Å; S776-T779 PolarHBondContact O-OG1 2.95Å; S776-L780 VanDerWaalsContact O-CG 3.28Å; S776-L780 WeakPolarHBondContact O-CG 3.16Å; S776-L780 PolarHBondContact O-N 3.18Å
777	A	93	Very high	90.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-43	176.3	0	0	0	0	0	112.5	A762 A766 C773 A774 T779 L780 C781	A762-A777 HydrophobicContact CB-CB 4.07Å; A766-A777 HydrophobicContact CB-CB 3.83Å; C773-A777 PolarHBondContact O-N 3.4Å; A774-A777 PolarHBondContact O-N 3.22Å; A777-T779 PolarHBondContact O-N 3.44Å; A777-L780 PolarHBondContact O-N 3.41Å; A777-C781 WeakPolarHBondContact O-CB 3.32Å; A777-C781 PolarHBondContact O-N 2.97Å; A777-C781 PolarHBondContact O-SG 3.32Å
778	L	92.1	Very high	90.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-43.4	175	-75.1	167.3	0	0	0	112.4	A774 L775 S776 C781 E782 F788 A791 V795 I811 Y814 M815	A774-L778 WeakPolarHBondContact O-CG 3.31Å; A774-L778 PolarHBondContact O-N 3.2Å; L775-L778 PolarHBondContact O-N 2.92Å; S776-L778 VanDerWaalsContact C-N 3.35Å; S776-L778 PolarHBondContact O-N 3.31Å; L778-C781 PolarHBondContact O-N 3.11Å; L778-E782 PolarHBondContact O-N 3.06Å; L778-F788 HydrophobicContact CB-CE2 4.41Å; L778-F788 HydrophobicContact CD2-CD2 4.13Å; L778-F788 HydrophobicContact CD2-CE2 3.87Å; L778-F788 HydrophobicContact CD2-CZ 4.27Å; L778-A791 HydrophobicContact CD2-CB 3.7Å; L778-A791 HydrophobicContact CG-CB 4.18Å; L778-V795 HydrophobicContact CD1-CG2 4.09Å; L778-I811 HydrophobicContact CD1-CG2 3.44Å; L778-I811 VanDerWaalsContact CD1-CG2 3.44Å; L778-Y814 HydrophobicContact CB-CE1 4.04Å; L778-M815 HydrophobicContact CB-CE 4.46Å; L778-M815 HydrophobicContact CD1-CE 3.41Å; L778-M815 VanDerWaalsContact CD1-CE 3.41Å; L778-M815 HydrophobicContact CD2-CE 3.32Å; L778-M815 HydrophobicContact CG-CE 3.89Å
779	T	91.7	Very high	91	Very high	57 Å²	57	48.8 Å²	48.8	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-39.1	178	55.5	0	0	0	0	113.2	L775 S776 A777 C781 Y814	L775-T779 WeakPolarHBondContact O-CG2 3.38Å; L775-T779 PolarHBondContact O-N 2.96Å; L775-T779 PolarHBondContact O-OG1 3.21Å; S776-T779 WeakPolarHBondContact CA-OG1 3.34Å; S776-T779 PolarHBondContact O-N 3.23Å; S776-T779 PolarHBondContact O-OG1 2.95Å; A777-T779 PolarHBondContact O-N 3.44Å; T779-C781 VanDerWaalsContact C-N 3.34Å; T779-Y814 WeakPolarHBondContact CA-OH 3.19Å; T779-Y814 HydrophobicContact CG2-CD2 4.36Å; T779-Y814 HydrophobicContact CG2-CE1 4.39Å; T779-Y814 HydrophobicContact CG2-CE2 3.52Å
780	L	91.1	Very high	91.1	Very high	17 Å²	17	49.8 Å²	49.8	9%	0.089	25%	0.254	C	S	.	.	H	α-helix	trans	-73.5	-29.1	-179.6	-66.1	165.8	0	0	0	111.7	A732 M736 A762 S776 A777	A732-L780 HydrophobicContact CB-CD1 3.62Å; M736-L780 HydrophobicContact CB-CD2 4.48Å; M736-L780 WeakPolarHBondContact CE-O 3.4Å; M736-L780 HydrophobicContact CG-CD2 4.42Å; M736-L780 HydrophobicContact SD-CB 3.92Å; M736-L780 HydrophobicContact SD-CD2 3.47Å; M736-L780 WeakPolarHBondContact SD-CD2 3.39Å; M736-L780 HydrophobicContact SD-CG 4.24Å; A762-L780 HydrophobicContact CB-CD1 3.82Å; S776-L780 VanDerWaalsContact O-CG 3.28Å; S776-L780 WeakPolarHBondContact O-CG 3.16Å; S776-L780 PolarHBondContact O-N 3.18Å; A777-L780 PolarHBondContact O-N 3.41Å
781	C	92.6	Very high	91.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-89.9	-1.2	-179.2	-59.8	0	0	0	0	114.2	A777 L778 T779 K783 D784 A787 F788	A777-C781 WeakPolarHBondContact O-CB 3.32Å; A777-C781 PolarHBondContact O-N 2.97Å; A777-C781 PolarHBondContact O-SG 3.32Å; L778-C781 PolarHBondContact O-N 3.11Å; T779-C781 VanDerWaalsContact C-N 3.34Å; C781-K783 PolarHBondContact O-N 3.5Å; C781-D784 CarbonylContact O-C 3.54Å; C781-D784 PolarHBondContact O-N 2.75Å; C781-A787 HydrophobicContact CB-CB 3.83Å; C781-F788 HydrophobicContact CB-CB 4.35Å
782	E	88.6	Confident	91.4	Very high	76 Å²	76	46.4 Å²	46.4	36%	0.355	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.4	-171.1	-170.7	176.7	173.9	0	0	114.5	L778 Y814 R818	L778-E782 PolarHBondContact O-N 3.06Å; E782-Y814 PolarHBondContact OE2-OH 3.35Å; E782-R818 VanDerWaalsContact CD-NH1 3.26Å; E782-R818 VanDerWaalsContact OE1-CD 3.3Å; E782-R818 WeakPolarHBondContact OE1-CD 3.36Å; E782-R818 IonicContact OE1-CZ 3.59Å; E782-R818 VanDerWaalsContact OE1-CZ 3.27Å; E782-R818 IonicContact OE1-NE 3.13Å; E782-R818 PolarHBondContact OE1-NE 3.04Å; E782-R818 IonicContact OE1-NH1 3.88Å; E782-R818 PolarHBondContact OE1-NH1 3.14Å; E782-R818 IonicContact OE2-CZ 3.26Å; E782-R818 IonicContact OE2-NE 2.97Å; E782-R818 IonicContact OE2-NH1 3.94Å; E782-R818 PolarHBondContact OE2-NH1 3.16Å; E782-R818 IonicContact OE2-NH2 2.98Å; E782-R818 PolarHBondContact OE2-NH2 2.97Å
783	K	85.9	Confident	91.5	Very high	201 Å²	201	46.5 Å²	46.5	87%	0.874	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.5	-179.5	-65	-175	178.5	-179.5	0	114.4	C781	C781-K783 PolarHBondContact O-N 3.5Å
784	D	90	Very high	91.5	Very high	47 Å²	47	47.4 Å²	47.4	25%	0.251	24%	0.237	S	C	.	.			trans	-118.7	112.3	-179.6	172.3	11.7	0	0	0	110.3	R759 C781 I786 A787 F788	R759-D784 IonicContact CZ-OD2 3.67Å; R759-D784 IonicContact NE-OD2 3.98Å; R759-D784 VanDerWaalsContact NH1-CB 3.32Å; C781-D784 CarbonylContact O-C 3.54Å; C781-D784 PolarHBondContact O-N 2.75Å; D784-I786 VanDerWaalsContact C-N 3.29Å; D784-I786 PolarHBondContact O-N 3Å; D784-I786 PolarHBondContact OD1-N 2.61Å; D784-A787 HydrophobicContact CB-CB 4.17Å; D784-A787 PolarHBondContact O-N 3.21Å; D784-A787 WeakPolarHBondContact OD2-CB 3.33Å; D784-F788 VanDerWaalsContact O-CB 3.27Å; D784-F788 WeakPolarHBondContact O-CB 3.24Å; D784-F788 PolarHBondContact O-N 3.36Å
785	H	89.1	Confident	91.6	Very high	129 Å²	129	47.3 Å²	47.3	60%	0.597	24%	0.236	S	C	*	.	H	α-helix	trans	-57.7	-39.8	-176.4	-170.5	-56.2	0	0	0	112.3	E789	H785-E789 IonicContact CE1-OE1 3.37Å; H785-E789 PolarHBondContact CE1-OE1 2.92Å; H785-E789 IonicContact ND1-OE1 3.95Å; H785-E789 IonicContact NE2-OE1 3.63Å; H785-E789 WeakPolarHBondContact O-CG 3.34Å; H785-E789 PolarHBondContact O-N 3.43Å
786	I	91.4	Very high	91.6	Very high	129 Å²	129	46.5 Å²	46.5	66%	0.662	23%	0.232	S	C	*	.	H	α-helix	trans	-71.8	-47	-174.8	-60.3	174.9	0	0	0	110	D784 F788 E789 T790	D784-I786 VanDerWaalsContact C-N 3.29Å; D784-I786 PolarHBondContact O-N 3Å; D784-I786 PolarHBondContact OD1-N 2.61Å; I786-F788 VanDerWaalsContact C-N 3.32Å; I786-F788 PolarHBondContact O-N 3.16Å; I786-E789 PolarHBondContact O-N 3.33Å; I786-T790 PolarHBondContact O-N 3.14Å; I786-T790 PolarHBondContact O-OG1 3.02Å
787	A	91.7	Very high	91.5	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-38.4	176.6	0	0	0	0	0	111.8	R759 L763 C781 D784 T790 A791	R759-A787 HydrophobicContact CB-CB 4.46Å; L763-A787 HydrophobicContact CD1-CB 4.28Å; C781-A787 HydrophobicContact CB-CB 3.83Å; D784-A787 HydrophobicContact CB-CB 4.17Å; D784-A787 PolarHBondContact O-N 3.21Å; D784-A787 WeakPolarHBondContact OD2-CB 3.33Å; A787-T790 PolarHBondContact O-N 2.98Å; A787-A791 WeakPolarHBondContact O-CB 3.42Å; A787-A791 PolarHBondContact O-N 2.78Å
788	F	92.9	Very high	91.3	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-44.8	177.4	-172.9	-98	0	0	0	112.7	L778 C781 D784 I786 T790 A791 Y792 M815 Y820	L778-F788 HydrophobicContact CB-CE2 4.41Å; L778-F788 HydrophobicContact CD2-CD2 4.13Å; L778-F788 HydrophobicContact CD2-CE2 3.87Å; L778-F788 HydrophobicContact CD2-CZ 4.27Å; C781-F788 HydrophobicContact CB-CB 4.35Å; D784-F788 VanDerWaalsContact O-CB 3.27Å; D784-F788 WeakPolarHBondContact O-CB 3.24Å; D784-F788 PolarHBondContact O-N 3.36Å; I786-F788 VanDerWaalsContact C-N 3.32Å; I786-F788 PolarHBondContact O-N 3.16Å; F788-T790 VanDerWaalsContact C-N 3.3Å; F788-T790 PolarHBondContact O-N 3.06Å; F788-A791 PolarHBondContact O-N 3.26Å; F788-Y792 WeakPolarHBondContact O-CB 3.39Å; F788-Y792 PolarHBondContact O-N 2.82Å; F788-M815 HydrophobicContact CE1-CE 4.28Å; F788-M815 HydrophobicContact CE1-SD 4.33Å; F788-M815 HydrophobicContact CE2-CE 4.17Å; F788-M815 HydrophobicContact CZ-CE 3.59Å; F788-M815 HydrophobicContact CZ-SD 3.78Å; F788-Y820 HydrophobicContact CE1-CD2 4.41Å; F788-Y820 HydrophobicContact CE1-CE2 4.11Å; F788-Y820 HydrophobicContact CZ-CD2 4.35Å; F788-Y820 HydrophobicContact CZ-CE2 4.14Å
789	E	92	Very high	91.1	Very high	58 Å²	58	49.7 Å²	49.7	27%	0.271	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-42	173.8	-71.7	-48.9	142.2	0	0	111.6	H785 I786 Y792 Q793 R823	H785-E789 IonicContact CE1-OE1 3.37Å; H785-E789 PolarHBondContact CE1-OE1 2.92Å; H785-E789 IonicContact ND1-OE1 3.95Å; H785-E789 IonicContact NE2-OE1 3.63Å; H785-E789 WeakPolarHBondContact O-CG 3.34Å; H785-E789 PolarHBondContact O-N 3.43Å; I786-E789 PolarHBondContact O-N 3.33Å; E789-Y792 PolarHBondContact O-N 3.2Å; E789-Q793 PolarHBondContact O-N 3.43Å; E789-R823 VanDerWaalsContact CD-NH1 3.32Å; E789-R823 IonicContact OE1-CZ 2.76Å; E789-R823 IonicContact OE1-NH1 3.96Å; E789-R823 PolarHBondContact OE1-NH1 2.59Å; E789-R823 IonicContact OE1-NH2 3.54Å; E789-R823 PolarHBondContact OE1-NH2 3.47Å; E789-R823 IonicContact OE2-CZ 3.73Å; E789-R823 IonicContact OE2-NH1 2.7Å; E789-R823 PolarHBondContact OE2-NH1 3.38Å; E789-R823 IonicContact OE2-NH2 3.77Å
790	T	93.3	Very high	90.7	Very high	63 Å²	63	50.8 Å²	50.8	39%	0.387	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-45.5	178.7	-52.9	0	0	0	0	111	L763 I786 A787 F788 Y792 Q793 I794	L763-T790 HydrophobicContact CD1-CG2 4.26Å; L763-T790 HydrophobicContact CD2-CG2 4.22Å; I786-T790 PolarHBondContact O-N 3.14Å; I786-T790 PolarHBondContact O-OG1 3.02Å; A787-T790 PolarHBondContact O-N 2.98Å; F788-T790 VanDerWaalsContact C-N 3.3Å; F788-T790 PolarHBondContact O-N 3.06Å; T790-Y792 VanDerWaalsContact C-N 3.33Å; T790-Y792 PolarHBondContact O-N 3.13Å; T790-Q793 PolarHBondContact O-N 3.46Å; T790-I794 HydrophobicContact CG2-CD1 4.4Å; T790-I794 WeakPolarHBondContact O-CG1 3.47Å; T790-I794 PolarHBondContact O-N 3.4Å
791	A	93	Very high	90.1	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-41.1	175	0	0	0	0	0	112.1	L763 L778 A787 F788 I794 V795	L763-A791 HydrophobicContact CD2-CB 3.6Å; L778-A791 HydrophobicContact CD2-CB 3.7Å; L778-A791 HydrophobicContact CG-CB 4.18Å; A787-A791 WeakPolarHBondContact O-CB 3.42Å; A787-A791 PolarHBondContact O-N 2.78Å; F788-A791 PolarHBondContact O-N 3.26Å; A791-I794 PolarHBondContact O-N 2.88Å; A791-V795 WeakPolarHBondContact O-CG2 3.24Å; A791-V795 PolarHBondContact O-N 3.37Å
792	Y	93.4	Very high	89.4	Confident	11 Å²	11	58.6 Å²	58.6	4%	0.043	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-40.3	176.2	-179.2	-108.5	0	0	0	112	F788 E789 T790 V795 L796 M815 R823 L827	F788-Y792 WeakPolarHBondContact O-CB 3.39Å; F788-Y792 PolarHBondContact O-N 2.82Å; E789-Y792 PolarHBondContact O-N 3.2Å; T790-Y792 VanDerWaalsContact C-N 3.33Å; T790-Y792 PolarHBondContact O-N 3.13Å; Y792-V795 WeakPolarHBondContact O-CB 3.3Å; Y792-V795 PolarHBondContact O-N 3.44Å; Y792-L796 HydrophobicContact CD1-CD1 3.99Å; Y792-L796 HydrophobicContact CD1-CG 4.5Å; Y792-L796 HydrophobicContact CE1-CD1 3.5Å; Y792-L796 VanDerWaalsContact CE1-CD1 3.5Å; Y792-L796 HydrophobicContact CE1-CG 4.09Å; Y792-L796 PolarHBondContact O-N 3.16Å; Y792-L796 VanDerWaalsContact O-N 3.09Å; Y792-M815 HydrophobicContact CD2-CE 3.77Å; Y792-M815 HydrophobicContact CD2-SD 4.28Å; Y792-M815 HydrophobicContact CE2-CE 4.48Å; Y792-R823 HydrophobicContact CE1-CB 4.4Å; Y792-R823 HydrophobicContact CE1-CG 4.22Å; Y792-R823 HydrophobicContact CE2-CB 3.79Å; Y792-R823 HydrophobicContact CE2-CG 4.41Å; Y792-R823 VanDerWaalsContact OH-CA 3.32Å; Y792-R823 WeakPolarHBondContact OH-CA 3.25Å; Y792-R823 WeakPolarHBondContact OH-CB 3.43Å; Y792-R823 PolarHBondContact OH-O 3.15Å; Y792-L827 HydrophobicContact CD2-CD1 4.38Å; Y792-L827 HydrophobicContact CE2-CD1 3.75Å; Y792-L827 HydrophobicContact CE2-CD2 4.32Å; Y792-L827 HydrophobicContact CE2-CG 3.92Å
793	Q	92.9	Very high	89.3	Confident	92 Å²	92	55.4 Å²	55.4	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-40.9	176.5	-169.9	58.1	43	0	0	111.9	E789 T790 V795 L796 D797	E789-Q793 PolarHBondContact O-N 3.43Å; T790-Q793 PolarHBondContact O-N 3.46Å; Q793-V795 PolarHBondContact O-N 2.91Å; Q793-L796 PolarHBondContact O-N 3.39Å; Q793-L796 VanDerWaalsContact O-N 3.07Å; Q793-D797 PolarHBondContact NE2-OD1 2.89Å; Q793-D797 PolarHBondContact O-N 3.06Å
794	I	92.3	Very high	89.5	Confident	19 Å²	19	47.4 Å²	47.4	10%	0.097	28%	0.277	C	S	.	.	H	α-helix	trans	-56.7	-40.4	173.8	-67.4	162.3	0	0	0	110.9	L763 A766 M767 T790 A791 A798	L763-I794 HydrophobicContact CB-CD1 4.46Å; L763-I794 HydrophobicContact CD2-CD1 4.02Å; A766-I794 HydrophobicContact CB-CD1 4.5Å; A766-I794 HydrophobicContact CB-CG2 4.12Å; A766-I794 WeakPolarHBondContact O-CG2 3.45Å; M767-I794 HydrophobicContact CG-CD1 3.6Å; M767-I794 HydrophobicContact CG-CG1 3.94Å; M767-I794 HydrophobicContact CG-CG2 4.47Å; M767-I794 HydrophobicContact SD-CD1 4.5Å; T790-I794 HydrophobicContact CG2-CD1 4.4Å; T790-I794 WeakPolarHBondContact O-CG1 3.47Å; T790-I794 PolarHBondContact O-N 3.4Å; A791-I794 PolarHBondContact O-N 2.88Å; I794-A798 WeakPolarHBondContact O-CB 3.48Å; I794-A798 PolarHBondContact O-N 3.33Å
795	V	92.9	Very high	89.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-44.4	175.7	178	0	0	0	0	111.5	A774 L778 A791 Y792 Q793 A798 A799 M803 L808 I811 L827	A774-V795 HydrophobicContact CB-CG2 3.55Å; L778-V795 HydrophobicContact CD1-CG2 4.09Å; A791-V795 WeakPolarHBondContact O-CG2 3.24Å; A791-V795 PolarHBondContact O-N 3.37Å; Y792-V795 WeakPolarHBondContact O-CB 3.3Å; Y792-V795 PolarHBondContact O-N 3.44Å; Q793-V795 PolarHBondContact O-N 2.91Å; V795-A798 PolarHBondContact O-N 3.46Å; V795-A799 VanDerWaalsContact O-CB 3.27Å; V795-A799 WeakPolarHBondContact O-CB 3.2Å; V795-A799 PolarHBondContact O-N 2.94Å; V795-M803 HydrophobicContact CG1-CE 4.45Å; V795-M803 HydrophobicContact CG1-SD 4.48Å; V795-L808 HydrophobicContact CG1-CD2 4.19Å; V795-I811 HydrophobicContact CG1-CD1 4.07Å; V795-I811 HydrophobicContact CG1-CG2 4.29Å; V795-I811 HydrophobicContact CG2-CD1 4.22Å; V795-L827 HydrophobicContact CB-CD2 4.47Å; V795-L827 HydrophobicContact CG1-CD1 4.21Å; V795-L827 HydrophobicContact CG1-CD2 3.53Å
796	L	91.4	Very high	89.4	Confident	35 Å²	35	44.9 Å²	44.9	18%	0.183	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-44.2	179.1	-71.8	175.4	0	0	0	112	Y792 Q793 A799 A800 L827 L830	Y792-L796 HydrophobicContact CD1-CD1 3.99Å; Y792-L796 HydrophobicContact CD1-CG 4.5Å; Y792-L796 HydrophobicContact CE1-CD1 3.5Å; Y792-L796 VanDerWaalsContact CE1-CD1 3.5Å; Y792-L796 HydrophobicContact CE1-CG 4.09Å; Y792-L796 PolarHBondContact O-N 3.16Å; Y792-L796 VanDerWaalsContact O-N 3.09Å; Q793-L796 PolarHBondContact O-N 3.39Å; Q793-L796 VanDerWaalsContact O-N 3.07Å; L796-A799 WeakPolarHBondContact O-CB 3.34Å; L796-A799 PolarHBondContact O-N 3.26Å; L796-A800 PolarHBondContact O-N 3.29Å; L796-L827 HydrophobicContact CD2-CD2 3.71Å; L796-L827 HydrophobicContact CG-CD2 4.43Å; L796-L830 HydrophobicContact CD2-CD1 3.79Å
797	D	90.5	Very high	89.4	Confident	90 Å²	90	41.6 Å²	41.6	48%	0.481	25%	0.248	S	C	.	.	H	α-helix	trans	-65.4	-42.9	178.6	-63.9	-16	0	0	0	110.4	Q793 A799 A800 T801	Q793-D797 PolarHBondContact NE2-OD1 2.89Å; Q793-D797 PolarHBondContact O-N 3.06Å; D797-A799 VanDerWaalsContact C-N 3.33Å; D797-A799 PolarHBondContact O-N 3.32Å; D797-A800 WeakPolarHBondContact O-CB 3.32Å; D797-A800 PolarHBondContact O-N 2.96Å; D797-A800 VanDerWaalsContact O-N 3.13Å; D797-T801 PolarHBondContact O-N 3.27Å; D797-T801 PolarHBondContact O-OG1 3.47Å
798	A	89.8	Confident	89.4	Confident	6 Å²	6	41.3 Å²	41.3	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-68	-32.3	177.2	0	0	0	0	0	113.4	P770 I794 V795 A800 T801 G802 M803	P770-A798 HydrophobicContact CB-CB 3.3Å; P770-A798 HydrophobicContact CG-CB 3.57Å; I794-A798 WeakPolarHBondContact O-CB 3.48Å; I794-A798 PolarHBondContact O-N 3.33Å; V795-A798 PolarHBondContact O-N 3.46Å; A798-A800 PolarHBondContact O-N 3.43Å; A798-T801 WeakPolarHBondContact CA-OG1 3.24Å; A798-T801 PolarHBondContact O-N 3.03Å; A798-T801 PolarHBondContact O-OG1 3.26Å; A798-T801 VanDerWaalsContact O-OG1 3.14Å; A798-G802 PolarHBondContact O-N 3.3Å; A798-M803 HydrophobicContact CB-CE 3.56Å; A798-M803 WeakPolarHBondContact O-CB 3.32Å; A798-M803 PolarHBondContact O-N 2.9Å; A798-M803 VanDerWaalsContact O-N 3.11Å
799	A	87.5	Confident	89.3	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-36.2	172	0	0	0	0	0	110.7	V795 L796 D797 L808 L830 H834	V795-A799 VanDerWaalsContact O-CB 3.27Å; V795-A799 WeakPolarHBondContact O-CB 3.2Å; V795-A799 PolarHBondContact O-N 2.94Å; L796-A799 WeakPolarHBondContact O-CB 3.34Å; L796-A799 PolarHBondContact O-N 3.26Å; D797-A799 VanDerWaalsContact C-N 3.33Å; D797-A799 PolarHBondContact O-N 3.32Å; A799-L808 HydrophobicContact CB-CD1 4.09Å; A799-L808 HydrophobicContact CB-CD2 3.6Å; A799-L830 HydrophobicContact CB-CB 4.28Å; A799-L830 HydrophobicContact CB-CD1 3.87Å; A799-H834 PolarHBondContact O-CE1 2.96Å; A799-H834 PolarHBondContact O-NE2 3.22Å
800	A	82.4	Confident	89.4	Confident	80 Å²	80	41.2 Å²	41.2	66%	0.661	25%	0.25	S	S	*	.	H	α-helix	trans	-71.8	-29.8	175.8	0	0	0	0	0	113.2	L796 D797 A798	L796-A800 PolarHBondContact O-N 3.29Å; D797-A800 WeakPolarHBondContact O-CB 3.32Å; D797-A800 PolarHBondContact O-N 2.96Å; D797-A800 VanDerWaalsContact O-N 3.13Å; A798-A800 PolarHBondContact O-N 3.43Å
801	T	78.9	Confident	89.3	Confident	124 Å²	124	38.3 Å²	38.3	76%	0.761	23%	0.232	S	C	*	.	H	α-helix	trans	-92.3	2.3	-175.9	55.6	0	0	0	0	115.1	D797 A798	D797-T801 PolarHBondContact O-N 3.27Å; D797-T801 PolarHBondContact O-OG1 3.47Å; A798-T801 WeakPolarHBondContact CA-OG1 3.24Å; A798-T801 PolarHBondContact O-N 3.03Å; A798-T801 PolarHBondContact O-OG1 3.26Å; A798-T801 VanDerWaalsContact O-OG1 3.14Å
802	G	76.9	Confident	89.2	Confident	57 Å²	57	38.2 Å²	38.2	59%	0.588	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	115.8	24.9	171.2	0	0	0	0	0	117	A798	A798-G802 PolarHBondContact O-N 3.3Å
803	M	87.3	Confident	89.1	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.049	24%	0.243	C	C	.	.			trans	-54.6	143.9	168.3	-167.8	-176.8	-78.4	0	0	111.1	P770 V795 A798 Q807 L808 I811 H834	P770-M803 HydrophobicContact CB-CE 3.55Å; V795-M803 HydrophobicContact CG1-CE 4.45Å; V795-M803 HydrophobicContact CG1-SD 4.48Å; A798-M803 HydrophobicContact CB-CE 3.56Å; A798-M803 WeakPolarHBondContact O-CB 3.32Å; A798-M803 PolarHBondContact O-N 2.9Å; A798-M803 VanDerWaalsContact O-N 3.11Å; M803-Q807 HydrophobicContact CG-CB 4.4Å; M803-Q807 HydrophobicContact SD-CB 4.46Å; M803-L808 HydrophobicContact CB-CD1 4.36Å; M803-L808 HydrophobicContact CB-CD2 4.34Å; M803-L808 HydrophobicContact CB-CG 4.23Å; M803-L808 HydrophobicContact CG-CD2 4.22Å; M803-L808 HydrophobicContact CG-CG 4.07Å; M803-L808 HydrophobicContact SD-CD2 3.37Å; M803-L808 WeakPolarHBondContact SD-CD2 3.29Å; M803-L808 HydrophobicContact SD-CG 3.77Å; M803-I811 HydrophobicContact SD-CD1 4.15Å; M803-H834 PolarHBondContact O-ND1 2.93Å
804	S	89.3	Confident	89.1	Confident	33 Å²	33	38.3 Å²	38.3	23%	0.231	23%	0.228	C	C	.	.			trans	-67.4	142.1	-179.7	84.3	0	0	0	0	111.4	Q771 T806 Q807 L808	Q771-S804 VanDerWaalsContact NE2-CB 3.25Å; Q771-S804 PolarHBondContact NE2-OG 3.07Å; S804-T806 PolarHBondContact O-N 3.47Å; S804-T806 PolarHBondContact OG-OG1 3.19Å; S804-Q807 PolarHBondContact O-N 3.01Å; S804-Q807 PolarHBondContact OG-N 2.95Å; S804-L808 PolarHBondContact O-N 3.37Å; S804-L808 VanDerWaalsContact O-N 3.11Å
805	Y	88.7	Confident	89	Confident	61 Å²	61	37.4 Å²	37.4	24%	0.239	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-33.5	176.9	66.2	-96.6	0	0	0	112.1	L808 F809 A831 L835 H844 A846	Y805-L808 PolarHBondContact O-N 2.83Å; Y805-F809 HydrophobicContact CD2-CD2 4.24Å; Y805-F809 HydrophobicContact CD2-CE2 4.29Å; Y805-F809 WeakPolarHBondContact O-CD2 3.31Å; Y805-F809 PolarHBondContact O-N 2.86Å; Y805-A831 WeakPolarHBondContact CB-O 3.26Å; Y805-L835 HydrophobicContact CD1-CD1 4.24Å; Y805-L835 HydrophobicContact CD2-CD1 3.72Å; Y805-L835 HydrophobicContact CE1-CD1 4.17Å; Y805-L835 HydrophobicContact CE2-CD1 3.64Å; Y805-L835 HydrophobicContact CG-CB 4.48Å; Y805-L835 HydrophobicContact CG-CD1 4.04Å; Y805-H844 PolarHBondContact OH-CE1 3.04Å; Y805-A846 HydrophobicContact CD2-CB 4.5Å; Y805-A846 HydrophobicContact CE2-CB 3.89Å
806	T	89.6	Confident	88.9	Confident	62 Å²	62	40.4 Å²	40.4	38%	0.38	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-42.2	178.4	50.7	0	0	0	0	112.8	S804 T810	S804-T806 PolarHBondContact O-N 3.47Å; S804-T806 PolarHBondContact OG-OG1 3.19Å; T806-T810 PolarHBondContact O-N 3.07Å; T806-T810 PolarHBondContact O-OG1 2.96Å
807	Q	90	Very high	88.8	Confident	59 Å²	59	46.3 Å²	46.3	28%	0.276	26%	0.264	S	S	.	.	H	α-helix	trans	-72.3	-40.2	177	-69.3	-60.5	-13.7	0	0	111.1	Q771 M803 S804 F809 T810 I811	Q771-Q807 HydrophobicContact CG-CG 4.38Å; Q771-Q807 WeakPolarHBondContact O-CG 3.25Å; M803-Q807 HydrophobicContact CG-CB 4.4Å; M803-Q807 HydrophobicContact SD-CB 4.46Å; S804-Q807 PolarHBondContact O-N 3.01Å; S804-Q807 PolarHBondContact OG-N 2.95Å; Q807-F809 PolarHBondContact O-N 3.2Å; Q807-T810 WeakPolarHBondContact O-CB 3.46Å; Q807-T810 PolarHBondContact O-N 3.31Å; Q807-T810 VanDerWaalsContact O-N 3.13Å; Q807-I811 WeakPolarHBondContact O-CG1 3.27Å; Q807-I811 PolarHBondContact O-N 3.31Å
808	L	91.9	Very high	88.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-43.3	176.1	-70	170.4	0	0	0	112.4	V795 A799 M803 S804 Y805 T810 I811 A812 L827 A831	V795-L808 HydrophobicContact CG1-CD2 4.19Å; A799-L808 HydrophobicContact CB-CD1 4.09Å; A799-L808 HydrophobicContact CB-CD2 3.6Å; M803-L808 HydrophobicContact CB-CD1 4.36Å; M803-L808 HydrophobicContact CB-CD2 4.34Å; M803-L808 HydrophobicContact CB-CG 4.23Å; M803-L808 HydrophobicContact CG-CD2 4.22Å; M803-L808 HydrophobicContact CG-CG 4.07Å; M803-L808 HydrophobicContact SD-CD2 3.37Å; M803-L808 WeakPolarHBondContact SD-CD2 3.29Å; M803-L808 HydrophobicContact SD-CG 3.77Å; S804-L808 PolarHBondContact O-N 3.37Å; S804-L808 VanDerWaalsContact O-N 3.11Å; Y805-L808 PolarHBondContact O-N 2.83Å; L808-T810 VanDerWaalsContact C-N 3.34Å; L808-T810 PolarHBondContact O-N 2.93Å; L808-I811 PolarHBondContact O-N 3.08Å; L808-A812 VanDerWaalsContact O-CB 3.24Å; L808-A812 WeakPolarHBondContact O-CB 3.34Å; L808-A812 PolarHBondContact O-N 3.28Å; L808-L827 HydrophobicContact CD2-CD2 4.47Å; L808-A831 HydrophobicContact CB-CB 3.59Å; L808-A831 HydrophobicContact CD1-CB 4.21Å
809	F	92.4	Very high	88.5	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-37.3	174.7	-78.5	-58.4	0	0	0	112.9	Y805 Q807 A812 R813 A828 A831 M832 D849 W852 A853	Y805-F809 HydrophobicContact CD2-CD2 4.24Å; Y805-F809 HydrophobicContact CD2-CE2 4.29Å; Y805-F809 WeakPolarHBondContact O-CD2 3.31Å; Y805-F809 PolarHBondContact O-N 2.86Å; Q807-F809 PolarHBondContact O-N 3.2Å; F809-A812 PolarHBondContact O-N 3.05Å; F809-R813 PolarHBondContact O-N 3.44Å; F809-A828 HydrophobicContact CE1-CB 4.33Å; F809-A831 HydrophobicContact CD1-CB 4.01Å; F809-A831 HydrophobicContact CD2-CB 3.89Å; F809-A831 HydrophobicContact CE1-CB 3.82Å; F809-A831 HydrophobicContact CE2-CB 3.69Å; F809-A831 HydrophobicContact CG-CB 4.02Å; F809-A831 HydrophobicContact CZ-CB 3.65Å; F809-M832 HydrophobicContact CE1-CG 4.36Å; F809-M832 HydrophobicContact CE1-SD 4.37Å; F809-M832 HydrophobicContact CZ-CG 3.96Å; F809-M832 HydrophobicContact CZ-SD 3.68Å; F809-D849 HydrophobicContact CB-CB 4.11Å; F809-D849 HydrophobicContact CD1-CB 3.87Å; F809-D849 HydrophobicContact CD2-CB 3.63Å; F809-D849 HydrophobicContact CE1-CB 4.16Å; F809-D849 HydrophobicContact CE2-CB 3.94Å; F809-D849 HydrophobicContact CG-CB 3.61Å; F809-D849 HydrophobicContact CZ-CB 4.2Å; F809-W852 HydrophobicContact CD1-CE3 4.23Å; F809-W852 AromaticContact CD1-CZ3 3.99Å; F809-W852 HydrophobicContact CD1-CZ3 3.99Å; F809-A853 HydrophobicContact CE1-CB 4.05Å
810	T	92.1	Very high	88.6	Confident	63 Å²	63	54.3 Å²	54.3	39%	0.387	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-45.7	176.5	-56.2	0	0	0	0	111	L775 T806 Q807 L808 R813 Y814	L775-T810 HydrophobicContact CD2-CG2 4.09Å; T806-T810 PolarHBondContact O-N 3.07Å; T806-T810 PolarHBondContact O-OG1 2.96Å; Q807-T810 WeakPolarHBondContact O-CB 3.46Å; Q807-T810 PolarHBondContact O-N 3.31Å; Q807-T810 VanDerWaalsContact O-N 3.13Å; L808-T810 VanDerWaalsContact C-N 3.34Å; L808-T810 PolarHBondContact O-N 2.93Å; T810-R813 PolarHBondContact O-N 3.38Å; T810-Y814 PolarHBondContact O-N 2.84Å
811	I	92.2	Very high	88.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-40	176.8	-61.4	166.6	0	0	0	110.9	A774 L775 L778 V795 M803 Q807 L808 R813 Y814 M815 L827	A774-I811 HydrophobicContact CB-CD1 4.05Å; L775-I811 HydrophobicContact CB-CG1 4.18Å; L775-I811 HydrophobicContact CD1-CG1 4.34Å; L778-I811 HydrophobicContact CD1-CG2 3.44Å; L778-I811 VanDerWaalsContact CD1-CG2 3.44Å; V795-I811 HydrophobicContact CG1-CD1 4.07Å; V795-I811 HydrophobicContact CG1-CG2 4.29Å; V795-I811 HydrophobicContact CG2-CD1 4.22Å; M803-I811 HydrophobicContact SD-CD1 4.15Å; Q807-I811 WeakPolarHBondContact O-CG1 3.27Å; Q807-I811 PolarHBondContact O-N 3.31Å; L808-I811 PolarHBondContact O-N 3.08Å; I811-R813 PolarHBondContact O-N 3.37Å; I811-Y814 WeakPolarHBondContact O-CB 3.45Å; I811-Y814 PolarHBondContact O-N 3.39Å; I811-M815 WeakPolarHBondContact O-CG 3.43Å; I811-M815 PolarHBondContact O-N 3.27Å; I811-L827 HydrophobicContact CB-CD1 4.4Å; I811-L827 HydrophobicContact CG2-CD1 3.69Å
812	A	91.6	Very high	89.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-43.4	177.4	0	0	0	0	0	111.8	L808 F809 M815 E816 A824 L827 A828 W852	L808-A812 VanDerWaalsContact O-CB 3.24Å; L808-A812 WeakPolarHBondContact O-CB 3.34Å; L808-A812 PolarHBondContact O-N 3.28Å; F809-A812 PolarHBondContact O-N 3.05Å; A812-M815 WeakPolarHBondContact O-CB 3.24Å; A812-M815 PolarHBondContact O-N 2.89Å; A812-E816 PolarHBondContact O-N 3.05Å; A812-A824 WeakPolarHBondContact O-CB 3.29Å; A812-L827 HydrophobicContact CB-CB 3.81Å; A812-A828 HydrophobicContact CB-CB 4.36Å; A812-W852 HydrophobicContact CB-CH2 3.64Å; A812-W852 HydrophobicContact CB-CZ3 3.97Å
813	R	91.6	Very high	90	Very high	76 Å²	76	51.5 Å²	51.5	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-42.9	173.5	-79.7	-172.1	175.3	135.2	6.3	112.3	F809 T810 I811 M815 E816 H817 N848 D849 W852	F809-R813 PolarHBondContact O-N 3.44Å; T810-R813 PolarHBondContact O-N 3.38Å; I811-R813 PolarHBondContact O-N 3.37Å; R813-M815 VanDerWaalsContact C-N 3.27Å; R813-M815 PolarHBondContact O-N 2.86Å; R813-E816 PolarHBondContact O-N 3.33Å; R813-H817 PolarHBondContact O-CD2 3.29Å; R813-H817 PolarHBondContact O-N 3.17Å; R813-N848 PolarHBondContact NH2-O 2.94Å; R813-D849 IonicContact CZ-OD1 3.86Å; R813-D849 IonicContact NH1-OD1 3.83Å; R813-D849 PolarHBondContact NH1-OD1 3Å; R813-D849 IonicContact NH2-OD1 3.06Å; R813-D849 PolarHBondContact NH2-OD1 2.95Å; R813-W852 HydrophobicContact CB-CZ2 4.3Å; R813-W852 HydrophobicContact CG-CD2 3.94Å; R813-W852 HydrophobicContact CG-CE3 4.15Å; R813-W852 HydrophobicContact CG-CH2 3.84Å; R813-W852 HydrophobicContact CG-CZ2 3.59Å; R813-W852 HydrophobicContact CG-CZ3 4.11Å
814	Y	91.6	Very high	90.2	Very high	29 Å²	29	51 Å²	51	11%	0.114	25%	0.254	C	S	.	.	H	α-helix	trans	-56.9	-43.4	174.3	171.9	-96.4	0	0	0	111.3	L775 L778 T779 E782 T810 I811 E816 H817 R818	L775-Y814 HydrophobicContact CD1-CD1 3.91Å; L775-Y814 HydrophobicContact CD1-CD2 4.07Å; L775-Y814 HydrophobicContact CD1-CG 3.6Å; L778-Y814 HydrophobicContact CB-CE1 4.04Å; T779-Y814 WeakPolarHBondContact CA-OH 3.19Å; T779-Y814 HydrophobicContact CG2-CD2 4.36Å; T779-Y814 HydrophobicContact CG2-CE1 4.39Å; T779-Y814 HydrophobicContact CG2-CE2 3.52Å; E782-Y814 PolarHBondContact OE2-OH 3.35Å; T810-Y814 PolarHBondContact O-N 2.84Å; I811-Y814 WeakPolarHBondContact O-CB 3.45Å; I811-Y814 PolarHBondContact O-N 3.39Å; Y814-E816 PolarHBondContact O-N 3.38Å; Y814-H817 PolarHBondContact O-N 2.82Å; Y814-R818 HydrophobicContact CD2-CG 4.42Å; Y814-R818 HydrophobicContact CE1-CG 4.11Å; Y814-R818 HydrophobicContact CE2-CG 3.97Å; Y814-R818 WeakPolarHBondContact O-CG 3.47Å; Y814-R818 PolarHBondContact O-N 3.32Å; Y814-R818 VanDerWaalsContact O-N 3.13Å
815	M	91.4	Very high	90.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-39.8	177.2	-72.1	-73.4	166.1	0	0	113.4	L778 F788 Y792 I811 A812 R813 R818 G819 Y820 A824 L827	L778-M815 HydrophobicContact CB-CE 4.46Å; L778-M815 HydrophobicContact CD1-CE 3.41Å; L778-M815 VanDerWaalsContact CD1-CE 3.41Å; L778-M815 HydrophobicContact CD2-CE 3.32Å; L778-M815 HydrophobicContact CG-CE 3.89Å; F788-M815 HydrophobicContact CE1-CE 4.28Å; F788-M815 HydrophobicContact CE1-SD 4.33Å; F788-M815 HydrophobicContact CE2-CE 4.17Å; F788-M815 HydrophobicContact CZ-CE 3.59Å; F788-M815 HydrophobicContact CZ-SD 3.78Å; Y792-M815 HydrophobicContact CD2-CE 3.77Å; Y792-M815 HydrophobicContact CD2-SD 4.28Å; Y792-M815 HydrophobicContact CE2-CE 4.48Å; I811-M815 WeakPolarHBondContact O-CG 3.43Å; I811-M815 PolarHBondContact O-N 3.27Å; A812-M815 WeakPolarHBondContact O-CB 3.24Å; A812-M815 PolarHBondContact O-N 2.89Å; R813-M815 VanDerWaalsContact C-N 3.27Å; R813-M815 PolarHBondContact O-N 2.86Å; M815-R818 PolarHBondContact O-N 3.02Å; M815-G819 PolarHBondContact O-N 3.32Å; M815-Y820 PolarHBondContact O-N 3.25Å; M815-A824 HydrophobicContact CB-CB 3.84Å; M815-L827 HydrophobicContact CG-CD1 4.18Å
816	E	90.4	Very high	90.4	Very high	62 Å²	62	53 Å²	53	29%	0.29	26%	0.259	S	S	.	.	H	α-helix	trans	-65.1	-47	176.1	-173.2	-171.1	-155.6	0	0	111	A812 R813 Y814 R818 G819 A824 W852 L856	A812-E816 PolarHBondContact O-N 3.05Å; R813-E816 PolarHBondContact O-N 3.33Å; Y814-E816 PolarHBondContact O-N 3.38Å; E816-R818 PolarHBondContact O-N 3.34Å; E816-G819 PolarHBondContact O-N 3.49Å; E816-A824 HydrophobicContact CB-CB 3.96Å; E816-W852 HydrophobicContact CB-CZ2 4.15Å; E816-W852 WeakPolarHBondContact OE2-CZ2 3.35Å; E816-W852 PolarHBondContact OE2-NE1 2.71Å; E816-L856 HydrophobicContact CG-CD1 4.3Å
817	H	89.3	Confident	90.5	Very high	160 Å²	160	50 Å²	50	74%	0.741	24%	0.241	S	C	*	.	H	α-helix	trans	-60.4	-28.4	178.1	-82.2	-65.6	0	0	0	113.5	R813 Y814 G819	R813-H817 PolarHBondContact O-CD2 3.29Å; R813-H817 PolarHBondContact O-N 3.17Å; Y814-H817 PolarHBondContact O-N 2.82Å; H817-G819 VanDerWaalsContact C-N 3.31Å
818	R	86.3	Confident	90.5	Very high	117 Å²	117	47.3 Å²	47.3	44%	0.442	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.6	175.8	-63.5	-59.7	-176.9	160.8	-3.1	114.1	E782 Y814 M815 E816 Y820	E782-R818 VanDerWaalsContact CD-NH1 3.26Å; E782-R818 VanDerWaalsContact OE1-CD 3.3Å; E782-R818 WeakPolarHBondContact OE1-CD 3.36Å; E782-R818 IonicContact OE1-CZ 3.59Å; E782-R818 VanDerWaalsContact OE1-CZ 3.27Å; E782-R818 IonicContact OE1-NE 3.13Å; E782-R818 PolarHBondContact OE1-NE 3.04Å; E782-R818 IonicContact OE1-NH1 3.88Å; E782-R818 PolarHBondContact OE1-NH1 3.14Å; E782-R818 IonicContact OE2-CZ 3.26Å; E782-R818 IonicContact OE2-NE 2.97Å; E782-R818 IonicContact OE2-NH1 3.94Å; E782-R818 PolarHBondContact OE2-NH1 3.16Å; E782-R818 IonicContact OE2-NH2 2.98Å; E782-R818 PolarHBondContact OE2-NH2 2.97Å; Y814-R818 HydrophobicContact CD2-CG 4.42Å; Y814-R818 HydrophobicContact CE1-CG 4.11Å; Y814-R818 HydrophobicContact CE2-CG 3.97Å; Y814-R818 WeakPolarHBondContact O-CG 3.47Å; Y814-R818 PolarHBondContact O-N 3.32Å; Y814-R818 VanDerWaalsContact O-N 3.13Å; M815-R818 PolarHBondContact O-N 3.02Å; E816-R818 PolarHBondContact O-N 3.34Å; R818-Y820 HydrophobicContact CB-CD2 4.05Å; R818-Y820 HydrophobicContact CB-CE2 4.24Å
819	G	87.2	Confident	90.5	Very high	55 Å²	55	48.6 Å²	48.6	57%	0.567	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.4	18.6	175.5	0	0	0	0	0	115.1	M815 E816 H817 P821	M815-G819 PolarHBondContact O-N 3.32Å; E816-G819 PolarHBondContact O-N 3.49Å; H817-G819 VanDerWaalsContact C-N 3.31Å; G819-P821 WeakPolarHBondContact O-CD 3.32Å
820	Y	89.8	Confident	90.3	Very high	92 Å²	92	51.4 Å²	51.4	36%	0.361	25%	0.251	S	S	.	.			trans	-111.7	65.4	177.9	-58	-73.5	0	0	0	112.6	F788 M815 R818 M822 R823 A824	F788-Y820 HydrophobicContact CE1-CD2 4.41Å; F788-Y820 HydrophobicContact CE1-CE2 4.11Å; F788-Y820 HydrophobicContact CZ-CD2 4.35Å; F788-Y820 HydrophobicContact CZ-CE2 4.14Å; M815-Y820 PolarHBondContact O-N 3.25Å; R818-Y820 HydrophobicContact CB-CD2 4.05Å; R818-Y820 HydrophobicContact CB-CE2 4.24Å; Y820-M822 PolarHBondContact O-N 2.88Å; Y820-R823 PolarHBondContact O-N 3Å; Y820-R823 VanDerWaalsContact O-N 3.1Å; Y820-A824 PolarHBondContact O-N 2.9Å
821	P	88.4	Confident	90.2	Very high	51 Å²	51	48.4 Å²	48.4	33%	0.331	23%	0.233	S	C	.	.	H	α-helix	trans	-66.8	-33.7	-169.8	29.9	-38	0	0	0	113	G819 R823 A824 Y825 L856 L860	G819-P821 WeakPolarHBondContact O-CD 3.32Å; P821-R823 VanDerWaalsContact C-N 3.32Å; P821-R823 PolarHBondContact O-N 2.56Å; P821-A824 PolarHBondContact O-N 3.28Å; P821-Y825 WeakPolarHBondContact O-CB 3.38Å; P821-Y825 PolarHBondContact O-N 3.15Å; P821-L856 HydrophobicContact CB-CD1 4.06Å; P821-L860 HydrophobicContact CB-CD2 3.83Å; P821-L860 HydrophobicContact CG-CD2 4.08Å
822	M	88.3	Confident	90	Very high	95 Å²	95	48.4 Å²	48.4	47%	0.468	23%	0.233	S	C	.	.	H	α-helix	trans	-66.6	-31.7	175.2	-73.1	-62	-173.6	0	0	113	Y820 K826 L860	Y820-M822 PolarHBondContact O-N 2.88Å; M822-K826 WeakPolarHBondContact O-CG 3.27Å; M822-K826 PolarHBondContact O-N 3.39Å; M822-L860 HydrophobicContact CE-CB 4.34Å; M822-L860 HydrophobicContact CE-CD2 3.82Å; M822-L860 HydrophobicContact CG-CD2 4.22Å; M822-L860 HydrophobicContact SD-CD1 3.88Å; M822-L860 HydrophobicContact SD-CD2 3.78Å; M822-L860 HydrophobicContact SD-CG 4.29Å
823	R	90.4	Very high	89.7	Confident	55 Å²	55	50.9 Å²	50.9	21%	0.208	25%	0.253	C	S	.	.	H	α-helix	trans	-77.3	-40.4	177.1	-64.9	-174	-168.6	-169.1	0.6	111.5	E789 Y792 Y820 P821 Y825 K826 L827	E789-R823 VanDerWaalsContact CD-NH1 3.32Å; E789-R823 IonicContact OE1-CZ 2.76Å; E789-R823 IonicContact OE1-NH1 3.96Å; E789-R823 PolarHBondContact OE1-NH1 2.59Å; E789-R823 IonicContact OE1-NH2 3.54Å; E789-R823 PolarHBondContact OE1-NH2 3.47Å; E789-R823 IonicContact OE2-CZ 3.73Å; E789-R823 IonicContact OE2-NH1 2.7Å; E789-R823 PolarHBondContact OE2-NH1 3.38Å; E789-R823 IonicContact OE2-NH2 3.77Å; Y792-R823 HydrophobicContact CE1-CB 4.4Å; Y792-R823 HydrophobicContact CE1-CG 4.22Å; Y792-R823 HydrophobicContact CE2-CB 3.79Å; Y792-R823 HydrophobicContact CE2-CG 4.41Å; Y792-R823 VanDerWaalsContact OH-CA 3.32Å; Y792-R823 WeakPolarHBondContact OH-CA 3.25Å; Y792-R823 WeakPolarHBondContact OH-CB 3.43Å; Y792-R823 PolarHBondContact OH-O 3.15Å; Y820-R823 PolarHBondContact O-N 3Å; Y820-R823 VanDerWaalsContact O-N 3.1Å; P821-R823 VanDerWaalsContact C-N 3.32Å; P821-R823 PolarHBondContact O-N 2.56Å; R823-Y825 VanDerWaalsContact C-N 3.29Å; R823-Y825 PolarHBondContact O-N 3.39Å; R823-K826 PolarHBondContact O-N 3.44Å; R823-L827 PolarHBondContact O-N 2.87Å
824	A	91.3	Very high	89.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.6	-45.4	171.3	0	0	0	0	0	111.1	A812 M815 E816 Y820 P821 K826 L827 A828 L856	A812-A824 WeakPolarHBondContact O-CB 3.29Å; M815-A824 HydrophobicContact CB-CB 3.84Å; E816-A824 HydrophobicContact CB-CB 3.96Å; Y820-A824 PolarHBondContact O-N 2.9Å; P821-A824 PolarHBondContact O-N 3.28Å; A824-K826 PolarHBondContact O-N 3.41Å; A824-L827 PolarHBondContact O-N 3.17Å; A824-A828 WeakPolarHBondContact O-CB 3.49Å; A824-A828 PolarHBondContact O-N 3.39Å; A824-L856 HydrophobicContact CB-CD2 3.86Å
825	Y	92.1	Very high	89.1	Confident	15 Å²	15	49.8 Å²	49.8	6%	0.059	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-45.6	177.9	169.2	-95.6	0	0	0	113.2	P821 R823 L827 A828 T829 S857 L860 E864 V868	P821-Y825 WeakPolarHBondContact O-CB 3.38Å; P821-Y825 PolarHBondContact O-N 3.15Å; R823-Y825 VanDerWaalsContact C-N 3.29Å; R823-Y825 PolarHBondContact O-N 3.39Å; Y825-L827 VanDerWaalsContact C-N 3.3Å; Y825-L827 PolarHBondContact O-N 3.42Å; Y825-A828 PolarHBondContact O-N 3.08Å; Y825-T829 HydrophobicContact CD2-CG2 4.26Å; Y825-T829 HydrophobicContact CE1-CG2 4.07Å; Y825-T829 HydrophobicContact CE2-CG2 3.81Å; Y825-T829 WeakPolarHBondContact O-CG2 3.29Å; Y825-T829 PolarHBondContact O-N 2.9Å; Y825-T829 PolarHBondContact O-OG1 2.86Å; Y825-T829 VanDerWaalsContact O-OG1 3.11Å; Y825-S857 WeakPolarHBondContact CE2-OG 3.24Å; Y825-L860 HydrophobicContact CD1-CD1 4.48Å; Y825-L860 HydrophobicContact CD2-CD1 3.95Å; Y825-L860 HydrophobicContact CG-CD1 3.69Å; Y825-E864 HydrophobicContact CD2-CB 4.44Å; Y825-E864 HydrophobicContact CE1-CB 4.25Å; Y825-E864 HydrophobicContact CE1-CG 4.28Å; Y825-E864 WeakPolarHBondContact CE1-OE2 3.42Å; Y825-E864 HydrophobicContact CE2-CB 3.74Å; Y825-E864 WeakPolarHBondContact OH-CA 3.42Å; Y825-E864 PolarHBondContact OH-O 3.1Å; Y825-E864 PolarHBondContact OH-OE2 3.02Å; Y825-V868 HydrophobicContact CD2-CG2 4.37Å; Y825-V868 HydrophobicContact CE2-CG2 3.31Å; Y825-V868 WeakPolarHBondContact OH-CG2 3.49Å
826	K	90.6	Very high	89	Confident	120 Å²	120	55 Å²	55	52%	0.522	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-41	174.9	-72.6	-179.9	-179.2	-175.9	0	112.5	M822 R823 A824 T829 L830	M822-K826 WeakPolarHBondContact O-CG 3.27Å; M822-K826 PolarHBondContact O-N 3.39Å; R823-K826 PolarHBondContact O-N 3.44Å; A824-K826 PolarHBondContact O-N 3.41Å; K826-T829 PolarHBondContact O-OG1 2.94Å; K826-L830 WeakPolarHBondContact O-CG 3.38Å; K826-L830 PolarHBondContact O-N 2.7Å
827	L	91.3	Very high	88.8	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.4	-40.2	176.5	-68.2	178.3	0	0	0	112.5	Y792 V795 L796 L808 I811 A812 M815 R823 A824 Y825 T829 L830 A831	Y792-L827 HydrophobicContact CD2-CD1 4.38Å; Y792-L827 HydrophobicContact CE2-CD1 3.75Å; Y792-L827 HydrophobicContact CE2-CD2 4.32Å; Y792-L827 HydrophobicContact CE2-CG 3.92Å; V795-L827 HydrophobicContact CB-CD2 4.47Å; V795-L827 HydrophobicContact CG1-CD1 4.21Å; V795-L827 HydrophobicContact CG1-CD2 3.53Å; L796-L827 HydrophobicContact CD2-CD2 3.71Å; L796-L827 HydrophobicContact CG-CD2 4.43Å; L808-L827 HydrophobicContact CD2-CD2 4.47Å; I811-L827 HydrophobicContact CB-CD1 4.4Å; I811-L827 HydrophobicContact CG2-CD1 3.69Å; A812-L827 HydrophobicContact CB-CB 3.81Å; M815-L827 HydrophobicContact CG-CD1 4.18Å; R823-L827 PolarHBondContact O-N 2.87Å; A824-L827 PolarHBondContact O-N 3.17Å; Y825-L827 VanDerWaalsContact C-N 3.3Å; Y825-L827 PolarHBondContact O-N 3.42Å; L827-T829 VanDerWaalsContact C-N 3.33Å; L827-T829 PolarHBondContact O-N 3.42Å; L827-L830 PolarHBondContact O-N 3.17Å; L827-A831 WeakPolarHBondContact O-CB 3.43Å; L827-A831 PolarHBondContact O-N 2.87Å
828	A	91.2	Very high	88.5	Confident	3 Å²	3	46.7 Å²	46.7	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-39.9	177.5	0	0	0	0	0	111.5	F809 A812 A824 Y825 A831 M832 W852 A853	F809-A828 HydrophobicContact CE1-CB 4.33Å; A812-A828 HydrophobicContact CB-CB 4.36Å; A824-A828 WeakPolarHBondContact O-CB 3.49Å; A824-A828 PolarHBondContact O-N 3.39Å; Y825-A828 PolarHBondContact O-N 3.08Å; A828-A831 WeakPolarHBondContact O-CB 3.48Å; A828-A831 PolarHBondContact O-N 3.08Å; A828-M832 WeakPolarHBondContact O-CB 3.46Å; A828-M832 WeakPolarHBondContact O-CG 3.32Å; A828-M832 PolarHBondContact O-N 3.27Å; A828-W852 HydrophobicContact CB-CH2 4.47Å; A828-W852 HydrophobicContact CB-CZ3 4Å; A828-A853 HydrophobicContact CB-CB 4.06Å
829	T	90.3	Very high	88.1	Confident	26 Å²	26	45 Å²	45	16%	0.16	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-39.4	176.5	50.4	0	0	0	0	112.9	Y825 K826 L827 M832 A833 V868 L871	Y825-T829 HydrophobicContact CD2-CG2 4.26Å; Y825-T829 HydrophobicContact CE1-CG2 4.07Å; Y825-T829 HydrophobicContact CE2-CG2 3.81Å; Y825-T829 WeakPolarHBondContact O-CG2 3.29Å; Y825-T829 PolarHBondContact O-N 2.9Å; Y825-T829 PolarHBondContact O-OG1 2.86Å; Y825-T829 VanDerWaalsContact O-OG1 3.11Å; K826-T829 PolarHBondContact O-OG1 2.94Å; L827-T829 VanDerWaalsContact C-N 3.33Å; L827-T829 PolarHBondContact O-N 3.42Å; T829-M832 PolarHBondContact O-N 3.15Å; T829-A833 PolarHBondContact O-N 3.39Å; T829-A833 VanDerWaalsContact O-N 3.1Å; T829-V868 HydrophobicContact CG2-CG2 3.46Å; T829-V868 VanDerWaalsContact CG2-CG2 3.46Å; T829-L871 HydrophobicContact CG2-CD1 4.41Å
830	L	89.7	Confident	87.3	Confident	59 Å²	59	46.7 Å²	46.7	31%	0.309	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-42.1	172.2	-67.1	170.6	0	0	0	111.7	L796 A799 K826 L827 M832 A833 H834	L796-L830 HydrophobicContact CD2-CD1 3.79Å; A799-L830 HydrophobicContact CB-CB 4.28Å; A799-L830 HydrophobicContact CB-CD1 3.87Å; K826-L830 WeakPolarHBondContact O-CG 3.38Å; K826-L830 PolarHBondContact O-N 2.7Å; L827-L830 PolarHBondContact O-N 3.17Å; L830-M832 VanDerWaalsContact C-N 3.32Å; L830-M832 PolarHBondContact O-N 3.43Å; L830-A833 WeakPolarHBondContact O-CB 3.43Å; L830-A833 PolarHBondContact O-N 2.75Å; L830-H834 PolarHBondContact O-N 3.26Å
831	A	89.8	Confident	86.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-42.7	174.8	0	0	0	0	0	112	Y805 L808 F809 L827 A828 A833 H834 L835	Y805-A831 WeakPolarHBondContact CB-O 3.26Å; L808-A831 HydrophobicContact CB-CB 3.59Å; L808-A831 HydrophobicContact CD1-CB 4.21Å; F809-A831 HydrophobicContact CD1-CB 4.01Å; F809-A831 HydrophobicContact CD2-CB 3.89Å; F809-A831 HydrophobicContact CE1-CB 3.82Å; F809-A831 HydrophobicContact CE2-CB 3.69Å; F809-A831 HydrophobicContact CG-CB 4.02Å; F809-A831 HydrophobicContact CZ-CB 3.65Å; L827-A831 WeakPolarHBondContact O-CB 3.43Å; L827-A831 PolarHBondContact O-N 2.87Å; A828-A831 WeakPolarHBondContact O-CB 3.48Å; A828-A831 PolarHBondContact O-N 3.08Å; A831-A833 VanDerWaalsContact C-N 3.31Å; A831-A833 PolarHBondContact O-N 3.14Å; A831-H834 PolarHBondContact O-N 2.77Å; A831-H834 VanDerWaalsContact O-N 3.13Å; A831-L835 PolarHBondContact O-N 3.18Å; A831-L835 VanDerWaalsContact O-N 3.15Å
832	M	87.4	Confident	86	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-36.7	176.2	-74.2	-64.5	-61	0	0	112.3	F809 A828 T829 L830 H834 L835 V850 L871 V872 S875	F809-M832 HydrophobicContact CE1-CG 4.36Å; F809-M832 HydrophobicContact CE1-SD 4.37Å; F809-M832 HydrophobicContact CZ-CG 3.96Å; F809-M832 HydrophobicContact CZ-SD 3.68Å; A828-M832 WeakPolarHBondContact O-CB 3.46Å; A828-M832 WeakPolarHBondContact O-CG 3.32Å; A828-M832 PolarHBondContact O-N 3.27Å; T829-M832 PolarHBondContact O-N 3.15Å; L830-M832 VanDerWaalsContact C-N 3.32Å; L830-M832 PolarHBondContact O-N 3.43Å; M832-H834 PolarHBondContact O-N 3.2Å; M832-L835 PolarHBondContact O-N 2.99Å; M832-L835 HydrophobicContact SD-CD2 4.28Å; M832-V850 HydrophobicContact CE-CG1 3.8Å; M832-V850 HydrophobicContact CE-CG2 4.16Å; M832-V850 HydrophobicContact SD-CB 4.17Å; M832-V850 HydrophobicContact SD-CG1 4.06Å; M832-V850 HydrophobicContact SD-CG2 3.72Å; M832-L871 HydrophobicContact CB-CB 4.4Å; M832-V872 HydrophobicContact CE-CB 4.18Å; M832-V872 HydrophobicContact CE-CG2 3.55Å; M832-S875 VanDerWaalsContact CE-OG 3.22Å; M832-S875 WeakPolarHBondContact CE-OG 3.42Å; M832-S875 WeakPolarHBondContact O-CB 3.48Å
833	A	85.9	Confident	85.6	Confident	52 Å²	52	48.3 Å²	48.3	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-26.5	176.2	0	0	0	0	0	112.9	T829 L830 A831 L871	T829-A833 PolarHBondContact O-N 3.39Å; T829-A833 VanDerWaalsContact O-N 3.1Å; L830-A833 WeakPolarHBondContact O-CB 3.43Å; L830-A833 PolarHBondContact O-N 2.75Å; A831-A833 VanDerWaalsContact C-N 3.31Å; A831-A833 PolarHBondContact O-N 3.14Å; A833-L871 HydrophobicContact CB-CD2 4.48Å
834	H	84.3	Confident	85.2	Confident	75 Å²	75	47.6 Å²	47.6	35%	0.347	25%	0.253	S	S	.	.	H	α-helix	trans	-93.8	-8.6	-179.7	-69.7	-158.4	0	0	0	113.2	A799 M803 L830 A831 M832	A799-H834 PolarHBondContact O-CE1 2.96Å; A799-H834 PolarHBondContact O-NE2 3.22Å; M803-H834 PolarHBondContact O-ND1 2.93Å; L830-H834 PolarHBondContact O-N 3.26Å; A831-H834 PolarHBondContact O-N 2.77Å; A831-H834 VanDerWaalsContact O-N 3.13Å; M832-H834 PolarHBondContact O-N 3.2Å
835	L	86.8	Confident	84.8	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.037	28%	0.284	C	S	.	.			trans	-86.9	140.2	-179.6	-178.5	68.6	0	0	0	111.3	Y805 A831 M832 L837 A846 V850 S875	Y805-L835 HydrophobicContact CD1-CD1 4.24Å; Y805-L835 HydrophobicContact CD2-CD1 3.72Å; Y805-L835 HydrophobicContact CE1-CD1 4.17Å; Y805-L835 HydrophobicContact CE2-CD1 3.64Å; Y805-L835 HydrophobicContact CG-CB 4.48Å; Y805-L835 HydrophobicContact CG-CD1 4.04Å; A831-L835 PolarHBondContact O-N 3.18Å; A831-L835 VanDerWaalsContact O-N 3.15Å; M832-L835 PolarHBondContact O-N 2.99Å; M832-L835 HydrophobicContact SD-CD2 4.28Å; L835-L837 HydrophobicContact CD1-CG 4.28Å; L835-L837 HydrophobicContact CD2-CD1 4.11Å; L835-L837 HydrophobicContact CD2-CG 4.25Å; L835-L837 HydrophobicContact CG-CG 4.25Å; L835-A846 HydrophobicContact CD1-CB 3.75Å; L835-A846 HydrophobicContact CD2-CB 4.34Å; L835-V850 HydrophobicContact CD2-CG2 3.25Å; L835-S875 WeakPolarHBondContact O-CA 3.39Å; L835-S875 WeakPolarHBondContact O-CB 3.17Å
836	N	87.5	Confident	84.5	Confident	109 Å²	109	51.6 Å²	51.6	58%	0.583	28%	0.281	S	S	*	.			trans	-140.3	102.5	171	-172.7	9.7	0	0	0	110.5	S875	N836-S875 CarbonylContact C-O 3.6Å; N836-S875 WeakPolarHBondContact CA-O 3.3Å
837	L	86.1	Confident	84.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-95.4	116.3	174.7	-71.4	173	0	0	0	109.7	L835 H844 I847 V850 S875 V876 K877	L835-L837 HydrophobicContact CD1-CG 4.28Å; L835-L837 HydrophobicContact CD2-CD1 4.11Å; L835-L837 HydrophobicContact CD2-CG 4.25Å; L835-L837 HydrophobicContact CG-CG 4.25Å; L837-H844 HydrophobicContact CD2-CB 3.6Å; L837-H844 WeakPolarHBondContact CD2-ND1 3.2Å; L837-I847 HydrophobicContact CD1-CG1 4.18Å; L837-V850 HydrophobicContact CD1-CG2 4.25Å; L837-S875 PolarHBondContact N-O 3.46Å; L837-V876 HydrophobicContact CB-CG1 4.28Å; L837-V876 HydrophobicContact CD1-CG1 4.27Å; L837-V876 HydrophobicContact CD1-CG2 4.01Å; L837-K877 WeakPolarHBondContact O-CB 3.47Å; L837-K877 PolarHBondContact O-N 3.4Å
838	S	83.8	Confident	84.2	Confident	49 Å²	49	52 Å²	52	34%	0.343	29%	0.288	S	S	.	.			trans	-80.1	171.7	-179.9	65.1	0	0	0	0	113	N840 Q841	S838-N840 PolarHBondContact O-N 3Å; S838-N840 VanDerWaalsContact O-N 3.1Å; S838-Q841 PolarHBondContact O-N 3.29Å; S838-Q841 WeakPolarHBondContact OG-CG 3.4Å; S838-Q841 PolarHBondContact OG-OE1 3.2Å
839	Y	77	Confident	84.1	Confident	80 Å²	80	52.8 Å²	52.8	31%	0.314	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.7	-169.9	-58.9	-82.8	0	0	0	115.4	K877 N930	Y839-K877 HydrophobicContact CD1-CB 3.87Å; Y839-K877 VanDerWaalsContact CD1-O 3.26Å; Y839-K877 WeakPolarHBondContact CD1-O 3.4Å; Y839-K877 HydrophobicContact CD2-CB 4.47Å; Y839-K877 HydrophobicContact CE1-CB 3.76Å; Y839-K877 HydrophobicContact CE1-CD 4.45Å; Y839-K877 HydrophobicContact CE2-CB 4.35Å; Y839-K877 HydrophobicContact CE2-CD 3.94Å; Y839-K877 HydrophobicContact CG-CB 4.23Å; Y839-N930 HydrophobicContact CD1-CB 4.4Å; Y839-N930 HydrophobicContact CE1-CB 3.81Å
840	N	71.6	Confident	84	Confident	92 Å²	92	51.6 Å²	51.6	49%	0.492	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	24.3	-172.2	-65	-29	0	0	0	114.1	S838	S838-N840 PolarHBondContact O-N 3Å; S838-N840 VanDerWaalsContact O-N 3.1Å
841	Q	77.1	Confident	83.9	Confident	67 Å²	67	49.4 Å²	49.4	31%	0.313	27%	0.274	S	S	.	.			trans	-110.5	58.2	-177.2	-77.4	178.8	-33.9	0	0	111.5	S838 T843 H844 I847	S838-Q841 PolarHBondContact O-N 3.29Å; S838-Q841 WeakPolarHBondContact OG-CG 3.4Å; S838-Q841 PolarHBondContact OG-OE1 3.2Å; Q841-T843 VanDerWaalsContact C-N 3.28Å; Q841-T843 PolarHBondContact O-N 2.99Å; Q841-H844 HydrophobicContact CB-CB 4.13Å; Q841-I847 WeakPolarHBondContact O-CD1 3.42Å
842	D	74.3	Confident	84	Confident	76 Å²	76	51.3 Å²	51.3	41%	0.406	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-9	-178.5	57.7	-9.8	0	0	0	114.4	I847	D842-I847 VanDerWaalsContact C-CD1 3.43Å; D842-I847 WeakPolarHBondContact O-CD1 3.28Å
843	T	79.8	Confident	84.1	Confident	128 Å²	128	51.3 Å²	51.3	79%	0.785	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	11.1	177.3	49.9	0	0	0	0	113.4	Q841	Q841-T843 VanDerWaalsContact C-N 3.28Å; Q841-T843 PolarHBondContact O-N 2.99Å
844	H	82.1	Confident	84.1	Confident	41 Å²	41	49.2 Å²	49.2	19%	0.19	26%	0.263	C	S	.	.			trans	-67.4	134.5	-175.7	-168.2	-78.8	0	0	0	112	Y805 L837 Q841 A846 I847	Y805-H844 PolarHBondContact OH-CE1 3.04Å; L837-H844 HydrophobicContact CD2-CB 3.6Å; L837-H844 WeakPolarHBondContact CD2-ND1 3.2Å; Q841-H844 HydrophobicContact CB-CB 4.13Å; H844-A846 WeakPolarHBondContact ND1-CB 3.5Å; H844-A846 PolarHBondContact ND1-N 2.69Å; H844-A846 VanDerWaalsContact ND1-N 3.13Å; H844-A846 PolarHBondContact O-N 3.31Å; H844-A846 VanDerWaalsContact O-N 3.14Å; H844-I847 HydrophobicContact CB-CD1 4.26Å; H844-I847 HydrophobicContact CB-CG1 4.31Å; H844-I847 WeakPolarHBondContact O-CB 3.41Å; H844-I847 WeakPolarHBondContact O-CD1 3.4Å; H844-I847 VanDerWaalsContact O-CG1 3.23Å; H844-I847 WeakPolarHBondContact O-CG1 3.48Å; H844-I847 PolarHBondContact O-N 3.14Å
845	P	82.6	Confident	84.2	Confident	98 Å²	98	47.9 Å²	47.9	64%	0.636	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.3	-175.4	20	-32.2	0	0	0	113.7	I847 N848	P845-I847 PolarHBondContact O-N 2.93Å; P845-I847 VanDerWaalsContact O-N 3.13Å; P845-N848 PolarHBondContact O-N 3.31Å
846	A	86	Confident	84.3	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-15.5	176.8	0	0	0	0	0	114.7	Y805 L835 H844 N848 D849 V850	Y805-A846 HydrophobicContact CD2-CB 4.5Å; Y805-A846 HydrophobicContact CE2-CB 3.89Å; L835-A846 HydrophobicContact CD1-CB 3.75Å; L835-A846 HydrophobicContact CD2-CB 4.34Å; H844-A846 WeakPolarHBondContact ND1-CB 3.5Å; H844-A846 PolarHBondContact ND1-N 2.69Å; H844-A846 VanDerWaalsContact ND1-N 3.13Å; H844-A846 PolarHBondContact O-N 3.31Å; H844-A846 VanDerWaalsContact O-N 3.14Å; A846-N848 VanDerWaalsContact C-N 3.26Å; A846-N848 PolarHBondContact O-N 2.8Å; A846-D849 WeakPolarHBondContact O-CB 3.3Å; A846-D849 PolarHBondContact O-N 3.04Å; A846-V850 WeakPolarHBondContact O-CG2 3.11Å; A846-V850 PolarHBondContact O-N 3.28Å
847	I	87.3	Confident	84.3	Confident	18 Å²	18	42.5 Å²	42.5	9%	0.092	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-42.3	178	-67.7	166.7	0	0	0	110.6	L837 Q841 D842 H844 P845 D849 V850 L851 V881	L837-I847 HydrophobicContact CD1-CG1 4.18Å; Q841-I847 WeakPolarHBondContact O-CD1 3.42Å; D842-I847 VanDerWaalsContact C-CD1 3.43Å; D842-I847 WeakPolarHBondContact O-CD1 3.28Å; H844-I847 HydrophobicContact CB-CD1 4.26Å; H844-I847 HydrophobicContact CB-CG1 4.31Å; H844-I847 WeakPolarHBondContact O-CB 3.41Å; H844-I847 WeakPolarHBondContact O-CD1 3.4Å; H844-I847 VanDerWaalsContact O-CG1 3.23Å; H844-I847 WeakPolarHBondContact O-CG1 3.48Å; H844-I847 PolarHBondContact O-N 3.14Å; P845-I847 PolarHBondContact O-N 2.93Å; P845-I847 VanDerWaalsContact O-N 3.13Å; I847-D849 PolarHBondContact O-N 3.24Å; I847-V850 PolarHBondContact O-N 3.49Å; I847-L851 HydrophobicContact CG2-CD1 3.78Å; I847-L851 HydrophobicContact CG2-CG 4.26Å; I847-L851 WeakPolarHBondContact O-CB 3.42Å; I847-L851 VanDerWaalsContact O-CG 3.26Å; I847-L851 WeakPolarHBondContact O-CG 3.39Å; I847-L851 PolarHBondContact O-N 2.83Å; I847-V881 HydrophobicContact CD1-CG2 3.66Å; I847-V881 HydrophobicContact CG1-CG1 4.28Å; I847-V881 HydrophobicContact CG1-CG2 3.92Å; I847-V881 HydrophobicContact CG2-CG1 3.99Å; I847-V881 HydrophobicContact CG2-CG2 4.28Å
848	N	87.9	Confident	84.1	Confident	109 Å²	109	44.6 Å²	44.6	58%	0.583	25%	0.246	S	C	*	.	H	α-helix	trans	-63.9	-33.9	177.4	-71	-44.5	0	0	0	111.9	R813 P845 A846 W852	R813-N848 PolarHBondContact NH2-O 2.94Å; P845-N848 PolarHBondContact O-N 3.31Å; A846-N848 VanDerWaalsContact C-N 3.26Å; A846-N848 PolarHBondContact O-N 2.8Å; N848-W852 WeakPolarHBondContact O-CB 3.28Å; N848-W852 PolarHBondContact O-N 3.42Å
849	D	89.1	Confident	84.1	Confident	21 Å²	21	45.9 Å²	45.9	11%	0.112	26%	0.255	C	S	.	.	H	α-helix	trans	-70.8	-40.6	177.7	-55.4	-28.6	0	0	0	111.4	F809 R813 A846 I847 W852 A853	F809-D849 HydrophobicContact CB-CB 4.11Å; F809-D849 HydrophobicContact CD1-CB 3.87Å; F809-D849 HydrophobicContact CD2-CB 3.63Å; F809-D849 HydrophobicContact CE1-CB 4.16Å; F809-D849 HydrophobicContact CE2-CB 3.94Å; F809-D849 HydrophobicContact CG-CB 3.61Å; F809-D849 HydrophobicContact CZ-CB 4.2Å; R813-D849 IonicContact CZ-OD1 3.86Å; R813-D849 IonicContact NH1-OD1 3.83Å; R813-D849 PolarHBondContact NH1-OD1 3Å; R813-D849 IonicContact NH2-OD1 3.06Å; R813-D849 PolarHBondContact NH2-OD1 2.95Å; A846-D849 WeakPolarHBondContact O-CB 3.3Å; A846-D849 PolarHBondContact O-N 3.04Å; I847-D849 PolarHBondContact O-N 3.24Å; D849-W852 PolarHBondContact O-N 2.89Å; D849-A853 WeakPolarHBondContact O-CB 3.32Å; D849-A853 PolarHBondContact O-N 3.19Å
850	V	88.3	Confident	84.5	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-47.9	173.8	178.5	0	0	0	0	111.1	M832 L835 L837 A846 I847 W852 A853 C854 V876 I885	M832-V850 HydrophobicContact CE-CG1 3.8Å; M832-V850 HydrophobicContact CE-CG2 4.16Å; M832-V850 HydrophobicContact SD-CB 4.17Å; M832-V850 HydrophobicContact SD-CG1 4.06Å; M832-V850 HydrophobicContact SD-CG2 3.72Å; L835-V850 HydrophobicContact CD2-CG2 3.25Å; L837-V850 HydrophobicContact CD1-CG2 4.25Å; A846-V850 WeakPolarHBondContact O-CG2 3.11Å; A846-V850 PolarHBondContact O-N 3.28Å; I847-V850 PolarHBondContact O-N 3.49Å; V850-W852 VanDerWaalsContact C-N 3.29Å; V850-W852 PolarHBondContact O-N 3.41Å; V850-A853 PolarHBondContact O-N 2.87Å; V850-C854 PolarHBondContact O-N 2.99Å; V850-C854 PolarHBondContact O-SG 3.09Å; V850-C854 VanDerWaalsContact O-SG 3.35Å; V850-V876 HydrophobicContact CG1-CG2 4.25Å; V850-V876 HydrophobicContact CG2-CG2 4.44Å; V850-I885 HydrophobicContact CG1-CD1 3.58Å; V850-I885 HydrophobicContact CG1-CG1 4.49Å
851	L	87.8	Confident	85	Confident	13 Å²	13	41 Å²	41	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-42.7	178.9	-71.5	168.9	0	0	0	111.1	I847 A855 I885	I847-L851 HydrophobicContact CG2-CD1 3.78Å; I847-L851 HydrophobicContact CG2-CG 4.26Å; I847-L851 WeakPolarHBondContact O-CB 3.42Å; I847-L851 VanDerWaalsContact O-CG 3.26Å; I847-L851 WeakPolarHBondContact O-CG 3.39Å; I847-L851 PolarHBondContact O-N 2.83Å; L851-A855 WeakPolarHBondContact O-CB 3.48Å; L851-A855 PolarHBondContact O-N 3.5Å; L851-I885 HydrophobicContact CD2-CG1 3.62Å
852	W	91.1	Very high	85	Confident	40 Å²	40	43.7 Å²	43.7	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-46.8	174	168.7	78	0	0	0	112	F809 A812 R813 E816 A828 N848 D849 V850 C854 A855 L856	F809-W852 HydrophobicContact CD1-CE3 4.23Å; F809-W852 AromaticContact CD1-CZ3 3.99Å; F809-W852 HydrophobicContact CD1-CZ3 3.99Å; A812-W852 HydrophobicContact CB-CH2 3.64Å; A812-W852 HydrophobicContact CB-CZ3 3.97Å; R813-W852 HydrophobicContact CB-CZ2 4.3Å; R813-W852 HydrophobicContact CG-CD2 3.94Å; R813-W852 HydrophobicContact CG-CE3 4.15Å; R813-W852 HydrophobicContact CG-CH2 3.84Å; R813-W852 HydrophobicContact CG-CZ2 3.59Å; R813-W852 HydrophobicContact CG-CZ3 4.11Å; E816-W852 HydrophobicContact CB-CZ2 4.15Å; E816-W852 WeakPolarHBondContact OE2-CZ2 3.35Å; E816-W852 PolarHBondContact OE2-NE1 2.71Å; A828-W852 HydrophobicContact CB-CH2 4.47Å; A828-W852 HydrophobicContact CB-CZ3 4Å; N848-W852 WeakPolarHBondContact O-CB 3.28Å; N848-W852 PolarHBondContact O-N 3.42Å; D849-W852 PolarHBondContact O-N 2.89Å; V850-W852 VanDerWaalsContact C-N 3.29Å; V850-W852 PolarHBondContact O-N 3.41Å; W852-C854 VanDerWaalsContact C-N 3.32Å; W852-C854 PolarHBondContact O-N 2.88Å; W852-A855 WeakPolarHBondContact O-CB 3.28Å; W852-A855 PolarHBondContact O-N 2.88Å; W852-A855 VanDerWaalsContact O-N 3.1Å; W852-L856 HydrophobicContact CH2-CD2 3.89Å; W852-L856 HydrophobicContact CZ2-CD2 3.86Å; W852-L856 PolarHBondContact O-N 2.97Å
853	A	89.4	Confident	85.3	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-39.6	178.8	0	0	0	0	0	112.3	F809 A828 D849 V850 L856 S857	F809-A853 HydrophobicContact CE1-CB 4.05Å; A828-A853 HydrophobicContact CB-CB 4.06Å; D849-A853 WeakPolarHBondContact O-CB 3.32Å; D849-A853 PolarHBondContact O-N 3.19Å; V850-A853 PolarHBondContact O-N 2.87Å; A853-L856 PolarHBondContact O-N 3.04Å; A853-S857 WeakPolarHBondContact O-CB 3.4Å; A853-S857 PolarHBondContact O-N 2.91Å; A853-S857 PolarHBondContact O-OG 3.37Å
854	C	86.8	Confident	85.5	Confident	8 Å²	8	43.4 Å²	43.4	5%	0.054	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-40.7	173.4	-68.9	0	0	0	0	112	V850 W852 S857 H858 I885	V850-C854 PolarHBondContact O-N 2.99Å; V850-C854 PolarHBondContact O-SG 3.09Å; V850-C854 VanDerWaalsContact O-SG 3.35Å; W852-C854 VanDerWaalsContact C-N 3.32Å; W852-C854 PolarHBondContact O-N 2.88Å; C854-S857 PolarHBondContact O-N 3.13Å; C854-H858 WeakPolarHBondContact O-CB 3.48Å; C854-H858 PolarHBondContact O-N 3.35Å; C854-I885 HydrophobicContact CB-CG2 4.28Å
855	A	86.6	Confident	85.5	Confident	47 Å²	47	41.5 Å²	41.5	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-65.4	-42.3	176.6	0	0	0	0	0	112.3	L851 W852 H858 S859	L851-A855 WeakPolarHBondContact O-CB 3.48Å; L851-A855 PolarHBondContact O-N 3.5Å; W852-A855 WeakPolarHBondContact O-CB 3.28Å; W852-A855 PolarHBondContact O-N 2.88Å; W852-A855 VanDerWaalsContact O-N 3.1Å; A855-H858 PolarHBondContact O-N 3.36Å; A855-S859 PolarHBondContact O-N 2.76Å
856	L	88.1	Confident	85.5	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-43.5	173	174.9	61.6	0	0	0	111.4	E816 P821 A824 W852 A853 H858 S859 L860	E816-L856 HydrophobicContact CG-CD1 4.3Å; P821-L856 HydrophobicContact CB-CD1 4.06Å; A824-L856 HydrophobicContact CB-CD2 3.86Å; W852-L856 HydrophobicContact CH2-CD2 3.89Å; W852-L856 HydrophobicContact CZ2-CD2 3.86Å; W852-L856 PolarHBondContact O-N 2.97Å; A853-L856 PolarHBondContact O-N 3.04Å; L856-H858 VanDerWaalsContact C-N 3.29Å; L856-H858 PolarHBondContact O-N 3.48Å; L856-S859 PolarHBondContact O-N 3.41Å; L856-S859 PolarHBondContact O-OG 3.17Å; L856-L860 HydrophobicContact CD1-CD1 4.24Å; L856-L860 HydrophobicContact CD1-CG 4.34Å; L856-L860 HydrophobicContact CG-CD1 4.3Å; L856-L860 WeakPolarHBondContact O-CG 3.45Å; L856-L860 PolarHBondContact O-N 3.05Å; L856-L860 VanDerWaalsContact O-N 3.1Å
857	S	86.9	Confident	85.4	Confident	2 Å²	2	41 Å²	41	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-39.1	176.8	-53.4	0	0	0	0	111.6	Y825 A853 C854 L860 G861 V868	Y825-S857 WeakPolarHBondContact CE2-OG 3.24Å; A853-S857 WeakPolarHBondContact O-CB 3.4Å; A853-S857 PolarHBondContact O-N 2.91Å; A853-S857 PolarHBondContact O-OG 3.37Å; C854-S857 PolarHBondContact O-N 3.13Å; S857-L860 PolarHBondContact O-N 3.44Å; S857-G861 PolarHBondContact O-N 3.02Å; S857-G861 VanDerWaalsContact O-O 3.13Å; S857-V868 WeakPolarHBondContact OG-CG2 3.41Å
858	H	83.2	Confident	85.4	Confident	43 Å²	43	40.2 Å²	40.2	20%	0.199	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-35.9	176.1	-173.5	-99.4	0	0	0	112.5	C854 A855 L856 L865 T893	C854-H858 WeakPolarHBondContact O-CB 3.48Å; C854-H858 PolarHBondContact O-N 3.35Å; A855-H858 PolarHBondContact O-N 3.36Å; L856-H858 VanDerWaalsContact C-N 3.29Å; L856-H858 PolarHBondContact O-N 3.48Å; H858-L865 HydrophobicContact CB-CD1 4.42Å; H858-T893 PolarHBondContact CE1-OG1 3.22Å; H858-T893 PolarHBondContact ND1-OG1 2.8Å
859	S	83.5	Confident	85.3	Confident	76 Å²	76	35.2 Å²	35.2	53%	0.531	21%	0.208	S	C	.	.	H	α-helix	trans	-72.2	-29.8	177.4	72.4	0	0	0	0	113.4	A855 L856	A855-S859 PolarHBondContact O-N 2.76Å; L856-S859 PolarHBondContact O-N 3.41Å; L856-S859 PolarHBondContact O-OG 3.17Å
860	L	84.5	Confident	85.2	Confident	40 Å²	40	36.7 Å²	36.7	21%	0.209	22%	0.219	C	C	.	.	H	α-helix	trans	-76.9	-31	177.3	-71.3	174.9	0	0	0	113.7	P821 M822 Y825 L856 S857 E864	P821-L860 HydrophobicContact CB-CD2 3.83Å; P821-L860 HydrophobicContact CG-CD2 4.08Å; M822-L860 HydrophobicContact CE-CB 4.34Å; M822-L860 HydrophobicContact CE-CD2 3.82Å; M822-L860 HydrophobicContact CG-CD2 4.22Å; M822-L860 HydrophobicContact SD-CD1 3.88Å; M822-L860 HydrophobicContact SD-CD2 3.78Å; M822-L860 HydrophobicContact SD-CG 4.29Å; Y825-L860 HydrophobicContact CD1-CD1 4.48Å; Y825-L860 HydrophobicContact CD2-CD1 3.95Å; Y825-L860 HydrophobicContact CG-CD1 3.69Å; L856-L860 HydrophobicContact CD1-CD1 4.24Å; L856-L860 HydrophobicContact CD1-CG 4.34Å; L856-L860 HydrophobicContact CG-CD1 4.3Å; L856-L860 WeakPolarHBondContact O-CG 3.45Å; L856-L860 PolarHBondContact O-N 3.05Å; L856-L860 VanDerWaalsContact O-N 3.1Å; S857-L860 PolarHBondContact O-N 3.44Å; L860-E864 HydrophobicContact CB-CB 4.32Å; L860-E864 HydrophobicContact CB-CG 4.14Å
861	G	83.2	Confident	85.1	Confident	29 Å²	29	39 Å²	39	30%	0.299	23%	0.231	S	C	.	.			trans	141.9	174	171.4	0	0	0	0	0	114.7	S857 N863 E864 L865	S857-G861 PolarHBondContact O-N 3.02Å; S857-G861 VanDerWaalsContact O-O 3.13Å; G861-N863 VanDerWaalsContact C-N 3.31Å; G861-N863 PolarHBondContact O-N 3.49Å; G861-E864 PolarHBondContact O-N 3.25Å; G861-L865 PolarHBondContact O-N 2.99Å
862	K	76.5	Confident	85.1	Confident	125 Å²	125	38.5 Å²	38.5	54%	0.543	23%	0.228	S	C	.	.	H	α-helix	trans	-63.4	-32.4	-174.4	-66.5	-177.5	176	179.3	0	114.1	A866 M910	K862-A866 WeakPolarHBondContact O-CB 3.26Å; K862-A866 PolarHBondContact O-N 3.35Å; K862-A866 VanDerWaalsContact O-N 3.08Å; K862-M910 HydrophobicContact CD-CE 3.73Å; K862-M910 HydrophobicContact CD-SD 3.88Å; K862-M910 HydrophobicContact CG-CE 4.33Å; K862-M910 HydrophobicContact CG-SD 3.87Å
863	N	80.6	Confident	84.9	Confident	138 Å²	138	38.4 Å²	38.4	74%	0.738	23%	0.232	S	C	*	.	H	α-helix	trans	-70.7	-41.8	-178.9	-64.2	-15.6	0	0	0	111.4	G861 A866 A867	G861-N863 VanDerWaalsContact C-N 3.31Å; G861-N863 PolarHBondContact O-N 3.49Å; N863-A866 WeakPolarHBondContact O-CB 3.42Å; N863-A866 PolarHBondContact O-N 3.34Å; N863-A867 PolarHBondContact O-N 3.5Å
864	E	83.4	Confident	84.7	Confident	59 Å²	59	46.1 Å²	46.1	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-69.4	-42.9	178.5	-59.6	-50.7	157.3	0	0	111.1	Y825 L860 G861 A866 A867 V868	Y825-E864 HydrophobicContact CD2-CB 4.44Å; Y825-E864 HydrophobicContact CE1-CB 4.25Å; Y825-E864 HydrophobicContact CE1-CG 4.28Å; Y825-E864 WeakPolarHBondContact CE1-OE2 3.42Å; Y825-E864 HydrophobicContact CE2-CB 3.74Å; Y825-E864 WeakPolarHBondContact OH-CA 3.42Å; Y825-E864 PolarHBondContact OH-O 3.1Å; Y825-E864 PolarHBondContact OH-OE2 3.02Å; L860-E864 HydrophobicContact CB-CB 4.32Å; L860-E864 HydrophobicContact CB-CG 4.14Å; G861-E864 PolarHBondContact O-N 3.25Å; E864-A866 VanDerWaalsContact C-N 3.25Å; E864-A866 PolarHBondContact O-N 2.85Å; E864-A867 PolarHBondContact O-N 3.14Å; E864-A867 VanDerWaalsContact O-N 3.08Å; E864-V868 WeakPolarHBondContact O-CG2 3.46Å; E864-V868 PolarHBondContact O-N 3.11Å; E864-V868 VanDerWaalsContact O-N 3.16Å
865	L	82.8	Confident	84.7	Confident	1 Å²	1	46 Å²	46	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-39.8	171.6	-174.5	67.5	0	0	0	112.6	H858 G861 A867 V868 I869	H858-L865 HydrophobicContact CB-CD1 4.42Å; G861-L865 PolarHBondContact O-N 2.99Å; L865-A867 VanDerWaalsContact C-N 3.3Å; L865-A867 PolarHBondContact O-N 3.35Å; L865-V868 PolarHBondContact O-N 3.15Å; L865-I869 HydrophobicContact CD1-CD1 4.32Å; L865-I869 HydrophobicContact CG-CD1 3.9Å; L865-I869 WeakPolarHBondContact O-CD1 3.28Å; L865-I869 WeakPolarHBondContact O-CG1 3.47Å; L865-I869 PolarHBondContact O-N 2.93Å
866	A	82.4	Confident	84.8	Confident	36 Å²	36	43.8 Å²	43.8	30%	0.298	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-30.8	177.7	0	0	0	0	0	113.6	K862 N863 E864 P870 P916	K862-A866 WeakPolarHBondContact O-CB 3.26Å; K862-A866 PolarHBondContact O-N 3.35Å; K862-A866 VanDerWaalsContact O-N 3.08Å; N863-A866 WeakPolarHBondContact O-CB 3.42Å; N863-A866 PolarHBondContact O-N 3.34Å; E864-A866 VanDerWaalsContact C-N 3.25Å; E864-A866 PolarHBondContact O-N 2.85Å; A866-P870 WeakPolarHBondContact O-CD 3.26Å; A866-P916 HydrophobicContact CB-CB 3.86Å; A866-P916 HydrophobicContact CB-CG 3.71Å
867	A	84.7	Confident	84.7	Confident	53 Å²	53	47.5 Å²	47.5	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-77.5	-30.2	176.8	0	0	0	0	0	113.1	N863 E864 L865	N863-A867 PolarHBondContact O-N 3.5Å; E864-A867 PolarHBondContact O-N 3.14Å; E864-A867 VanDerWaalsContact O-N 3.08Å; L865-A867 VanDerWaalsContact C-N 3.3Å; L865-A867 PolarHBondContact O-N 3.35Å
868	V	87.2	Confident	84.7	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-82.1	-31.4	-178.9	178.7	0	0	0	0	113.5	Y825 T829 S857 E864 L865 L871 V872	Y825-V868 HydrophobicContact CD2-CG2 4.37Å; Y825-V868 HydrophobicContact CE2-CG2 3.31Å; Y825-V868 WeakPolarHBondContact OH-CG2 3.49Å; T829-V868 HydrophobicContact CG2-CG2 3.46Å; T829-V868 VanDerWaalsContact CG2-CG2 3.46Å; S857-V868 WeakPolarHBondContact OG-CG2 3.41Å; E864-V868 WeakPolarHBondContact O-CG2 3.46Å; E864-V868 PolarHBondContact O-N 3.11Å; E864-V868 VanDerWaalsContact O-N 3.16Å; L865-V868 PolarHBondContact O-N 3.15Å; V868-L871 WeakPolarHBondContact O-CA 3.5Å; V868-L871 WeakPolarHBondContact O-CB 3.47Å; V868-L871 PolarHBondContact O-N 3.13Å; V868-V872 HydrophobicContact CG1-CG2 3.84Å; V868-V872 WeakPolarHBondContact O-CG2 3.18Å; V868-V872 PolarHBondContact O-N 3.27Å
869	I	86.4	Confident	84.8	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-55.5	-45.4	-177.5	-78.2	164.1	0	0	0	113.3	L865 L871 V872 V873 P916 L917 L920	L865-I869 HydrophobicContact CD1-CD1 4.32Å; L865-I869 HydrophobicContact CG-CD1 3.9Å; L865-I869 WeakPolarHBondContact O-CD1 3.28Å; L865-I869 WeakPolarHBondContact O-CG1 3.47Å; L865-I869 PolarHBondContact O-N 2.93Å; I869-L871 VanDerWaalsContact C-N 3.26Å; I869-L871 PolarHBondContact O-N 2.83Å; I869-V872 PolarHBondContact O-N 3.48Å; I869-V873 HydrophobicContact CG2-CG2 4.47Å; I869-V873 WeakPolarHBondContact O-CG2 3.37Å; I869-V873 PolarHBondContact O-N 3.05Å; I869-P916 HydrophobicContact CB-CB 4.25Å; I869-P916 HydrophobicContact CD1-CB 3.53Å; I869-P916 HydrophobicContact CD1-CG 3.37Å; I869-P916 HydrophobicContact CG1-CB 4.48Å; I869-P916 HydrophobicContact CG2-CB 4.35Å; I869-L917 HydrophobicContact CD1-CD2 4.09Å; I869-L920 HydrophobicContact CG2-CB 3.97Å
870	P	87.1	Confident	84.9	Confident	52 Å²	52	43.8 Å²	43.8	34%	0.338	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-35.4	174.4	-25.7	34.3	0	0	0	113.6	A866 K874	A866-P870 WeakPolarHBondContact O-CD 3.26Å; P870-K874 WeakPolarHBondContact O-CB 3.38Å; P870-K874 PolarHBondContact O-N 3.42Å; P870-K874 VanDerWaalsContact O-N 3.15Å
871	L	85.9	Confident	85	Confident	49 Å²	49	42.2 Å²	42.2	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-69.1	-44.8	176.7	-62.4	173.9	0	0	0	110.8	T829 M832 A833 V868 I869 V873 K874 S875	T829-L871 HydrophobicContact CG2-CD1 4.41Å; M832-L871 HydrophobicContact CB-CB 4.4Å; A833-L871 HydrophobicContact CB-CD2 4.48Å; V868-L871 WeakPolarHBondContact O-CA 3.5Å; V868-L871 WeakPolarHBondContact O-CB 3.47Å; V868-L871 PolarHBondContact O-N 3.13Å; I869-L871 VanDerWaalsContact C-N 3.26Å; I869-L871 PolarHBondContact O-N 2.83Å; L871-V873 VanDerWaalsContact C-N 3.35Å; L871-V873 PolarHBondContact O-N 3.4Å; L871-K874 PolarHBondContact O-N 3.47Å; L871-K874 VanDerWaalsContact O-N 3.14Å; L871-S875 WeakPolarHBondContact O-CB 3.4Å; L871-S875 PolarHBondContact O-N 3.39Å; L871-S875 PolarHBondContact O-OG 2.95Å
872	V	87.1	Confident	85.1	Confident	1 Å²	1	41 Å²	41	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-56.9	-48.3	175.8	173.8	0	0	0	0	111	M832 V868 I869 K874 S875 V876 L882 I885 L920	M832-V872 HydrophobicContact CE-CB 4.18Å; M832-V872 HydrophobicContact CE-CG2 3.55Å; V868-V872 HydrophobicContact CG1-CG2 3.84Å; V868-V872 WeakPolarHBondContact O-CG2 3.18Å; V868-V872 PolarHBondContact O-N 3.27Å; I869-V872 PolarHBondContact O-N 3.48Å; V872-K874 PolarHBondContact O-N 2.87Å; V872-S875 WeakPolarHBondContact CA-OG 3.41Å; V872-S875 PolarHBondContact O-N 3.47Å; V872-S875 PolarHBondContact O-OG 3.03Å; V872-V876 HydrophobicContact CG1-CG2 4.33Å; V872-V876 WeakPolarHBondContact O-CB 3.46Å; V872-V876 PolarHBondContact O-N 3.08Å; V872-L882 HydrophobicContact CG1-CD2 3.92Å; V872-I885 HydrophobicContact CG1-CD1 3.83Å; V872-I885 HydrophobicContact CG1-CG2 4.48Å; V872-L920 HydrophobicContact CG1-CD1 4.28Å
873	V	86.6	Confident	85.5	Confident	39 Å²	39	35.3 Å²	35.3	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-35.9	179.2	168	0	0	0	0	111.5	I869 L871 L920 A923	I869-V873 HydrophobicContact CG2-CG2 4.47Å; I869-V873 WeakPolarHBondContact O-CG2 3.37Å; I869-V873 PolarHBondContact O-N 3.05Å; L871-V873 VanDerWaalsContact C-N 3.35Å; L871-V873 PolarHBondContact O-N 3.4Å; V873-L920 HydrophobicContact CG2-CD1 3.96Å; V873-A923 HydrophobicContact CB-CB 4.18Å; V873-A923 HydrophobicContact CG1-CB 3.51Å; V873-A923 HydrophobicContact CG2-CB 3.64Å
874	K	86.4	Confident	85.7	Confident	163 Å²	163	31.4 Å²	31.4	71%	0.709	17%	0.173	S	C	*	.	H	α-helix	trans	-74.6	-41.8	176.5	-174.4	-177.9	177	-173.5	0	112.3	P870 L871 V872	P870-K874 WeakPolarHBondContact O-CB 3.38Å; P870-K874 PolarHBondContact O-N 3.42Å; P870-K874 VanDerWaalsContact O-N 3.15Å; L871-K874 PolarHBondContact O-N 3.47Å; L871-K874 VanDerWaalsContact O-N 3.14Å; V872-K874 PolarHBondContact O-N 2.87Å
875	S	85.4	Confident	85.8	Confident	4 Å²	4	28.7 Å²	28.7	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-82.5	-26.9	-173	63.6	0	0	0	0	113.7	M832 L835 N836 L837 L871 V872	M832-S875 VanDerWaalsContact CE-OG 3.22Å; M832-S875 WeakPolarHBondContact CE-OG 3.42Å; M832-S875 WeakPolarHBondContact O-CB 3.48Å; L835-S875 WeakPolarHBondContact O-CA 3.39Å; L835-S875 WeakPolarHBondContact O-CB 3.17Å; N836-S875 CarbonylContact C-O 3.6Å; N836-S875 WeakPolarHBondContact CA-O 3.3Å; L837-S875 PolarHBondContact N-O 3.46Å; L871-S875 WeakPolarHBondContact O-CB 3.4Å; L871-S875 PolarHBondContact O-N 3.39Å; L871-S875 PolarHBondContact O-OG 2.95Å; V872-S875 WeakPolarHBondContact CA-OG 3.41Å; V872-S875 PolarHBondContact O-N 3.47Å; V872-S875 PolarHBondContact O-OG 3.03Å
876	V	88.4	Confident	85.9	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.006	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-117.7	117.8	-173.8	-171.4	0	0	0	0	110.2	L837 V850 V872 C878 V881 L882	L837-V876 HydrophobicContact CB-CG1 4.28Å; L837-V876 HydrophobicContact CD1-CG1 4.27Å; L837-V876 HydrophobicContact CD1-CG2 4.01Å; V850-V876 HydrophobicContact CG1-CG2 4.25Å; V850-V876 HydrophobicContact CG2-CG2 4.44Å; V872-V876 HydrophobicContact CG1-CG2 4.33Å; V872-V876 WeakPolarHBondContact O-CB 3.46Å; V872-V876 PolarHBondContact O-N 3.08Å; V876-C878 HydrophobicContact CG1-CB 4.41Å; V876-V881 HydrophobicContact CG1-CB 4.05Å; V876-V881 HydrophobicContact CG1-CG1 3.9Å; V876-L882 HydrophobicContact CB-CD2 3.93Å; V876-L882 HydrophobicContact CB-CG 4.28Å; V876-L882 HydrophobicContact CG1-CD2 4.13Å; V876-L882 HydrophobicContact CG1-CG 3.99Å; V876-L882 WeakPolarHBondContact O-CD1 3.35Å
877	K	86.1	Confident	86	Confident	81 Å²	81	31.2 Å²	31.2	35%	0.352	16%	0.163	S	C	.	.			trans	-106.5	-8.8	176.3	-58	-178.7	-179.3	-177.4	0	113	L837 Y839 A879	L837-K877 WeakPolarHBondContact O-CB 3.47Å; L837-K877 PolarHBondContact O-N 3.4Å; Y839-K877 HydrophobicContact CD1-CB 3.87Å; Y839-K877 VanDerWaalsContact CD1-O 3.26Å; Y839-K877 WeakPolarHBondContact CD1-O 3.4Å; Y839-K877 HydrophobicContact CD2-CB 4.47Å; Y839-K877 HydrophobicContact CE1-CB 3.76Å; Y839-K877 HydrophobicContact CE1-CD 4.45Å; Y839-K877 HydrophobicContact CE2-CB 4.35Å; Y839-K877 HydrophobicContact CE2-CD 3.94Å; Y839-K877 HydrophobicContact CG-CB 4.23Å; K877-A879 PolarHBondContact O-N 3.41Å
878	C	87.8	Confident	85.7	Confident	3 Å²	3	35 Å²	35	2%	0.02	17%	0.166	C	C	.	.			trans	-74.4	117.3	178.6	-169.8	0	0	0	0	110.9	V876 T880 V881 L882	V876-C878 HydrophobicContact CG1-CB 4.41Å; C878-T880 PolarHBondContact O-N 3.05Å; C878-T880 PolarHBondContact SG-OG1 2.94Å; C878-T880 VanDerWaalsContact SG-OG1 3.4Å; C878-V881 HydrophobicContact CB-CB 4.2Å; C878-V881 HydrophobicContact CB-CG2 3.98Å; C878-V881 PolarHBondContact O-N 3.36Å; C878-L882 PolarHBondContact O-N 3.12Å; C878-L882 VanDerWaalsContact O-N 3.09Å
879	A	84.8	Confident	85.2	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-38.4	-171.7	0	0	0	0	0	114	K877 S883 A927 Y928 F950	K877-A879 PolarHBondContact O-N 3.41Å; A879-S883 VanDerWaalsContact O-CB 3.32Å; A879-S883 WeakPolarHBondContact O-CB 3.36Å; A879-S883 PolarHBondContact O-N 3.45Å; A879-A927 HydrophobicContact CB-CB 3.92Å; A879-Y928 HydrophobicContact CB-CD1 3.62Å; A879-Y928 HydrophobicContact CB-CD2 3.9Å; A879-Y928 HydrophobicContact CB-CE1 3.84Å; A879-Y928 HydrophobicContact CB-CE2 4.11Å; A879-Y928 HydrophobicContact CB-CG 3.64Å; A879-F950 HydrophobicContact CB-CZ 4.44Å
880	T	85.9	Confident	84.7	Confident	38 Å²	38	35.9 Å²	35.9	23%	0.233	17%	0.171	C	C	.	.	H	α-helix	trans	-68	-38.7	179.3	48.8	0	0	0	0	111.9	C878 S883 D884 F950	C878-T880 PolarHBondContact O-N 3.05Å; C878-T880 PolarHBondContact SG-OG1 2.94Å; C878-T880 VanDerWaalsContact SG-OG1 3.4Å; T880-S883 PolarHBondContact O-N 3.31Å; T880-D884 PolarHBondContact O-N 3.31Å; T880-F950 HydrophobicContact CG2-CD2 4.38Å; T880-F950 HydrophobicContact CG2-CE2 4.16Å
881	V	85.5	Confident	83.7	Confident	8 Å²	8	38.7 Å²	38.7	5%	0.048	18%	0.183	C	C	.	.	H	α-helix	trans	-67.9	-45.3	176.8	179.9	0	0	0	0	110.9	I847 V876 C878 S883 D884 I885	I847-V881 HydrophobicContact CD1-CG2 3.66Å; I847-V881 HydrophobicContact CG1-CG1 4.28Å; I847-V881 HydrophobicContact CG1-CG2 3.92Å; I847-V881 HydrophobicContact CG2-CG1 3.99Å; I847-V881 HydrophobicContact CG2-CG2 4.28Å; V876-V881 HydrophobicContact CG1-CB 4.05Å; V876-V881 HydrophobicContact CG1-CG1 3.9Å; C878-V881 HydrophobicContact CB-CB 4.2Å; C878-V881 HydrophobicContact CB-CG2 3.98Å; C878-V881 PolarHBondContact O-N 3.36Å; V881-S883 VanDerWaalsContact C-N 3.31Å; V881-S883 PolarHBondContact O-N 3.17Å; V881-D884 PolarHBondContact O-N 3.07Å; V881-I885 HydrophobicContact CG1-CD1 3.92Å; V881-I885 VanDerWaalsContact O-CG1 3.27Å; V881-I885 WeakPolarHBondContact O-CG1 3.48Å; V881-I885 PolarHBondContact O-N 3.49Å
882	L	86.4	Confident	82.2	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-40.1	174.8	-74.2	174.4	0	0	0	112.1	V872 V876 C878 I885 L886 L920 T924 A927	V872-L882 HydrophobicContact CG1-CD2 3.92Å; V876-L882 HydrophobicContact CB-CD2 3.93Å; V876-L882 HydrophobicContact CB-CG 4.28Å; V876-L882 HydrophobicContact CG1-CD2 4.13Å; V876-L882 HydrophobicContact CG1-CG 3.99Å; V876-L882 WeakPolarHBondContact O-CD1 3.35Å; C878-L882 PolarHBondContact O-N 3.12Å; C878-L882 VanDerWaalsContact O-N 3.09Å; L882-I885 PolarHBondContact O-N 3.22Å; L882-L886 VanDerWaalsContact O-CB 3.3Å; L882-L886 WeakPolarHBondContact O-CB 3.47Å; L882-L886 PolarHBondContact O-N 3.02Å; L882-L920 HydrophobicContact CD2-CD1 3.97Å; L882-T924 HydrophobicContact CB-CG2 3.88Å; L882-A927 HydrophobicContact CD1-CB 3.66Å
883	S	85.4	Confident	80.3	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-40.7	176.1	-173.7	0	0	0	0	112.6	A879 T880 V881 L886 R887 Y928 T957	A879-S883 VanDerWaalsContact O-CB 3.32Å; A879-S883 WeakPolarHBondContact O-CB 3.36Å; A879-S883 PolarHBondContact O-N 3.45Å; T880-S883 PolarHBondContact O-N 3.31Å; V881-S883 VanDerWaalsContact C-N 3.31Å; V881-S883 PolarHBondContact O-N 3.17Å; S883-L886 PolarHBondContact O-N 3.43Å; S883-R887 WeakPolarHBondContact O-CB 3.49Å; S883-R887 WeakPolarHBondContact O-CG 3.4Å; S883-R887 PolarHBondContact O-N 3.11Å; S883-Y928 WeakPolarHBondContact CB-OH 3.35Å; S883-T957 PolarHBondContact OG-OG1 3.25Å
884	D	85.1	Confident	78.1	Confident	55 Å²	55	48.6 Å²	48.6	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-45.2	174.2	-171.6	24.6	0	0	0	111.5	T880 V881 L886 R887 R888	T880-D884 PolarHBondContact O-N 3.31Å; V881-D884 PolarHBondContact O-N 3.07Å; D884-L886 VanDerWaalsContact C-N 3.32Å; D884-L886 PolarHBondContact O-N 3.42Å; D884-R887 PolarHBondContact O-N 2.97Å; D884-R888 WeakPolarHBondContact O-CG 3.49Å; D884-R888 PolarHBondContact O-N 2.84Å; D884-R888 IonicContact OD1-CZ 2.64Å; D884-R888 IonicContact OD1-NE 3.09Å; D884-R888 PolarHBondContact OD1-NE 3.4Å; D884-R888 IonicContact OD1-NH2 3.49Å; D884-R888 IonicContact OD2-CZ 3.05Å; D884-R888 IonicContact OD2-NE 2.67Å; D884-R888 PolarHBondContact OD2-NE 3.44Å; D884-R888 IonicContact OD2-NH2 2.69Å; D884-R888 PolarHBondContact OD2-NH2 3.3Å
885	I	85.4	Confident	76.1	Confident	2 Å²	2	44 Å²	44	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-46.6	174.9	-65.1	163	0	0	0	110.4	V850 L851 C854 V872 V881 L882 R888 C889 L920	V850-I885 HydrophobicContact CG1-CD1 3.58Å; V850-I885 HydrophobicContact CG1-CG1 4.49Å; L851-I885 HydrophobicContact CD2-CG1 3.62Å; C854-I885 HydrophobicContact CB-CG2 4.28Å; V872-I885 HydrophobicContact CG1-CD1 3.83Å; V872-I885 HydrophobicContact CG1-CG2 4.48Å; V881-I885 HydrophobicContact CG1-CD1 3.92Å; V881-I885 VanDerWaalsContact O-CG1 3.27Å; V881-I885 WeakPolarHBondContact O-CG1 3.48Å; V881-I885 PolarHBondContact O-N 3.49Å; L882-I885 PolarHBondContact O-N 3.22Å; I885-R888 PolarHBondContact O-N 3.48Å; I885-C889 WeakPolarHBondContact O-CB 3.49Å; I885-C889 PolarHBondContact O-N 2.91Å; I885-C889 PolarHBondContact O-SG 3.08Å; I885-L920 HydrophobicContact CG2-CD2 4.11Å
886	L	84.8	Confident	73.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-50	178.1	179.2	67.1	0	0	0	111.3	L882 S883 D884 R888 C889 T890 L920 L921 T957 M960	L882-L886 VanDerWaalsContact O-CB 3.3Å; L882-L886 WeakPolarHBondContact O-CB 3.47Å; L882-L886 PolarHBondContact O-N 3.02Å; S883-L886 PolarHBondContact O-N 3.43Å; D884-L886 VanDerWaalsContact C-N 3.32Å; D884-L886 PolarHBondContact O-N 3.42Å; L886-R888 VanDerWaalsContact C-N 3.34Å; L886-R888 PolarHBondContact O-N 2.92Å; L886-C889 PolarHBondContact O-N 3.36Å; L886-T890 WeakPolarHBondContact O-CG2 3.5Å; L886-T890 PolarHBondContact O-N 3.33Å; L886-T890 PolarHBondContact O-OG1 3.45Å; L886-L920 HydrophobicContact CB-CD2 4.05Å; L886-L920 HydrophobicContact CB-CG 4.31Å; L886-L920 HydrophobicContact CD1-CB 4.28Å; L886-L920 HydrophobicContact CD1-CD2 3.91Å; L886-L920 HydrophobicContact CD1-CG 4.04Å; L886-L921 HydrophobicContact CD1-CB 4.37Å; L886-L921 HydrophobicContact CD2-CB 4.3Å; L886-L921 HydrophobicContact CD2-CD1 3.66Å; L886-T957 HydrophobicContact CD2-CG2 4.41Å; L886-M960 HydrophobicContact CD2-SD 4.17Å
887	R	83	Confident	71.2	Confident	91 Å²	91	59.2 Å²	59.2	34%	0.343	33%	0.33	S	S	.	.	H	α-helix	trans	-57.3	-45.7	177	-77	176.1	-179.6	-171.1	-0.4	111.5	S883 D884 C889 T890 L891 E956 M960	S883-R887 WeakPolarHBondContact O-CB 3.49Å; S883-R887 WeakPolarHBondContact O-CG 3.4Å; S883-R887 PolarHBondContact O-N 3.11Å; D884-R887 PolarHBondContact O-N 2.97Å; R887-C889 PolarHBondContact O-N 3.33Å; R887-T890 PolarHBondContact O-N 2.69Å; R887-T890 PolarHBondContact O-OG1 3.29Å; R887-L891 WeakPolarHBondContact O-CG 3.33Å; R887-L891 PolarHBondContact O-N 3.05Å; R887-E956 IonicContact CZ-OE2 3.43Å; R887-E956 IonicContact NH1-OE2 3.49Å; R887-E956 IonicContact NH2-OE2 3.84Å; R887-E956 PolarHBondContact NH2-OE2 2.95Å; R887-M960 HydrophobicContact CG-CE 3.89Å
888	R	79.5	Confident	68.7	Low	133 Å²	133	60.3 Å²	60.3	50%	0.502	35%	0.347	S	S	.	.	H	α-helix	trans	-67.2	-34.2	178.6	-67.4	-176.8	-163.6	-155.6	8.1	113.4	D884 I885 L886 T890 L891	D884-R888 WeakPolarHBondContact O-CG 3.49Å; D884-R888 PolarHBondContact O-N 2.84Å; D884-R888 IonicContact OD1-CZ 2.64Å; D884-R888 IonicContact OD1-NE 3.09Å; D884-R888 PolarHBondContact OD1-NE 3.4Å; D884-R888 IonicContact OD1-NH2 3.49Å; D884-R888 IonicContact OD2-CZ 3.05Å; D884-R888 IonicContact OD2-NE 2.67Å; D884-R888 PolarHBondContact OD2-NE 3.44Å; D884-R888 IonicContact OD2-NH2 2.69Å; D884-R888 PolarHBondContact OD2-NH2 3.3Å; I885-R888 PolarHBondContact O-N 3.48Å; L886-R888 VanDerWaalsContact C-N 3.34Å; L886-R888 PolarHBondContact O-N 2.92Å; R888-T890 VanDerWaalsContact C-N 3.29Å; R888-T890 PolarHBondContact O-N 3.47Å; R888-L891 PolarHBondContact O-N 3.33Å; R888-L891 VanDerWaalsContact O-O 3.11Å
889	C	77.3	Confident	66	Low	6 Å²	6	64 Å²	64	4%	0.041	38%	0.379	C	S	.	.	H	α-helix	trans	-73.1	-21.2	175.6	-64.6	0	0	0	0	113	I885 L886 R887 L917	I885-C889 WeakPolarHBondContact O-CB 3.49Å; I885-C889 PolarHBondContact O-N 2.91Å; I885-C889 PolarHBondContact O-SG 3.08Å; L886-C889 PolarHBondContact O-N 3.36Å; R887-C889 PolarHBondContact O-N 3.33Å; C889-L917 HydrophobicContact CB-CD2 3.77Å
890	T	74	Confident	63.6	Low	17 Å²	17	71 Å²	71	10%	0.104	42%	0.415	C	S	.	.	H	α-helix	trans	-82.6	-24.9	174.7	59.8	0	0	0	0	113.4	L886 R887 R888 L909 L912 L917	L886-T890 WeakPolarHBondContact O-CG2 3.5Å; L886-T890 PolarHBondContact O-N 3.33Å; L886-T890 PolarHBondContact O-OG1 3.45Å; R887-T890 PolarHBondContact O-N 2.69Å; R887-T890 PolarHBondContact O-OG1 3.29Å; R888-T890 VanDerWaalsContact C-N 3.29Å; R888-T890 PolarHBondContact O-N 3.47Å; T890-L909 VanDerWaalsContact O-CD1 3.25Å; T890-L909 WeakPolarHBondContact O-CD1 3.41Å; T890-L909 WeakPolarHBondContact O-CG 3.38Å; T890-L912 HydrophobicContact CG2-CD1 3.52Å; T890-L912 HydrophobicContact CG2-CD2 4.33Å; T890-L912 HydrophobicContact CG2-CG 3.94Å; T890-L917 HydrophobicContact CG2-CD1 4.46Å
891	L	67.4	Low	60.9	Low	111 Å²	111	77.6 Å²	77.6	58%	0.581	44%	0.443	S	S	*	.	S	Bend	trans	-86.9	123.3	177.2	-67	167.7	0	0	0	109.7	R887 R888 T893	R887-L891 WeakPolarHBondContact O-CG 3.33Å; R887-L891 PolarHBondContact O-N 3.05Å; R888-L891 PolarHBondContact O-N 3.33Å; R888-L891 VanDerWaalsContact O-O 3.11Å; L891-T893 PolarHBondContact O-N 3.08Å
892	T	54.1	Low	58.3	Low	82 Å²	82	83.2 Å²	83.2	50%	0.503	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-61.2	124.3	168.7	49.2	0	0	0	0	109.2
893	T	46.8	Very low	55.9	Low	84 Å²	84	93.9 Å²	93.9	52%	0.515	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-51.8	124.3	-175.5	-7.7	0	0	0	0	111.9	H858 L891 G895	H858-T893 PolarHBondContact CE1-OG1 3.22Å; H858-T893 PolarHBondContact ND1-OG1 2.8Å; L891-T893 PolarHBondContact O-N 3.08Å; T893-G895 PolarHBondContact O-N 3.19Å
894	P	40.3	Very low	53.8	Low	131 Å²	131	104.7 Å²	104.7	85%	0.851	56%	0.562	S	S	*	*	S	Bend	trans	-82.4	101.1	164.8	15.4	-1.4	0	0	0	108.6
895	G	44.6	Very low	51.3	Low	67 Å²	67	110.2 Å²	110.2	69%	0.691	59%	0.592	S	S	*	*			trans	143.5	78.7	166.9	0	0	0	0	0	115.8	T893	T893-G895 PolarHBondContact O-N 3.19Å
896	M	39.5	Very low	48.9	Very low	177 Å²	177	115.6 Å²	115.6	87%	0.872	63%	0.63	S	S	*	*			trans	-160.2	102.6	143.3	-159.7	87.9	89.8	0	0	110.3
897	V	32.2	Very low	47	Very low	148 Å²	148	118.7 Å²	118.7	90%	0.897	66%	0.662	S	S	*	*			trans	-105.2	127.4	148.7	180	0	0	0	0	101.9
898	S	33	Very low	45.3	Very low	103 Å²	103	123 Å²	123	72%	0.72	68%	0.683	S	S	*	*			cis	-167	150.2	27.9	170.4	0	0	0	0	108
899	A	30.4	Very low	44	Very low	82 Å²	82	122.2 Å²	122.2	68%	0.678	69%	0.688	S	S	*	*				170.4	107.6	120.9	0	0	0	0	0	112.5
900	L	34.1	Very low	43.1	Very low	148 Å²	148	123.8 Å²	123.8	78%	0.775	70%	0.695	S	S	*	*			trans	75.9	107.4	156.5	-69.9	128.1	0	0	0	120.8
901	H	31.1	Very low	42.5	Very low	175 Å²	175	125.5 Å²	125.5	81%	0.81	71%	0.708	S	S	*	*			trans	73	95.3	152.6	-61.7	-62.2	0	0	0	120
902	S	29.3	Very low	42.3	Very low	127 Å²	127	121.7 Å²	121.7	89%	0.888	69%	0.688	S	S	*	*				163.6	153.8	99.6	-163	0	0	0	0	111.6
903	R	36.8	Very low	42.6	Very low	226 Å²	226	122.2 Å²	122.2	85%	0.853	69%	0.688	S	S	*	*			trans	-70.9	149.2	-160.5	-76.9	170.7	168.8	171.7	-3.3	115.6
904	R	41.6	Very low	43.5	Very low	233 Å²	233	125.2 Å²	125.2	88%	0.879	69%	0.694	S	S	*	*			trans	58.4	99.8	151.6	-70.9	177.9	-179.7	168.3	-0.5	117.1
905	N	31.5	Very low	44.5	Very low	172 Å²	172	123.3 Å²	123.3	92%	0.92	69%	0.689	S	S	*	*			trans	-153.8	123.6	130.2	-116.3	-12.8	0	0	0	112.1
906	S	35.7	Very low	45.5	Very low	114 Å²	114	120.9 Å²	120.9	80%	0.797	66%	0.661	S	S	*	*			trans	-61.8	144.3	177.3	177.8	0	0	0	0	111.6	K908	S906-K908 PolarHBondContact O-N 3.36Å; S906-K908 VanDerWaalsContact O-N 3.14Å
907	G	45.8	Very low	47.3	Very low	66 Å²	66	112.5 Å²	112.5	68%	0.68	62%	0.62	S	S	*	*			trans	-54.5	112.3	-179.5	0	0	0	0	0	112.6
908	K	47.1	Very low	49.5	Very low	180 Å²	180	108.2 Å²	108.2	78%	0.783	59%	0.588	S	S	*	*			trans	-103.3	110.5	162.1	-100.8	179.2	175.9	173.9	0	107.9	S906 M910	S906-K908 PolarHBondContact O-N 3.36Å; S906-K908 VanDerWaalsContact O-N 3.14Å; K908-M910 PolarHBondContact O-N 2.77Å
909	L	51.3	Low	51.9	Low	117 Å²	117	107.8 Å²	107.8	61%	0.613	58%	0.575	S	S	*	*			trans	-45.5	133.4	164.6	-146.4	81.1	0	0	0	108.7	T890 S911	T890-L909 VanDerWaalsContact O-CD1 3.25Å; T890-L909 WeakPolarHBondContact O-CD1 3.41Å; T890-L909 WeakPolarHBondContact O-CG 3.38Å; L909-S911 PolarHBondContact O-N 2.67Å
910	M	58.4	Low	54.5	Low	39 Å²	39	103.9 Å²	103.9	19%	0.192	54%	0.542	C	S	.	.			trans	-66.1	123.5	175	-68.9	-117.1	59.8	0	0	108.2	K862 K908 L912 L917	K862-M910 HydrophobicContact CD-CE 3.73Å; K862-M910 HydrophobicContact CD-SD 3.88Å; K862-M910 HydrophobicContact CG-CE 4.33Å; K862-M910 HydrophobicContact CG-SD 3.87Å; K908-M910 PolarHBondContact O-N 2.77Å; M910-L912 PolarHBondContact O-N 3.05Å; M910-L917 HydrophobicContact CB-CD1 3.42Å; M910-L917 VanDerWaalsContact CB-CD1 3.42Å; M910-L917 HydrophobicContact CG-CD1 4.45Å
911	S	61.9	Low	56.9	Low	54 Å²	54	96.9 Å²	96.9	38%	0.378	51%	0.505	S	S	.	.			trans	-67.8	122	178.1	169.3	0	0	0	0	109.3	L909 D913 K914	L909-S911 PolarHBondContact O-N 2.67Å; S911-D913 PolarHBondContact O-N 3.13Å; S911-D913 VanDerWaalsContact O-N 3.15Å; S911-D913 PolarHBondContact OG-N 3.03Å; S911-K914 PolarHBondContact O-N 3.32Å
912	L	62.2	Low	59.5	Low	30 Å²	30	91.9 Å²	91.9	16%	0.157	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.6	177.4	-81.2	79.9	0	0	0	112.8	T890 M910 K914 R918 L921 M960	T890-L912 HydrophobicContact CG2-CD1 3.52Å; T890-L912 HydrophobicContact CG2-CD2 4.33Å; T890-L912 HydrophobicContact CG2-CG 3.94Å; M910-L912 PolarHBondContact O-N 3.05Å; L912-K914 VanDerWaalsContact C-N 3.31Å; L912-R918 WeakPolarHBondContact O-CA 3.44Å; L912-R918 WeakPolarHBondContact O-CB 3.18Å; L912-R918 PolarHBondContact O-N 3.38Å; L912-L921 HydrophobicContact CD2-CD1 4.46Å; L912-L921 HydrophobicContact CD2-CD2 4.25Å; L912-M960 HydrophobicContact CD2-CB 3.86Å
913	D	60.3	Low	62.2	Low	93 Å²	93	87 Å²	87	50%	0.497	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.6	-178.8	-61.8	-44.1	0	0	0	113.5	S911 R918	S911-D913 PolarHBondContact O-N 3.13Å; S911-D913 VanDerWaalsContact O-N 3.15Å; S911-D913 PolarHBondContact OG-N 3.03Å; D913-R918 IonicContact OD1-NH1 3.66Å
914	K	66.3	Low	64.6	Low	147 Å²	147	76.2 Å²	76.2	64%	0.639	41%	0.412	S	S	*	.	S	Bend	trans	-113.2	144.3	178.6	-64.4	-172.1	179.1	-173.8	0	111.3	S911 L912 L917 R918	S911-K914 PolarHBondContact O-N 3.32Å; L912-K914 VanDerWaalsContact C-N 3.31Å; K914-L917 PolarHBondContact O-N 3Å; K914-R918 PolarHBondContact O-N 3.47Å
915	A	61.8	Low	66.7	Low	92 Å²	92	65.5 Å²	65.5	76%	0.76	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	135.5	170.1	0	0	0	0	0	109.2
916	P	65.4	Low	69.3	Low	15 Å²	15	58.4 Å²	58.4	10%	0.097	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.3	-9.2	13	38.1	-40.5	0	0	0	116.2	A866 I869 R918 Q919	A866-P916 HydrophobicContact CB-CB 3.86Å; A866-P916 HydrophobicContact CB-CG 3.71Å; I869-P916 HydrophobicContact CB-CB 4.25Å; I869-P916 HydrophobicContact CD1-CB 3.53Å; I869-P916 HydrophobicContact CD1-CG 3.37Å; I869-P916 HydrophobicContact CG1-CB 4.48Å; I869-P916 HydrophobicContact CG2-CB 4.35Å; P916-R918 VanDerWaalsContact C-N 3.33Å; P916-R918 PolarHBondContact O-N 3.49Å; P916-Q919 PolarHBondContact O-N 3.41Å
917	L	76.9	Confident	71.8	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-69.5	-28.1	-171	-69.2	177.7	0	0	0	113.9	I869 C889 T890 M910 K914 Q919 L920 L921	I869-L917 HydrophobicContact CD1-CD2 4.09Å; C889-L917 HydrophobicContact CB-CD2 3.77Å; T890-L917 HydrophobicContact CG2-CD1 4.46Å; M910-L917 HydrophobicContact CB-CD1 3.42Å; M910-L917 VanDerWaalsContact CB-CD1 3.42Å; M910-L917 HydrophobicContact CG-CD1 4.45Å; K914-L917 PolarHBondContact O-N 3Å; L917-Q919 VanDerWaalsContact C-N 3.29Å; L917-Q919 PolarHBondContact O-N 2.9Å; L917-L920 PolarHBondContact O-N 2.91Å; L917-L921 PolarHBondContact O-N 2.95Å
918	R	79.6	Confident	73.8	Confident	58 Å²	58	50.4 Å²	50.4	22%	0.219	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-41	175.1	-172.4	67.5	-162.5	-159.8	1.6	112.1	L912 D913 K914 P916 L920 L921 D922 D963	L912-R918 WeakPolarHBondContact O-CA 3.44Å; L912-R918 WeakPolarHBondContact O-CB 3.18Å; L912-R918 PolarHBondContact O-N 3.38Å; D913-R918 IonicContact OD1-NH1 3.66Å; K914-R918 PolarHBondContact O-N 3.47Å; P916-R918 VanDerWaalsContact C-N 3.33Å; P916-R918 PolarHBondContact O-N 3.49Å; R918-L920 VanDerWaalsContact C-N 3.35Å; R918-L920 PolarHBondContact O-N 3.43Å; R918-L921 WeakPolarHBondContact O-CB 3.39Å; R918-L921 PolarHBondContact O-N 2.87Å; R918-D922 IonicContact CZ-OD1 3.66Å; R918-D922 IonicContact NE-OD1 3.32Å; R918-D922 PolarHBondContact NE-OD1 3.44Å; R918-D922 IonicContact NE-OD2 2.68Å; R918-D922 IonicContact NH2-OD1 3.01Å; R918-D922 PolarHBondContact NH2-OD1 2.81Å; R918-D922 VanDerWaalsContact O-CG 3.27Å; R918-D922 PolarHBondContact O-N 3.38Å; R918-D963 IonicContact NH2-OD1 3.27Å; R918-D963 PolarHBondContact NH2-OD1 2.87Å
919	Q	83	Confident	75.7	Confident	94 Å²	94	44.1 Å²	44.1	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-39.6	177.8	-173.8	-178.4	6.3	0	0	112.1	P916 L917 A923	P916-Q919 PolarHBondContact O-N 3.41Å; L917-Q919 VanDerWaalsContact C-N 3.29Å; L917-Q919 PolarHBondContact O-N 2.9Å; Q919-A923 VanDerWaalsContact O-CB 3.25Å; Q919-A923 WeakPolarHBondContact O-CB 3.41Å; Q919-A923 PolarHBondContact O-N 3.35Å
920	L	84.4	Confident	77.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-40.8	176.2	-175.5	62.8	0	0	0	111.4	I869 V872 V873 L882 I885 L886 L917 R918 A923 T924	I869-L920 HydrophobicContact CG2-CB 3.97Å; V872-L920 HydrophobicContact CG1-CD1 4.28Å; V873-L920 HydrophobicContact CG2-CD1 3.96Å; L882-L920 HydrophobicContact CD2-CD1 3.97Å; I885-L920 HydrophobicContact CG2-CD2 4.11Å; L886-L920 HydrophobicContact CB-CD2 4.05Å; L886-L920 HydrophobicContact CB-CG 4.31Å; L886-L920 HydrophobicContact CD1-CB 4.28Å; L886-L920 HydrophobicContact CD1-CD2 3.91Å; L886-L920 HydrophobicContact CD1-CG 4.04Å; L917-L920 PolarHBondContact O-N 2.91Å; R918-L920 VanDerWaalsContact C-N 3.35Å; R918-L920 PolarHBondContact O-N 3.43Å; L920-A923 PolarHBondContact O-N 2.84Å; L920-T924 WeakPolarHBondContact O-CB 3.24Å; L920-T924 PolarHBondContact O-N 3.32Å; L920-T924 PolarHBondContact O-OG1 3.12Å
921	L	85.1	Confident	78.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-51.5	176	177.2	66.4	0	0	0	111.3	L886 L912 L917 R918 A923 T924 I925 M960 A961	L886-L921 HydrophobicContact CD1-CB 4.37Å; L886-L921 HydrophobicContact CD2-CB 4.3Å; L886-L921 HydrophobicContact CD2-CD1 3.66Å; L912-L921 HydrophobicContact CD2-CD1 4.46Å; L912-L921 HydrophobicContact CD2-CD2 4.25Å; L917-L921 PolarHBondContact O-N 2.95Å; R918-L921 WeakPolarHBondContact O-CB 3.39Å; R918-L921 PolarHBondContact O-N 2.87Å; L921-A923 VanDerWaalsContact C-N 3.33Å; L921-A923 PolarHBondContact O-N 2.77Å; L921-T924 PolarHBondContact O-N 3.36Å; L921-T924 VanDerWaalsContact O-N 3.15Å; L921-I925 HydrophobicContact CD1-CD1 4.23Å; L921-I925 HydrophobicContact CG-CD1 4.17Å; L921-I925 WeakPolarHBondContact O-CG1 3.39Å; L921-I925 PolarHBondContact O-N 3.04Å; L921-M960 HydrophobicContact CD1-CB 3.96Å; L921-A961 HydrophobicContact CD2-CB 3.82Å; L921-A961 HydrophobicContact CG-CB 4.44Å
922	D	85.8	Confident	79.9	Confident	70 Å²	70	38 Å²	38	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-40.1	179.6	-64.7	-27.1	0	0	0	111.3	R918 I925 G926	R918-D922 IonicContact CZ-OD1 3.66Å; R918-D922 IonicContact NE-OD1 3.32Å; R918-D922 PolarHBondContact NE-OD1 3.44Å; R918-D922 IonicContact NE-OD2 2.68Å; R918-D922 IonicContact NH2-OD1 3.01Å; R918-D922 PolarHBondContact NH2-OD1 2.81Å; R918-D922 VanDerWaalsContact O-CG 3.27Å; R918-D922 PolarHBondContact O-N 3.38Å; D922-I925 PolarHBondContact O-N 2.88Å; D922-G926 PolarHBondContact O-N 2.88Å
923	A	85.7	Confident	81.1	Confident	25 Å²	25	38.6 Å²	38.6	21%	0.207	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-38	174.3	0	0	0	0	0	113.1	V873 Q919 L920 L921 G926 A927	V873-A923 HydrophobicContact CB-CB 4.18Å; V873-A923 HydrophobicContact CG1-CB 3.51Å; V873-A923 HydrophobicContact CG2-CB 3.64Å; Q919-A923 VanDerWaalsContact O-CB 3.25Å; Q919-A923 WeakPolarHBondContact O-CB 3.41Å; Q919-A923 PolarHBondContact O-N 3.35Å; L920-A923 PolarHBondContact O-N 2.84Å; L921-A923 VanDerWaalsContact C-N 3.33Å; L921-A923 PolarHBondContact O-N 2.77Å; A923-G926 PolarHBondContact O-N 2.78Å; A923-A927 WeakPolarHBondContact O-CB 3.46Å; A923-A927 PolarHBondContact O-N 2.9Å
924	T	86.1	Confident	82.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-43.5	177.2	-53.6	0	0	0	0	110.7	L882 L920 L921 A927 Y928 T957	L882-T924 HydrophobicContact CB-CG2 3.88Å; L920-T924 WeakPolarHBondContact O-CB 3.24Å; L920-T924 PolarHBondContact O-N 3.32Å; L920-T924 PolarHBondContact O-OG1 3.12Å; L921-T924 PolarHBondContact O-N 3.36Å; L921-T924 VanDerWaalsContact O-N 3.15Å; T924-A927 PolarHBondContact O-N 2.77Å; T924-Y928 HydrophobicContact CG2-CD2 4.05Å; T924-Y928 HydrophobicContact CG2-CE2 3.89Å; T924-Y928 VanDerWaalsContact O-CD2 3.3Å; T924-Y928 WeakPolarHBondContact O-CD2 3.11Å; T924-Y928 PolarHBondContact O-N 3.08Å; T924-T957 HydrophobicContact CG2-CG2 3.66Å
925	I	86.3	Confident	83.2	Confident	7 Å²	7	32.3 Å²	32.3	4%	0.036	19%	0.187	C	C	.	.	H	α-helix	trans	-57.9	-50.7	173.4	-72.6	172	0	0	0	110	L921 D922 A927 Y928 I929 F958 A961	L921-I925 HydrophobicContact CD1-CD1 4.23Å; L921-I925 HydrophobicContact CG-CD1 4.17Å; L921-I925 WeakPolarHBondContact O-CG1 3.39Å; L921-I925 PolarHBondContact O-N 3.04Å; D922-I925 PolarHBondContact O-N 2.88Å; I925-A927 VanDerWaalsContact C-N 3.33Å; I925-A927 PolarHBondContact O-N 2.98Å; I925-Y928 PolarHBondContact O-N 3.05Å; I925-I929 HydrophobicContact CG2-CD1 4.18Å; I925-I929 WeakPolarHBondContact O-CG1 3.33Å; I925-I929 PolarHBondContact O-N 3.3Å; I925-I929 VanDerWaalsContact O-N 3.08Å; I925-F958 HydrophobicContact CB-CE2 4.4Å; I925-F958 HydrophobicContact CG1-CD2 4.21Å; I925-F958 HydrophobicContact CG1-CE2 4.4Å; I925-F958 HydrophobicContact CG1-CG 4.42Å; I925-F958 HydrophobicContact CG2-CD1 4.28Å; I925-F958 HydrophobicContact CG2-CD2 4.43Å; I925-F958 HydrophobicContact CG2-CE1 3.73Å; I925-F958 HydrophobicContact CG2-CE2 3.91Å; I925-F958 HydrophobicContact CG2-CZ 3.56Å; I925-A961 HydrophobicContact CD1-CB 4.14Å
926	G	86.9	Confident	84.3	Confident	24 Å²	24	27.9 Å²	27.9	25%	0.247	15%	0.151	C	C	.	.	H	α-helix	trans	-60.7	-37.6	176.6	0	0	0	0	0	113.6	D922 A923 I929 N930	D922-G926 PolarHBondContact O-N 2.88Å; A923-G926 PolarHBondContact O-N 2.78Å; G926-I929 PolarHBondContact O-N 2.83Å; G926-N930 WeakPolarHBondContact O-CB 3.4Å; G926-N930 PolarHBondContact O-N 2.85Å; G926-N930 PolarHBondContact O-ND2 2.83Å; G926-N930 VanDerWaalsContact O-ND2 3.12Å
927	A	87.1	Confident	85	Confident	7 Å²	7	30.6 Å²	30.6	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-40.7	175.8	0	0	0	0	0	112	A879 L882 A923 T924 I925 N930 T931	A879-A927 HydrophobicContact CB-CB 3.92Å; L882-A927 HydrophobicContact CD1-CB 3.66Å; A923-A927 WeakPolarHBondContact O-CB 3.46Å; A923-A927 PolarHBondContact O-N 2.9Å; T924-A927 PolarHBondContact O-N 2.77Å; I925-A927 VanDerWaalsContact C-N 3.33Å; I925-A927 PolarHBondContact O-N 2.98Å; A927-N930 PolarHBondContact O-N 2.8Å; A927-T931 VanDerWaalsContact O-CB 3.25Å; A927-T931 WeakPolarHBondContact O-CB 3.36Å; A927-T931 PolarHBondContact O-N 3.25Å; A927-T931 PolarHBondContact O-OG1 3.31Å
928	Y	88.8	Confident	85	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-43.9	173.6	-88	-68.6	0	0	0	111.5	A879 S883 T924 I925 T932 F950 A954 T957	A879-Y928 HydrophobicContact CB-CD1 3.62Å; A879-Y928 HydrophobicContact CB-CD2 3.9Å; A879-Y928 HydrophobicContact CB-CE1 3.84Å; A879-Y928 HydrophobicContact CB-CE2 4.11Å; A879-Y928 HydrophobicContact CB-CG 3.64Å; S883-Y928 WeakPolarHBondContact CB-OH 3.35Å; T924-Y928 HydrophobicContact CG2-CD2 4.05Å; T924-Y928 HydrophobicContact CG2-CE2 3.89Å; T924-Y928 VanDerWaalsContact O-CD2 3.3Å; T924-Y928 WeakPolarHBondContact O-CD2 3.11Å; T924-Y928 PolarHBondContact O-N 3.08Å; I925-Y928 PolarHBondContact O-N 3.05Å; Y928-T932 VanDerWaalsContact O-CB 3.31Å; Y928-T932 WeakPolarHBondContact O-CB 3.41Å; Y928-T932 PolarHBondContact O-N 2.71Å; Y928-T932 PolarHBondContact O-OG1 3.25Å; Y928-F950 HydrophobicContact CD1-CE1 4.05Å; Y928-F950 AromaticContact CD1-CE2 3.88Å; Y928-F950 HydrophobicContact CD1-CE2 3.88Å; Y928-F950 AromaticContact CD1-CZ 3.49Å; Y928-F950 HydrophobicContact CD1-CZ 3.49Å; Y928-F950 VanDerWaalsContact CD1-CZ 3.49Å; Y928-F950 HydrophobicContact CE1-CD2 4.33Å; Y928-F950 AromaticContact CE1-CE2 3.71Å; Y928-F950 HydrophobicContact CE1-CE2 3.71Å; Y928-F950 AromaticContact CE1-CZ 3.84Å; Y928-F950 HydrophobicContact CE1-CZ 3.84Å; Y928-A954 HydrophobicContact CD1-CB 3.44Å; Y928-A954 VanDerWaalsContact CD1-CB 3.44Å; Y928-A954 HydrophobicContact CD2-CB 4.45Å; Y928-A954 HydrophobicContact CE1-CB 3.95Å; Y928-A954 HydrophobicContact CG-CB 3.74Å; Y928-T957 HydrophobicContact CD2-CG2 4.33Å; Y928-T957 HydrophobicContact CE2-CG2 4Å; Y928-T957 WeakPolarHBondContact CE2-OG1 3.39Å
929	I	87.4	Confident	85.2	Confident	49 Å²	49	37.2 Å²	37.2	25%	0.251	20%	0.2	S	C	.	.	H	α-helix	trans	-58.7	-54.5	176.6	-67.1	170.7	0	0	0	110.6	I925 G926 T931 T932 H933 F958 F971	I925-I929 HydrophobicContact CG2-CD1 4.18Å; I925-I929 WeakPolarHBondContact O-CG1 3.33Å; I925-I929 PolarHBondContact O-N 3.3Å; I925-I929 VanDerWaalsContact O-N 3.08Å; G926-I929 PolarHBondContact O-N 2.83Å; I929-T931 PolarHBondContact O-N 3.43Å; I929-T932 WeakPolarHBondContact O-CB 3.49Å; I929-T932 PolarHBondContact O-N 3.23Å; I929-H933 PolarHBondContact O-CD2 2.78Å; I929-H933 VanDerWaalsContact O-CD2 3.23Å; I929-H933 PolarHBondContact O-N 2.94Å; I929-F958 HydrophobicContact CD1-CZ 4.02Å; I929-F958 HydrophobicContact CG1-CZ 3.88Å; I929-F971 HydrophobicContact CB-CD2 4.46Å; I929-F971 HydrophobicContact CB-CE2 3.98Å; I929-F971 HydrophobicContact CB-CZ 4.35Å; I929-F971 HydrophobicContact CD1-CD2 4.49Å; I929-F971 HydrophobicContact CG1-CD2 3.85Å; I929-F971 HydrophobicContact CG1-CE2 3.79Å; I929-F971 HydrophobicContact CG1-CG 4.27Å; I929-F971 HydrophobicContact CG1-CZ 4.12Å; I929-F971 HydrophobicContact CG2-CD2 4.19Å; I929-F971 HydrophobicContact CG2-CE2 3.76Å
930	N	86.9	Confident	85.4	Confident	80 Å²	80	34.7 Å²	34.7	43%	0.428	19%	0.193	S	C	.	.	H	α-helix	trans	-61.6	-43.9	-178.2	-72.1	-34.5	0	0	0	112.6	Y839 G926 A927 T932 H933 S934	Y839-N930 HydrophobicContact CD1-CB 4.4Å; Y839-N930 HydrophobicContact CE1-CB 3.81Å; G926-N930 WeakPolarHBondContact O-CB 3.4Å; G926-N930 PolarHBondContact O-N 2.85Å; G926-N930 PolarHBondContact O-ND2 2.83Å; G926-N930 VanDerWaalsContact O-ND2 3.12Å; A927-N930 PolarHBondContact O-N 2.8Å; N930-T932 VanDerWaalsContact C-N 3.3Å; N930-T932 PolarHBondContact O-N 2.61Å; N930-H933 PolarHBondContact O-N 2.79Å; N930-S934 WeakPolarHBondContact O-CB 3.17Å; N930-S934 PolarHBondContact O-N 3.3Å
931	T	86.3	Confident	85.3	Confident	1 Å²	1	39 Å²	39	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-36.8	178.2	-53.3	0	0	0	0	111	A927 I929 S934 R935 F950	A927-T931 VanDerWaalsContact O-CB 3.25Å; A927-T931 WeakPolarHBondContact O-CB 3.36Å; A927-T931 PolarHBondContact O-N 3.25Å; A927-T931 PolarHBondContact O-OG1 3.31Å; I929-T931 PolarHBondContact O-N 3.43Å; T931-S934 PolarHBondContact O-N 2.96Å; T931-R935 HydrophobicContact CG2-CG 4.32Å; T931-R935 WeakPolarHBondContact O-CB 3.41Å; T931-R935 WeakPolarHBondContact O-CG 3.22Å; T931-R935 PolarHBondContact O-N 2.75Å; T931-F950 HydrophobicContact CG2-CE1 4.36Å; T931-F950 HydrophobicContact CG2-CE2 4.26Å; T931-F950 HydrophobicContact CG2-CZ 3.68Å
932	T	86.4	Confident	85.3	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-49.2	176.4	-57.9	0	0	0	0	111.2	Y928 I929 N930 S934 R935 L936 F947 L951 F971 L975	Y928-T932 VanDerWaalsContact O-CB 3.31Å; Y928-T932 WeakPolarHBondContact O-CB 3.41Å; Y928-T932 PolarHBondContact O-N 2.71Å; Y928-T932 PolarHBondContact O-OG1 3.25Å; I929-T932 WeakPolarHBondContact O-CB 3.49Å; I929-T932 PolarHBondContact O-N 3.23Å; N930-T932 VanDerWaalsContact C-N 3.3Å; N930-T932 PolarHBondContact O-N 2.61Å; T932-S934 VanDerWaalsContact C-N 3.33Å; T932-S934 PolarHBondContact O-N 3.13Å; T932-R935 PolarHBondContact O-N 3.45Å; T932-L936 HydrophobicContact CG2-CD1 3.91Å; T932-L936 HydrophobicContact CG2-CG 4.41Å; T932-L936 VanDerWaalsContact O-CB 3.28Å; T932-L936 WeakPolarHBondContact O-CB 3.39Å; T932-L936 VanDerWaalsContact O-CG 3.25Å; T932-L936 WeakPolarHBondContact O-CG 3.29Å; T932-L936 PolarHBondContact O-N 3.07Å; T932-F947 HydrophobicContact CG2-CE2 3.88Å; T932-F947 HydrophobicContact CG2-CZ 3.61Å; T932-L951 HydrophobicContact CG2-CD2 3.83Å; T932-F971 HydrophobicContact CG2-CE1 4.34Å; T932-F971 HydrophobicContact CG2-CZ 3.72Å; T932-L975 HydrophobicContact CG2-CD1 3.69Å; T932-L975 HydrophobicContact CG2-CD2 3.96Å; T932-L975 HydrophobicContact CG2-CG 4.48Å
933	H	86.9	Confident	85.3	Confident	42 Å²	42	51.2 Å²	51.2	19%	0.194	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-42.7	176.1	-77.9	-71.8	0	0	0	111.9	I929 N930 L936 T937 F971 Y979	I929-H933 PolarHBondContact O-CD2 2.78Å; I929-H933 VanDerWaalsContact O-CD2 3.23Å; I929-H933 PolarHBondContact O-N 2.94Å; N930-H933 PolarHBondContact O-N 2.79Å; H933-L936 PolarHBondContact O-N 3.33Å; H933-T937 PolarHBondContact O-N 2.88Å; H933-F971 AromaticContact NE2-CE2 3.98Å; H933-Y979 AromaticContact CE1-CE2 3.91Å; H933-Y979 AromaticContact ND1-CE2 3.38Å; H933-Y979 WeakPolarHBondContact ND1-CE2 3.4Å; H933-Y979 AromaticContact ND1-CZ 3.67Å; H933-Y979 PolarHBondContact ND1-OH 2.83Å; H933-Y979 PolarHBondContact O-OH 2.88Å
934	S	85.3	Confident	85.4	Confident	53 Å²	53	51.3 Å²	51.3	37%	0.371	26%	0.261	S	S	.	.	H	α-helix	trans	-66.1	-41.8	177.3	177.4	0	0	0	0	113.5	N930 T931 T932 L936 T937	N930-S934 WeakPolarHBondContact O-CB 3.17Å; N930-S934 PolarHBondContact O-N 3.3Å; T931-S934 PolarHBondContact O-N 2.96Å; T932-S934 VanDerWaalsContact C-N 3.33Å; T932-S934 PolarHBondContact O-N 3.13Å; S934-L936 VanDerWaalsContact C-N 3.32Å; S934-T937 PolarHBondContact O-OG1 2.85Å
935	R	84.6	Confident	85.4	Confident	55 Å²	55	55.1 Å²	55.1	21%	0.208	29%	0.287	C	S	.	.	H	α-helix	trans	-66.6	-37.4	175.1	-73.3	-175.6	178.9	-150.1	-0.1	110.6	T931 T932 T937 I939 E946 F947	T931-R935 HydrophobicContact CG2-CG 4.32Å; T931-R935 WeakPolarHBondContact O-CB 3.41Å; T931-R935 WeakPolarHBondContact O-CG 3.22Å; T931-R935 PolarHBondContact O-N 2.75Å; T932-R935 PolarHBondContact O-N 3.45Å; R935-T937 VanDerWaalsContact C-N 3.34Å; R935-T937 PolarHBondContact O-N 3.33Å; R935-I939 VanDerWaalsContact O-CB 3.31Å; R935-I939 WeakPolarHBondContact O-CB 3.32Å; R935-I939 PolarHBondContact O-N 3.16Å; R935-I939 VanDerWaalsContact O-N 3.1Å; R935-E946 IonicContact NH1-OE1 3.63Å; R935-F947 HydrophobicContact CB-CD2 4.22Å; R935-F947 HydrophobicContact CB-CE2 4.22Å
936	L	84.8	Confident	85.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.6	-20.4	-179.1	-79.2	175.8	0	0	0	114.9	T932 H933 S934 I939 F947 L975 Y979 K982 L985 M986	T932-L936 HydrophobicContact CG2-CD1 3.91Å; T932-L936 HydrophobicContact CG2-CG 4.41Å; T932-L936 VanDerWaalsContact O-CB 3.28Å; T932-L936 WeakPolarHBondContact O-CB 3.39Å; T932-L936 VanDerWaalsContact O-CG 3.25Å; T932-L936 WeakPolarHBondContact O-CG 3.29Å; T932-L936 PolarHBondContact O-N 3.07Å; H933-L936 PolarHBondContact O-N 3.33Å; S934-L936 VanDerWaalsContact C-N 3.32Å; L936-I939 HydrophobicContact CD2-CG2 4.11Å; L936-F947 HydrophobicContact CD1-CE2 4.47Å; L936-F947 HydrophobicContact CD1-CZ 3.79Å; L936-F947 HydrophobicContact CD2-CE1 3.74Å; L936-F947 HydrophobicContact CD2-CE2 3.9Å; L936-F947 HydrophobicContact CD2-CZ 3.39Å; L936-F947 HydrophobicContact CG-CE1 4.27Å; L936-F947 HydrophobicContact CG-CE2 3.73Å; L936-F947 HydrophobicContact CG-CZ 3.42Å; L936-F947 VanDerWaalsContact CG-CZ 3.42Å; L936-L975 HydrophobicContact CD1-CD1 4.49Å; L936-L975 HydrophobicContact CD1-CD2 3.62Å; L936-Y979 HydrophobicContact CB-CD1 4.23Å; L936-Y979 HydrophobicContact CB-CD2 4.4Å; L936-Y979 HydrophobicContact CB-CE1 3.9Å; L936-Y979 HydrophobicContact CB-CE2 4.09Å; L936-Y979 HydrophobicContact CB-CG 4.46Å; L936-Y979 HydrophobicContact CD1-CD2 3.68Å; L936-Y979 HydrophobicContact CD1-CE2 3.68Å; L936-Y979 HydrophobicContact CD1-CG 4.27Å; L936-K982 WeakPolarHBondContact O-CE 3.37Å; L936-K982 PolarHBondContact O-NZ 3.11Å; L936-L985 HydrophobicContact CD2-CD2 3.47Å; L936-L985 VanDerWaalsContact CD2-CD2 3.47Å; L936-M986 HydrophobicContact CD2-CE 4.32Å
937	T	81.3	Confident	85.4	Confident	71 Å²	71	58.4 Å²	58.4	44%	0.436	30%	0.296	S	S	.	.	H	α-helix	trans	-65.1	-48.9	176	51.6	0	0	0	0	111.2	H933 S934 R935 K982	H933-T937 PolarHBondContact O-N 2.88Å; S934-T937 PolarHBondContact O-OG1 2.85Å; R935-T937 VanDerWaalsContact C-N 3.34Å; R935-T937 PolarHBondContact O-N 3.33Å; T937-K982 PolarHBondContact O-NZ 2.55Å; T937-K982 VanDerWaalsContact O-NZ 3.11Å
938	H	76.1	Confident	85.4	Confident	176 Å²	176	58.5 Å²	58.5	82%	0.815	30%	0.296	S	S	*	.	H	α-helix	trans	-109.8	10.9	-173.8	-60.9	-73.6	0	0	0	115.5	S940	H938-S940 PolarHBondContact O-N 3.29Å
939	I	85.2	Confident	85.3	Confident	23 Å²	23	63.4 Å²	63.4	12%	0.118	32%	0.319	C	S	.	.			trans	-61.5	133.9	-179.1	-167.8	166.2	0	0	0	113.6	R935 L936 H943 Y944 F947 K982 L985	R935-I939 VanDerWaalsContact O-CB 3.31Å; R935-I939 WeakPolarHBondContact O-CB 3.32Å; R935-I939 PolarHBondContact O-N 3.16Å; R935-I939 VanDerWaalsContact O-N 3.1Å; L936-I939 HydrophobicContact CD2-CG2 4.11Å; I939-H943 HydrophobicContact CG1-CB 4.15Å; I939-Y944 HydrophobicContact CD1-CD1 3.92Å; I939-Y944 HydrophobicContact CD1-CE1 4.33Å; I939-Y944 HydrophobicContact CG1-CD1 3.99Å; I939-Y944 HydrophobicContact CG1-CE1 4.07Å; I939-Y944 HydrophobicContact CG2-CE1 4.38Å; I939-F947 HydrophobicContact CD1-CB 3.48Å; I939-F947 VanDerWaalsContact CD1-CB 3.48Å; I939-F947 HydrophobicContact CD1-CD1 4.23Å; I939-F947 HydrophobicContact CD1-CD2 3.92Å; I939-F947 HydrophobicContact CD1-CG 3.6Å; I939-K982 HydrophobicContact CG2-CD 3.92Å; I939-K982 VanDerWaalsContact CG2-NZ 3.35Å; I939-L985 HydrophobicContact CD1-CD2 4.01Å; I939-L985 HydrophobicContact CG2-CD2 3.94Å
940	S	85.4	Confident	85.3	Confident	42 Å²	42	61.6 Å²	61.6	29%	0.294	31%	0.309	S	S	.	.			trans	-103	157.9	173.5	71.9	0	0	0	0	112.1	H938 R942 H943 Y944	H938-S940 PolarHBondContact O-N 3.29Å; S940-R942 PolarHBondContact O-N 3.19Å; S940-H943 PolarHBondContact O-N 3.45Å; S940-H943 PolarHBondContact OG-ND1 2.61Å; S940-Y944 WeakPolarHBondContact O-CD1 3.48Å
941	P	83.8	Confident	85.3	Confident	90 Å²	90	57.8 Å²	57.8	58%	0.584	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-53.9	-28.6	-179.4	-28.1	35.7	0	0	0	116.4	H943 Y944	P941-H943 VanDerWaalsContact C-N 3.26Å; P941-H943 PolarHBondContact O-N 3.15Å; P941-Y944 HydrophobicContact CB-CD2 4.46Å; P941-Y944 HydrophobicContact CB-CE2 4.1Å; P941-Y944 HydrophobicContact CG-CE2 4.45Å; P941-Y944 PolarHBondContact O-N 2.83Å
942	R	84.4	Confident	85.3	Confident	231 Å²	231	58.5 Å²	58.5	87%	0.872	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-66.8	-23.9	178	-64.5	-177.6	-179.8	174.2	-0.3	113.9	S940	S940-R942 PolarHBondContact O-N 3.19Å
943	H	85.3	Confident	85.3	Confident	95 Å²	95	63.8 Å²	63.8	44%	0.44	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-100.3	8.9	-176.7	-57.9	113.3	0	0	0	112.7	I939 S940 P941 E946 F947	I939-H943 HydrophobicContact CG1-CB 4.15Å; S940-H943 PolarHBondContact O-N 3.45Å; S940-H943 PolarHBondContact OG-ND1 2.61Å; P941-H943 VanDerWaalsContact C-N 3.26Å; P941-H943 PolarHBondContact O-N 3.15Å; H943-E946 IonicContact CD2-OE2 3.19Å; H943-F947 WeakPolarHBondContact O-CB 3.4Å; H943-F947 PolarHBondContact O-N 2.74Å
944	Y	89.3	Confident	85.2	Confident	28 Å²	28	61.8 Å²	61.8	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-41.1	-177.6	-72.5	-2.6	0	0	0	112.4	I939 S940 P941 F947 I948 K984 L985 L988	I939-Y944 HydrophobicContact CD1-CD1 3.92Å; I939-Y944 HydrophobicContact CD1-CE1 4.33Å; I939-Y944 HydrophobicContact CG1-CD1 3.99Å; I939-Y944 HydrophobicContact CG1-CE1 4.07Å; I939-Y944 HydrophobicContact CG2-CE1 4.38Å; S940-Y944 WeakPolarHBondContact O-CD1 3.48Å; P941-Y944 HydrophobicContact CB-CD2 4.46Å; P941-Y944 HydrophobicContact CB-CE2 4.1Å; P941-Y944 HydrophobicContact CG-CE2 4.45Å; P941-Y944 PolarHBondContact O-N 2.83Å; Y944-F947 PolarHBondContact O-N 3.21Å; Y944-I948 WeakPolarHBondContact O-CG1 3.35Å; Y944-I948 PolarHBondContact O-N 3.22Å; Y944-K984 HydrophobicContact CE2-CB 4.15Å; Y944-K984 HydrophobicContact CE2-CG 4.25Å; Y944-L985 HydrophobicContact CD1-CB 4.22Å; Y944-L985 HydrophobicContact CD1-CD1 3.71Å; Y944-L985 HydrophobicContact CD1-CD2 4.13Å; Y944-L985 HydrophobicContact CD1-CG 4.24Å; Y944-L985 HydrophobicContact CD2-CB 4.2Å; Y944-L985 HydrophobicContact CD2-CD1 4.28Å; Y944-L985 HydrophobicContact CE1-CB 3.91Å; Y944-L985 HydrophobicContact CE1-CD1 4.23Å; Y944-L985 HydrophobicContact CE1-CD2 3.95Å; Y944-L985 HydrophobicContact CE1-CG 4.26Å; Y944-L985 HydrophobicContact CE2-CB 3.91Å; Y944-L985 HydrophobicContact CG-CB 4.36Å; Y944-L985 HydrophobicContact CG-CD1 3.73Å; Y944-L988 HydrophobicContact CD2-CD1 4.16Å
945	S	85.6	Confident	85.3	Confident	79 Å²	79	64.6 Å²	64.6	55%	0.552	31%	0.313	S	S	*	.	H	α-helix	trans	-60.5	-50.9	177.2	47.4	0	0	0	0	111.9	F947 I948 E949	S945-F947 VanDerWaalsContact C-N 3.33Å; S945-F947 PolarHBondContact O-N 3.12Å; S945-I948 PolarHBondContact O-N 3.32Å; S945-E949 PolarHBondContact O-N 2.87Å
946	E	85.5	Confident	85.3	Confident	95 Å²	95	67 Å²	67	44%	0.444	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-40.2	178.6	-167.7	-162.9	150	0	0	112.2	R935 H943 E949 F950	R935-E946 IonicContact NH1-OE1 3.63Å; H943-E946 IonicContact CD2-OE2 3.19Å; E946-E949 PolarHBondContact O-N 3.31Å; E946-F950 WeakPolarHBondContact O-CB 3.31Å; E946-F950 PolarHBondContact O-N 3.47Å
947	F	87.5	Confident	85.3	Confident	5 Å²	5	67 Å²	67	2%	0.022	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-38.6	177	177.9	-95.3	0	0	0	112.8	T932 R935 L936 I939 H943 Y944 S945 E949 F950 L951 L985 V989	T932-F947 HydrophobicContact CG2-CE2 3.88Å; T932-F947 HydrophobicContact CG2-CZ 3.61Å; R935-F947 HydrophobicContact CB-CD2 4.22Å; R935-F947 HydrophobicContact CB-CE2 4.22Å; L936-F947 HydrophobicContact CD1-CE2 4.47Å; L936-F947 HydrophobicContact CD1-CZ 3.79Å; L936-F947 HydrophobicContact CD2-CE1 3.74Å; L936-F947 HydrophobicContact CD2-CE2 3.9Å; L936-F947 HydrophobicContact CD2-CZ 3.39Å; L936-F947 HydrophobicContact CG-CE1 4.27Å; L936-F947 HydrophobicContact CG-CE2 3.73Å; L936-F947 HydrophobicContact CG-CZ 3.42Å; L936-F947 VanDerWaalsContact CG-CZ 3.42Å; I939-F947 HydrophobicContact CD1-CB 3.48Å; I939-F947 VanDerWaalsContact CD1-CB 3.48Å; I939-F947 HydrophobicContact CD1-CD1 4.23Å; I939-F947 HydrophobicContact CD1-CD2 3.92Å; I939-F947 HydrophobicContact CD1-CG 3.6Å; H943-F947 WeakPolarHBondContact O-CB 3.4Å; H943-F947 PolarHBondContact O-N 2.74Å; Y944-F947 PolarHBondContact O-N 3.21Å; S945-F947 VanDerWaalsContact C-N 3.33Å; S945-F947 PolarHBondContact O-N 3.12Å; F947-E949 VanDerWaalsContact C-N 3.34Å; F947-F950 WeakPolarHBondContact O-CB 3.43Å; F947-F950 PolarHBondContact O-N 3.15Å; F947-L951 HydrophobicContact CD1-CD1 4.09Å; F947-L951 HydrophobicContact CD1-CG 4.48Å; F947-L951 HydrophobicContact CE1-CD1 3.42Å; F947-L951 VanDerWaalsContact CE1-CD1 3.42Å; F947-L951 HydrophobicContact CE1-CG 3.98Å; F947-L951 HydrophobicContact CZ-CD1 3.9Å; F947-L951 HydrophobicContact CZ-CD2 4.46Å; F947-L951 HydrophobicContact CZ-CG 4.11Å; F947-L951 PolarHBondContact O-N 3.2Å; F947-L985 HydrophobicContact CD1-CD1 3.9Å; F947-L985 HydrophobicContact CD1-CD2 4.23Å; F947-L985 HydrophobicContact CD1-CG 4.48Å; F947-L985 HydrophobicContact CE1-CD1 4.44Å; F947-L985 HydrophobicContact CE1-CD2 4.26Å; F947-V989 HydrophobicContact CE1-CG2 4.49Å
948	I	87.7	Confident	85.4	Confident	9 Å²	9	63.7 Å²	63.7	5%	0.046	31%	0.305	C	S	.	.	H	α-helix	trans	-67.4	-38.1	176.5	-65.8	-72.3	0	0	0	110.3	Y944 S945 L951 G952 L985 L988 V989 R992 F993	Y944-I948 WeakPolarHBondContact O-CG1 3.35Å; Y944-I948 PolarHBondContact O-N 3.22Å; S945-I948 PolarHBondContact O-N 3.32Å; I948-L951 PolarHBondContact O-N 2.82Å; I948-G952 PolarHBondContact O-N 3.21Å; I948-L985 HydrophobicContact CD1-CD1 4.28Å; I948-L985 HydrophobicContact CG1-CD1 4.4Å; I948-L988 HydrophobicContact CD1-CB 3.93Å; I948-L988 HydrophobicContact CG1-CB 4.21Å; I948-V989 HydrophobicContact CD1-CB 4.2Å; I948-V989 HydrophobicContact CD1-CG2 3.45Å; I948-V989 VanDerWaalsContact CD1-CG2 3.45Å; I948-R992 HydrophobicContact CG2-CB 4.24Å; I948-R992 HydrophobicContact CG2-CG 4.28Å; I948-R992 VanDerWaalsContact CG2-NH1 3.33Å; I948-F993 HydrophobicContact CG2-CE2 4Å; I948-F993 HydrophobicContact CG2-CZ 4.49Å; I948-F993 WeakPolarHBondContact O-CZ 3.19Å
949	E	85.9	Confident	85.8	Confident	107 Å²	107	59.9 Å²	59.9	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-40.2	171.6	-71.4	-177.7	177.1	0	0	112.5	S945 E946 F947 L951 G952 K953	S945-E949 PolarHBondContact O-N 2.87Å; E946-E949 PolarHBondContact O-N 3.31Å; F947-E949 VanDerWaalsContact C-N 3.34Å; E949-L951 PolarHBondContact O-N 3.49Å; E949-G952 WeakPolarHBondContact O-CA 3.33Å; E949-G952 PolarHBondContact O-N 3.45Å; E949-G952 VanDerWaalsContact O-N 3.08Å; E949-K953 PolarHBondContact O-N 3.24Å
950	F	87.6	Confident	85.6	Confident	11 Å²	11	61.8 Å²	61.8	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-44.5	173.8	174.2	-96.6	0	0	0	112.1	A879 T880 Y928 T931 E946 F947 G952 K953 A954	A879-F950 HydrophobicContact CB-CZ 4.44Å; T880-F950 HydrophobicContact CG2-CD2 4.38Å; T880-F950 HydrophobicContact CG2-CE2 4.16Å; Y928-F950 HydrophobicContact CD1-CE1 4.05Å; Y928-F950 AromaticContact CD1-CE2 3.88Å; Y928-F950 HydrophobicContact CD1-CE2 3.88Å; Y928-F950 AromaticContact CD1-CZ 3.49Å; Y928-F950 HydrophobicContact CD1-CZ 3.49Å; Y928-F950 VanDerWaalsContact CD1-CZ 3.49Å; Y928-F950 HydrophobicContact CE1-CD2 4.33Å; Y928-F950 AromaticContact CE1-CE2 3.71Å; Y928-F950 HydrophobicContact CE1-CE2 3.71Å; Y928-F950 AromaticContact CE1-CZ 3.84Å; Y928-F950 HydrophobicContact CE1-CZ 3.84Å; T931-F950 HydrophobicContact CG2-CE1 4.36Å; T931-F950 HydrophobicContact CG2-CE2 4.26Å; T931-F950 HydrophobicContact CG2-CZ 3.68Å; E946-F950 WeakPolarHBondContact O-CB 3.31Å; E946-F950 PolarHBondContact O-N 3.47Å; F947-F950 WeakPolarHBondContact O-CB 3.43Å; F947-F950 PolarHBondContact O-N 3.15Å; F950-G952 VanDerWaalsContact C-N 3.26Å; F950-G952 PolarHBondContact O-N 3.47Å; F950-K953 PolarHBondContact O-N 3.38Å; F950-A954 PolarHBondContact O-N 2.81Å
951	L	87.2	Confident	85.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-31.8	172.8	-76.1	179.5	0	0	0	112.7	T932 F947 I948 E949 A954 R955 F971 I972 L975 V989 F993	T932-L951 HydrophobicContact CG2-CD2 3.83Å; F947-L951 HydrophobicContact CD1-CD1 4.09Å; F947-L951 HydrophobicContact CD1-CG 4.48Å; F947-L951 HydrophobicContact CE1-CD1 3.42Å; F947-L951 VanDerWaalsContact CE1-CD1 3.42Å; F947-L951 HydrophobicContact CE1-CG 3.98Å; F947-L951 HydrophobicContact CZ-CD1 3.9Å; F947-L951 HydrophobicContact CZ-CD2 4.46Å; F947-L951 HydrophobicContact CZ-CG 4.11Å; F947-L951 PolarHBondContact O-N 3.2Å; I948-L951 PolarHBondContact O-N 2.82Å; E949-L951 PolarHBondContact O-N 3.49Å; L951-A954 WeakPolarHBondContact O-CB 3.43Å; L951-A954 PolarHBondContact O-N 3.05Å; L951-R955 PolarHBondContact O-N 2.99Å; L951-F971 HydrophobicContact CD2-CE1 4.15Å; L951-I972 HydrophobicContact CD1-CD1 4.48Å; L951-L975 HydrophobicContact CD2-CD1 4.37Å; L951-V989 HydrophobicContact CD1-CG1 4.43Å; L951-V989 HydrophobicContact CD1-CG2 4.02Å; L951-F993 HydrophobicContact CB-CD2 4.45Å; L951-F993 HydrophobicContact CB-CE2 3.72Å; L951-F993 HydrophobicContact CB-CZ 4.07Å
952	G	86.3	Confident	85	Confident	16 Å²	16	64.2 Å²	64.2	17%	0.165	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-46.1	171.7	0	0	0	0	0	112.1	I948 E949 F950 A954 R955 E956 F993	I948-G952 PolarHBondContact O-N 3.21Å; E949-G952 WeakPolarHBondContact O-CA 3.33Å; E949-G952 PolarHBondContact O-N 3.45Å; E949-G952 VanDerWaalsContact O-N 3.08Å; F950-G952 VanDerWaalsContact C-N 3.26Å; F950-G952 PolarHBondContact O-N 3.47Å; G952-A954 VanDerWaalsContact C-N 3.35Å; G952-R955 WeakPolarHBondContact O-CB 3.41Å; G952-R955 PolarHBondContact O-N 3.48Å; G952-E956 PolarHBondContact O-N 2.99Å; G952-E956 VanDerWaalsContact O-N 3.15Å; G952-F993 VanDerWaalsContact N-CZ 3.34Å
953	K	85.3	Confident	84.8	Confident	112 Å²	112	56.3 Å²	56.3	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-66.3	-35.3	174.9	-65.4	178.2	-178.5	176.6	0	112.6	E949 F950 E956 T957	E949-K953 PolarHBondContact O-N 3.24Å; F950-K953 PolarHBondContact O-N 3.38Å; K953-E956 PolarHBondContact O-N 3.33Å; K953-T957 PolarHBondContact O-N 3.36Å; K953-T957 PolarHBondContact O-OG1 3.12Å; K953-T957 VanDerWaalsContact O-OG1 3.08Å
954	A	85.9	Confident	84.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-48	172.2	0	0	0	0	0	110.6	Y928 F950 L951 G952 E956 T957 F958 F968	Y928-A954 HydrophobicContact CD1-CB 3.44Å; Y928-A954 VanDerWaalsContact CD1-CB 3.44Å; Y928-A954 HydrophobicContact CD2-CB 4.45Å; Y928-A954 HydrophobicContact CE1-CB 3.95Å; Y928-A954 HydrophobicContact CG-CB 3.74Å; F950-A954 PolarHBondContact O-N 2.81Å; L951-A954 WeakPolarHBondContact O-CB 3.43Å; L951-A954 PolarHBondContact O-N 3.05Å; G952-A954 VanDerWaalsContact C-N 3.35Å; A954-E956 VanDerWaalsContact C-N 3.34Å; A954-E956 PolarHBondContact O-N 2.89Å; A954-T957 WeakPolarHBondContact O-CB 3.17Å; A954-T957 PolarHBondContact O-N 3.5Å; A954-F958 VanDerWaalsContact O-CD2 3.24Å; A954-F958 WeakPolarHBondContact O-CD2 3.27Å; A954-F958 PolarHBondContact O-N 3.27Å; A954-F968 HydrophobicContact CB-CE2 4.4Å
955	R	86.3	Confident	84.3	Confident	112 Å²	112	55.7 Å²	55.7	42%	0.423	27%	0.271	S	S	.	.	H	α-helix	trans	-54.8	-48.1	177	-172.5	-179.9	173.6	-139.2	1	111.9	L951 G952 T957 F958 M959 F968	L951-R955 PolarHBondContact O-N 2.99Å; G952-R955 WeakPolarHBondContact O-CB 3.41Å; G952-R955 PolarHBondContact O-N 3.48Å; R955-T957 PolarHBondContact O-N 3.47Å; R955-F958 PolarHBondContact O-N 2.83Å; R955-M959 VanDerWaalsContact O-CG 3.28Å; R955-M959 WeakPolarHBondContact O-CG 3.44Å; R955-M959 PolarHBondContact O-N 3.43Å; R955-F968 HydrophobicContact CB-CD1 4.4Å; R955-F968 HydrophobicContact CB-CD2 4.23Å; R955-F968 HydrophobicContact CB-CE1 3.9Å; R955-F968 HydrophobicContact CB-CE2 3.72Å; R955-F968 HydrophobicContact CB-CZ 3.53Å; R955-F968 HydrophobicContact CG-CD1 3.98Å; R955-F968 HydrophobicContact CG-CE1 3.77Å; R955-F968 HydrophobicContact CG-CE2 4.33Å; R955-F968 HydrophobicContact CG-CG 4.35Å; R955-F968 HydrophobicContact CG-CZ 3.97Å
956	E	85.2	Confident	84.2	Confident	105 Å²	105	57 Å²	57	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-56.2	-38.4	176.9	-70.5	178.5	-173.1	0	0	112.5	R887 G952 K953 A954	R887-E956 IonicContact CZ-OE2 3.43Å; R887-E956 IonicContact NH1-OE2 3.49Å; R887-E956 IonicContact NH2-OE2 3.84Å; R887-E956 PolarHBondContact NH2-OE2 2.95Å; G952-E956 PolarHBondContact O-N 2.99Å; G952-E956 VanDerWaalsContact O-N 3.15Å; K953-E956 PolarHBondContact O-N 3.33Å; A954-E956 VanDerWaalsContact C-N 3.34Å; A954-E956 PolarHBondContact O-N 2.89Å
957	T	84	Confident	84.1	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-74.3	-39.8	179.6	-52.5	0	0	0	0	112	S883 L886 T924 Y928 K953 A954 R955 M959 M960	S883-T957 PolarHBondContact OG-OG1 3.25Å; L886-T957 HydrophobicContact CD2-CG2 4.41Å; T924-T957 HydrophobicContact CG2-CG2 3.66Å; Y928-T957 HydrophobicContact CD2-CG2 4.33Å; Y928-T957 HydrophobicContact CE2-CG2 4Å; Y928-T957 WeakPolarHBondContact CE2-OG1 3.39Å; K953-T957 PolarHBondContact O-N 3.36Å; K953-T957 PolarHBondContact O-OG1 3.12Å; K953-T957 VanDerWaalsContact O-OG1 3.08Å; A954-T957 WeakPolarHBondContact O-CB 3.17Å; A954-T957 PolarHBondContact O-N 3.5Å; R955-T957 PolarHBondContact O-N 3.47Å; T957-M959 VanDerWaalsContact C-N 3.3Å; T957-M959 PolarHBondContact O-N 2.89Å; T957-M960 VanDerWaalsContact O-CB 3.31Å; T957-M960 WeakPolarHBondContact O-CB 3.06Å; T957-M960 PolarHBondContact O-N 3.11Å; T957-M960 VanDerWaalsContact O-N 3.16Å
958	F	84.9	Confident	84.1	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-42.7	174.5	-87.1	-115.8	0	0	0	110.9	I925 I929 A954 R955 M960 A961 G964 Q967 F968 F971	I925-F958 HydrophobicContact CB-CE2 4.4Å; I925-F958 HydrophobicContact CG1-CD2 4.21Å; I925-F958 HydrophobicContact CG1-CE2 4.4Å; I925-F958 HydrophobicContact CG1-CG 4.42Å; I925-F958 HydrophobicContact CG2-CD1 4.28Å; I925-F958 HydrophobicContact CG2-CD2 4.43Å; I925-F958 HydrophobicContact CG2-CE1 3.73Å; I925-F958 HydrophobicContact CG2-CE2 3.91Å; I925-F958 HydrophobicContact CG2-CZ 3.56Å; I929-F958 HydrophobicContact CD1-CZ 4.02Å; I929-F958 HydrophobicContact CG1-CZ 3.88Å; A954-F958 VanDerWaalsContact O-CD2 3.24Å; A954-F958 WeakPolarHBondContact O-CD2 3.27Å; A954-F958 PolarHBondContact O-N 3.27Å; R955-F958 PolarHBondContact O-N 2.83Å; F958-M960 PolarHBondContact O-N 3.39Å; F958-A961 PolarHBondContact O-N 2.88Å; F958-G964 VanDerWaalsContact O-CA 3.24Å; F958-G964 WeakPolarHBondContact O-CA 3.43Å; F958-Q967 HydrophobicContact CD1-CB 3.95Å; F958-Q967 HydrophobicContact CE1-CB 3.99Å; F958-F968 HydrophobicContact CB-CB 4.04Å; F958-F968 HydrophobicContact CB-CD2 4.21Å; F958-F968 HydrophobicContact CB-CG 4.49Å; F958-F968 HydrophobicContact CD1-CB 3.69Å; F958-F968 HydrophobicContact CD1-CD2 4.13Å; F958-F968 HydrophobicContact CD1-CG 4.43Å; F958-F968 HydrophobicContact CD2-CD2 4.08Å; F958-F968 HydrophobicContact CE1-CB 4.33Å; F958-F968 HydrophobicContact CE1-CD2 4.45Å; F958-F968 HydrophobicContact CE2-CD2 4.39Å; F958-F968 HydrophobicContact CG-CB 4.03Å; F958-F968 AromaticContact CG-CD2 3.89Å; F958-F968 HydrophobicContact CG-CD2 3.89Å; F958-F968 HydrophobicContact CG-CG 4.43Å; F958-F971 HydrophobicContact CZ-CD1 4.3Å
959	M	84.1	Confident	84	Confident	97 Å²	97	57.9 Å²	57.9	48%	0.478	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-11.6	178.9	-66.4	-60.3	-65.1	0	0	114.3	R955 T957 A961 H965	R955-M959 VanDerWaalsContact O-CG 3.28Å; R955-M959 WeakPolarHBondContact O-CG 3.44Å; R955-M959 PolarHBondContact O-N 3.43Å; T957-M959 VanDerWaalsContact C-N 3.3Å; T957-M959 PolarHBondContact O-N 2.89Å; M959-A961 VanDerWaalsContact C-N 3.3Å; M959-H965 HydrophobicContact CE-CB 4.42Å; M959-H965 HydrophobicContact SD-CB 3.89Å
960	M	80.8	Confident	84	Confident	62 Å²	62	58.9 Å²	58.9	31%	0.305	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.3	172.9	-57.6	-176.6	123.7	0	0	113.1	L886 R887 L912 L921 T957 F958	L886-M960 HydrophobicContact CD2-SD 4.17Å; R887-M960 HydrophobicContact CG-CE 3.89Å; L912-M960 HydrophobicContact CD2-CB 3.86Å; L921-M960 HydrophobicContact CD1-CB 3.96Å; T957-M960 VanDerWaalsContact O-CB 3.31Å; T957-M960 WeakPolarHBondContact O-CB 3.06Å; T957-M960 PolarHBondContact O-N 3.11Å; T957-M960 VanDerWaalsContact O-N 3.16Å; F958-M960 PolarHBondContact O-N 3.39Å
961	A	80.1	Confident	83.9	Confident	7 Å²	7	59 Å²	59	6%	0.058	28%	0.284	C	S	.	.	S	Bend	trans	-91.4	144.4	173.8	0	0	0	0	0	111.5	L921 I925 F958 M959 D963 G964	L921-A961 HydrophobicContact CD2-CB 3.82Å; L921-A961 HydrophobicContact CG-CB 4.44Å; I925-A961 HydrophobicContact CD1-CB 4.14Å; F958-A961 PolarHBondContact O-N 2.88Å; M959-A961 VanDerWaalsContact C-N 3.3Å; A961-D963 PolarHBondContact O-N 2.88Å; A961-G964 PolarHBondContact O-N 3.21Å
962	H	76	Confident	84	Confident	176 Å²	176	59.1 Å²	59.1	82%	0.815	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.8	-179.6	-167.3	62.8	0	0	0	113.9
963	D	81.6	Confident	83.9	Confident	65 Å²	65	62.3 Å²	62.3	35%	0.348	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	9.1	178.4	60.8	-36.2	0	0	0	113.7	R918 A961 H965 I966 Q967	R918-D963 IonicContact NH2-OD1 3.27Å; R918-D963 PolarHBondContact NH2-OD1 2.87Å; A961-D963 PolarHBondContact O-N 2.88Å; D963-H965 PolarHBondContact O-N 2.97Å; D963-I966 PolarHBondContact O-N 3Å; D963-I966 VanDerWaalsContact O-N 3.12Å; D963-Q967 VanDerWaalsContact CG-NE2 3.28Å; D963-Q967 PolarHBondContact O-N 3.33Å; D963-Q967 PolarHBondContact OD1-NE2 3.31Å; D963-Q967 PolarHBondContact OD2-NE2 2.94Å
964	G	81.1	Confident	83.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-31.4	-169.7	0	0	0	0	0	116	F958 A961 I966 Q967 F968	F958-G964 VanDerWaalsContact O-CA 3.24Å; F958-G964 WeakPolarHBondContact O-CA 3.43Å; A961-G964 PolarHBondContact O-N 3.21Å; G964-I966 VanDerWaalsContact C-N 3.29Å; G964-I966 PolarHBondContact O-N 3.45Å; G964-Q967 PolarHBondContact O-N 2.97Å; G964-F968 WeakPolarHBondContact O-CB 3.38Å; G964-F968 PolarHBondContact O-N 3.43Å
965	H	81.6	Confident	83.9	Confident	110 Å²	110	60.5 Å²	60.5	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-36.9	175.8	-172.5	-70	0	0	0	111.4	M959 D963 T969	M959-H965 HydrophobicContact CE-CB 4.42Å; M959-H965 HydrophobicContact SD-CB 3.89Å; D963-H965 PolarHBondContact O-N 2.97Å; H965-T969 PolarHBondContact O-N 3.49Å; H965-T969 PolarHBondContact O-OG1 3.14Å
966	I	83.8	Confident	83.6	Confident	106 Å²	106	57.8 Å²	57.8	54%	0.544	29%	0.285	S	S	.	.	H	α-helix	trans	-73.5	-45.3	179.2	-59.4	173.2	0	0	0	109.6	D963 G964 F968 T969 Q970	D963-I966 PolarHBondContact O-N 3Å; D963-I966 VanDerWaalsContact O-N 3.12Å; G964-I966 VanDerWaalsContact C-N 3.29Å; G964-I966 PolarHBondContact O-N 3.45Å; I966-F968 VanDerWaalsContact C-N 3.34Å; I966-F968 PolarHBondContact O-N 3.06Å; I966-T969 PolarHBondContact O-N 2.7Å; I966-Q970 WeakPolarHBondContact O-CG 3.43Å; I966-Q970 PolarHBondContact O-N 3.25Å; I966-Q970 VanDerWaalsContact O-N 3.11Å
967	Q	84.6	Confident	83.5	Confident	53 Å²	53	59.1 Å²	59.1	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-39.9	177.6	-64.8	-172	18.5	0	0	112.5	F958 D963 G964 F971	F958-Q967 HydrophobicContact CD1-CB 3.95Å; F958-Q967 HydrophobicContact CE1-CB 3.99Å; D963-Q967 VanDerWaalsContact CG-NE2 3.28Å; D963-Q967 PolarHBondContact O-N 3.33Å; D963-Q967 PolarHBondContact OD1-NE2 3.31Å; D963-Q967 PolarHBondContact OD2-NE2 2.94Å; G964-Q967 PolarHBondContact O-N 2.97Å; Q967-F971 WeakPolarHBondContact O-CB 3.45Å; Q967-F971 PolarHBondContact O-N 3.18Å
968	F	87.3	Confident	83.5	Confident	10 Å²	10	63.8 Å²	63.8	4%	0.044	32%	0.315	C	S	.	.	H	α-helix	trans	-67.9	-42	179.4	-172.2	-99.3	0	0	0	112.1	A954 R955 F958 G964 I966 F971 I972 F993	A954-F968 HydrophobicContact CB-CE2 4.4Å; R955-F968 HydrophobicContact CB-CD1 4.4Å; R955-F968 HydrophobicContact CB-CD2 4.23Å; R955-F968 HydrophobicContact CB-CE1 3.9Å; R955-F968 HydrophobicContact CB-CE2 3.72Å; R955-F968 HydrophobicContact CB-CZ 3.53Å; R955-F968 HydrophobicContact CG-CD1 3.98Å; R955-F968 HydrophobicContact CG-CE1 3.77Å; R955-F968 HydrophobicContact CG-CE2 4.33Å; R955-F968 HydrophobicContact CG-CG 4.35Å; R955-F968 HydrophobicContact CG-CZ 3.97Å; F958-F968 HydrophobicContact CB-CB 4.04Å; F958-F968 HydrophobicContact CB-CD2 4.21Å; F958-F968 HydrophobicContact CB-CG 4.49Å; F958-F968 HydrophobicContact CD1-CB 3.69Å; F958-F968 HydrophobicContact CD1-CD2 4.13Å; F958-F968 HydrophobicContact CD1-CG 4.43Å; F958-F968 HydrophobicContact CD2-CD2 4.08Å; F958-F968 HydrophobicContact CE1-CB 4.33Å; F958-F968 HydrophobicContact CE1-CD2 4.45Å; F958-F968 HydrophobicContact CE2-CD2 4.39Å; F958-F968 HydrophobicContact CG-CB 4.03Å; F958-F968 AromaticContact CG-CD2 3.89Å; F958-F968 HydrophobicContact CG-CD2 3.89Å; F958-F968 HydrophobicContact CG-CG 4.43Å; G964-F968 WeakPolarHBondContact O-CB 3.38Å; G964-F968 PolarHBondContact O-N 3.43Å; I966-F968 VanDerWaalsContact C-N 3.34Å; I966-F968 PolarHBondContact O-N 3.06Å; F968-F971 HydrophobicContact CD2-CD1 4.46Å; F968-F971 WeakPolarHBondContact O-CB 3.24Å; F968-F971 PolarHBondContact O-N 3.36Å; F968-I972 HydrophobicContact CD1-CG1 4.02Å; F968-I972 HydrophobicContact CE1-CD1 4.05Å; F968-I972 HydrophobicContact CE1-CG1 3.6Å; F968-I972 HydrophobicContact CE2-CD1 4.38Å; F968-I972 HydrophobicContact CE2-CG1 4.44Å; F968-I972 HydrophobicContact CZ-CD1 3.78Å; F968-I972 HydrophobicContact CZ-CG1 3.84Å; F968-I972 WeakPolarHBondContact O-CG1 3.31Å; F968-I972 PolarHBondContact O-N 3.43Å; F968-F993 HydrophobicContact CE1-CB 4.33Å; F968-F993 HydrophobicContact CE1-CD1 4.31Å; F968-F993 HydrophobicContact CE1-CG 4.43Å; F968-F993 HydrophobicContact CZ-CD1 4.39Å
969	T	84.7	Confident	83.4	Confident	66 Å²	66	65.5 Å²	65.5	41%	0.405	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-46.9	176.1	-56.7	0	0	0	0	111.2	H965 I966 F971 I972 D973	H965-T969 PolarHBondContact O-N 3.49Å; H965-T969 PolarHBondContact O-OG1 3.14Å; I966-T969 PolarHBondContact O-N 2.7Å; T969-F971 VanDerWaalsContact C-N 3.3Å; T969-F971 PolarHBondContact O-N 3.47Å; T969-I972 PolarHBondContact O-N 3.5Å; T969-D973 PolarHBondContact O-N 2.93Å
970	Q	85.3	Confident	83	Confident	128 Å²	128	67.8 Å²	67.8	60%	0.598	33%	0.33	S	S	*	.	H	α-helix	trans	-60.4	-39.3	175.8	-71.1	176	-5.8	0	0	112.2	I966 D973 N974	I966-Q970 WeakPolarHBondContact O-CG 3.43Å; I966-Q970 PolarHBondContact O-N 3.25Å; I966-Q970 VanDerWaalsContact O-N 3.11Å; Q970-D973 PolarHBondContact O-N 3.4Å; Q970-N974 WeakPolarHBondContact O-CB 3Å; Q970-N974 PolarHBondContact O-N 2.76Å
971	F	87.1	Confident	82.8	Confident	12 Å²	12	68.6 Å²	68.6	5%	0.053	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-46.3	176.2	173.4	-121.4	0	0	0	112.3	I929 T932 H933 L951 F958 Q967 F968 T969 D973 N974 L975	I929-F971 HydrophobicContact CB-CD2 4.46Å; I929-F971 HydrophobicContact CB-CE2 3.98Å; I929-F971 HydrophobicContact CB-CZ 4.35Å; I929-F971 HydrophobicContact CD1-CD2 4.49Å; I929-F971 HydrophobicContact CG1-CD2 3.85Å; I929-F971 HydrophobicContact CG1-CE2 3.79Å; I929-F971 HydrophobicContact CG1-CG 4.27Å; I929-F971 HydrophobicContact CG1-CZ 4.12Å; I929-F971 HydrophobicContact CG2-CD2 4.19Å; I929-F971 HydrophobicContact CG2-CE2 3.76Å; T932-F971 HydrophobicContact CG2-CE1 4.34Å; T932-F971 HydrophobicContact CG2-CZ 3.72Å; H933-F971 AromaticContact NE2-CE2 3.98Å; L951-F971 HydrophobicContact CD2-CE1 4.15Å; F958-F971 HydrophobicContact CZ-CD1 4.3Å; Q967-F971 WeakPolarHBondContact O-CB 3.45Å; Q967-F971 PolarHBondContact O-N 3.18Å; F968-F971 HydrophobicContact CD2-CD1 4.46Å; F968-F971 WeakPolarHBondContact O-CB 3.24Å; F968-F971 PolarHBondContact O-N 3.36Å; T969-F971 VanDerWaalsContact C-N 3.3Å; T969-F971 PolarHBondContact O-N 3.47Å; F971-D973 PolarHBondContact O-N 2.9Å; F971-N974 WeakPolarHBondContact O-CB 3.39Å; F971-N974 PolarHBondContact O-N 2.88Å; F971-L975 HydrophobicContact CD1-CD1 4.33Å; F971-L975 HydrophobicContact CD2-CG 4.32Å; F971-L975 HydrophobicContact CE1-CD1 3.82Å; F971-L975 HydrophobicContact CE2-CD1 4.09Å; F971-L975 HydrophobicContact CE2-CD2 3.92Å; F971-L975 HydrophobicContact CE2-CG 3.94Å; F971-L975 HydrophobicContact CZ-CD1 3.7Å; F971-L975 HydrophobicContact CZ-CD2 4.14Å; F971-L975 HydrophobicContact CZ-CG 4.07Å; F971-L975 WeakPolarHBondContact O-CG 3.49Å; F971-L975 PolarHBondContact O-N 3.24Å
972	I	87.8	Confident	82.9	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-41.9	176.8	-67.9	-62.4	0	0	0	111.5	L951 F968 T969 N974 L975 K976 V989	L951-I972 HydrophobicContact CD1-CD1 4.48Å; F968-I972 HydrophobicContact CD1-CG1 4.02Å; F968-I972 HydrophobicContact CE1-CD1 4.05Å; F968-I972 HydrophobicContact CE1-CG1 3.6Å; F968-I972 HydrophobicContact CE2-CD1 4.38Å; F968-I972 HydrophobicContact CE2-CG1 4.44Å; F968-I972 HydrophobicContact CZ-CD1 3.78Å; F968-I972 HydrophobicContact CZ-CG1 3.84Å; F968-I972 WeakPolarHBondContact O-CG1 3.31Å; F968-I972 PolarHBondContact O-N 3.43Å; T969-I972 PolarHBondContact O-N 3.5Å; I972-N974 VanDerWaalsContact C-N 3.33Å; I972-N974 PolarHBondContact O-N 3.34Å; I972-L975 HydrophobicContact CD1-CD1 4.27Å; I972-L975 PolarHBondContact O-N 3.08Å; I972-K976 HydrophobicContact CG2-CD 4.28Å; I972-K976 WeakPolarHBondContact O-CG 3.22Å; I972-K976 PolarHBondContact O-N 2.69Å; I972-V989 HydrophobicContact CD1-CG1 4.13Å; I972-V989 HydrophobicContact CG2-CG1 4.12Å
973	D	84.9	Confident	83.2	Confident	83 Å²	83	70.5 Å²	70.5	44%	0.444	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-38.1	177.2	-72.4	-23	0	0	0	112.1	T969 Q970 F971 K976 Q977	T969-D973 PolarHBondContact O-N 2.93Å; Q970-D973 PolarHBondContact O-N 3.4Å; F971-D973 PolarHBondContact O-N 2.9Å; D973-K976 WeakPolarHBondContact O-CB 3.41Å; D973-K976 PolarHBondContact O-N 3.03Å; D973-K976 IonicContact OD1-NZ 3.89Å; D973-Q977 PolarHBondContact O-N 2.94Å
974	N	85.9	Confident	83.2	Confident	71 Å²	71	74.5 Å²	74.5	38%	0.38	37%	0.372	S	S	.	.	H	α-helix	trans	-64	-44.3	173.6	-168.3	-21.9	0	0	0	111.9	Q970 F971 I972 K976 Q977 I978	Q970-N974 WeakPolarHBondContact O-CB 3Å; Q970-N974 PolarHBondContact O-N 2.76Å; F971-N974 WeakPolarHBondContact O-CB 3.39Å; F971-N974 PolarHBondContact O-N 2.88Å; I972-N974 VanDerWaalsContact C-N 3.33Å; I972-N974 PolarHBondContact O-N 3.34Å; N974-K976 VanDerWaalsContact C-N 3.32Å; N974-K976 PolarHBondContact O-N 3.04Å; N974-Q977 PolarHBondContact O-N 3.43Å; N974-I978 PolarHBondContact O-N 3.19Å; N974-I978 WeakPolarHBondContact OD1-CD1 3.28Å; N974-I978 WeakPolarHBondContact OD1-CG1 3.36Å
975	L	84.6	Confident	83.4	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-58.7	-42.2	174.7	-68.7	179.1	0	0	0	112.3	T932 L936 L951 F971 I972 Q977 Y979	T932-L975 HydrophobicContact CG2-CD1 3.69Å; T932-L975 HydrophobicContact CG2-CD2 3.96Å; T932-L975 HydrophobicContact CG2-CG 4.48Å; L936-L975 HydrophobicContact CD1-CD1 4.49Å; L936-L975 HydrophobicContact CD1-CD2 3.62Å; L951-L975 HydrophobicContact CD2-CD1 4.37Å; F971-L975 HydrophobicContact CD1-CD1 4.33Å; F971-L975 HydrophobicContact CD2-CG 4.32Å; F971-L975 HydrophobicContact CE1-CD1 3.82Å; F971-L975 HydrophobicContact CE2-CD1 4.09Å; F971-L975 HydrophobicContact CE2-CD2 3.92Å; F971-L975 HydrophobicContact CE2-CG 3.94Å; F971-L975 HydrophobicContact CZ-CD1 3.7Å; F971-L975 HydrophobicContact CZ-CD2 4.14Å; F971-L975 HydrophobicContact CZ-CG 4.07Å; F971-L975 WeakPolarHBondContact O-CG 3.49Å; F971-L975 PolarHBondContact O-N 3.24Å; I972-L975 HydrophobicContact CD1-CD1 4.27Å; I972-L975 PolarHBondContact O-N 3.08Å; L975-Q977 VanDerWaalsContact C-N 3.26Å; L975-Q977 PolarHBondContact O-N 3Å; L975-Y979 HydrophobicContact CD2-CD2 4.32Å; L975-Y979 HydrophobicContact CD2-CE2 4.11Å; L975-Y979 PolarHBondContact O-N 3.49Å; L975-Y979 VanDerWaalsContact O-N 3.1Å
976	K	81.1	Confident	83.6	Confident	55 Å²	55	70.3 Å²	70.3	24%	0.239	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-35.5	175.3	-71.3	169.1	-179.4	170.1	0	111.3	I972 D973 N974 K980 M986 G994	I972-K976 HydrophobicContact CG2-CD 4.28Å; I972-K976 WeakPolarHBondContact O-CG 3.22Å; I972-K976 PolarHBondContact O-N 2.69Å; D973-K976 WeakPolarHBondContact O-CB 3.41Å; D973-K976 PolarHBondContact O-N 3.03Å; D973-K976 IonicContact OD1-NZ 3.89Å; N974-K976 VanDerWaalsContact C-N 3.32Å; N974-K976 PolarHBondContact O-N 3.04Å; K976-K980 WeakPolarHBondContact O-CG 2.87Å; K976-M986 HydrophobicContact CG-SD 4.41Å; K976-G994 PolarHBondContact NZ-O 3.02Å
977	Q	82.8	Confident	83.5	Confident	134 Å²	134	71.6 Å²	71.6	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-77.1	-42.5	-179	-172.1	172.6	-1	0	0	113.4	D973 N974 L975 K980	D973-Q977 PolarHBondContact O-N 2.94Å; N974-Q977 PolarHBondContact O-N 3.43Å; L975-Q977 VanDerWaalsContact C-N 3.26Å; L975-Q977 PolarHBondContact O-N 3Å; Q977-K980 WeakPolarHBondContact O-CE 3.09Å; Q977-K980 WeakPolarHBondContact O-CG 3.36Å
978	I	83.1	Confident	83.5	Confident	97 Å²	97	71.9 Å²	71.9	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-76.5	-38.4	-176.8	-66.1	-179.4	0	0	0	111.8	N974	N974-I978 PolarHBondContact O-N 3.19Å; N974-I978 WeakPolarHBondContact OD1-CD1 3.28Å; N974-I978 WeakPolarHBondContact OD1-CG1 3.36Å
979	Y	83.2	Confident	83.3	Confident	38 Å²	38	71.4 Å²	71.4	15%	0.149	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	35.4	-172.8	-58.8	-83.9	0	0	0	114.2	H933 L936 L975 G981 K982	H933-Y979 AromaticContact CE1-CE2 3.91Å; H933-Y979 AromaticContact ND1-CE2 3.38Å; H933-Y979 WeakPolarHBondContact ND1-CE2 3.4Å; H933-Y979 AromaticContact ND1-CZ 3.67Å; H933-Y979 PolarHBondContact ND1-OH 2.83Å; H933-Y979 PolarHBondContact O-OH 2.88Å; L936-Y979 HydrophobicContact CB-CD1 4.23Å; L936-Y979 HydrophobicContact CB-CD2 4.4Å; L936-Y979 HydrophobicContact CB-CE1 3.9Å; L936-Y979 HydrophobicContact CB-CE2 4.09Å; L936-Y979 HydrophobicContact CB-CG 4.46Å; L936-Y979 HydrophobicContact CD1-CD2 3.68Å; L936-Y979 HydrophobicContact CD1-CE2 3.68Å; L936-Y979 HydrophobicContact CD1-CG 4.27Å; L975-Y979 HydrophobicContact CD2-CD2 4.32Å; L975-Y979 HydrophobicContact CD2-CE2 4.11Å; L975-Y979 PolarHBondContact O-N 3.49Å; L975-Y979 VanDerWaalsContact O-N 3.1Å; Y979-G981 PolarHBondContact O-N 3.11Å; Y979-K982 PolarHBondContact O-N 3.22Å
980	K	76.9	Confident	83.2	Confident	145 Å²	145	76.4 Å²	76.4	63%	0.63	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-26.1	179.2	-69.2	178.9	-175	-176.3	0	114.5	K976 Q977 K982	K976-K980 WeakPolarHBondContact O-CG 2.87Å; Q977-K980 WeakPolarHBondContact O-CE 3.09Å; Q977-K980 WeakPolarHBondContact O-CG 3.36Å; K980-K982 VanDerWaalsContact C-N 3.27Å; K980-K982 PolarHBondContact O-N 2.86Å
981	G	75.7	Confident	83.1	Confident	78 Å²	78	77.7 Å²	77.7	80%	0.804	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-21	177.3	0	0	0	0	0	114.8	Y979 K983	Y979-G981 PolarHBondContact O-N 3.11Å; G981-K983 PolarHBondContact O-N 3.24Å
982	K	81.9	Confident	82.8	Confident	48 Å²	48	83.6 Å²	83.6	21%	0.209	40%	0.399	C	S	.	.			trans	-96.3	59.5	-177.8	-60.4	-166.6	178.4	-165.2	0	112.3	L936 T937 I939 Y979 K980 K984 L985 M986	L936-K982 WeakPolarHBondContact O-CE 3.37Å; L936-K982 PolarHBondContact O-NZ 3.11Å; T937-K982 PolarHBondContact O-NZ 2.55Å; T937-K982 VanDerWaalsContact O-NZ 3.11Å; I939-K982 HydrophobicContact CG2-CD 3.92Å; I939-K982 VanDerWaalsContact CG2-NZ 3.35Å; Y979-K982 PolarHBondContact O-N 3.22Å; K980-K982 VanDerWaalsContact C-N 3.27Å; K980-K982 PolarHBondContact O-N 2.86Å; K982-K984 PolarHBondContact O-N 2.8Å; K982-L985 HydrophobicContact CB-CB 4.41Å; K982-L985 PolarHBondContact O-N 3.49Å; K982-L985 VanDerWaalsContact O-N 3.14Å; K982-M986 PolarHBondContact O-N 3.16Å; K982-M986 VanDerWaalsContact O-N 3.1Å
983	K	81.8	Confident	82.5	Confident	175 Å²	175	85.3 Å²	85.3	76%	0.761	41%	0.406	S	S	*	.	H	α-helix	trans	-49.9	-47.6	-170.2	-65.3	-172.8	-179.8	179.7	0	115.1	G981 L985 M986 M987	G981-K983 PolarHBondContact O-N 3.24Å; K983-L985 PolarHBondContact O-N 3.46Å; K983-M986 PolarHBondContact O-N 3.22Å; K983-M987 PolarHBondContact O-N 2.68Å
984	K	82.8	Confident	81.5	Confident	149 Å²	149	85.1 Å²	85.1	65%	0.648	42%	0.424	S	S	*	.	H	α-helix	trans	-66.5	-36.3	-177.5	-171.9	173.7	-176.8	176.5	0	113	Y944 K982 L988	Y944-K984 HydrophobicContact CE2-CB 4.15Å; Y944-K984 HydrophobicContact CE2-CG 4.25Å; K982-K984 PolarHBondContact O-N 2.8Å; K984-L988 PolarHBondContact O-N 2.95Å
985	L	83.7	Confident	81.3	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-71.9	-42.7	176.2	-179.8	58.8	0	0	0	111.4	L936 I939 Y944 F947 I948 K982 K983 M987 L988 V989	L936-L985 HydrophobicContact CD2-CD2 3.47Å; L936-L985 VanDerWaalsContact CD2-CD2 3.47Å; I939-L985 HydrophobicContact CD1-CD2 4.01Å; I939-L985 HydrophobicContact CG2-CD2 3.94Å; Y944-L985 HydrophobicContact CD1-CB 4.22Å; Y944-L985 HydrophobicContact CD1-CD1 3.71Å; Y944-L985 HydrophobicContact CD1-CD2 4.13Å; Y944-L985 HydrophobicContact CD1-CG 4.24Å; Y944-L985 HydrophobicContact CD2-CB 4.2Å; Y944-L985 HydrophobicContact CD2-CD1 4.28Å; Y944-L985 HydrophobicContact CE1-CB 3.91Å; Y944-L985 HydrophobicContact CE1-CD1 4.23Å; Y944-L985 HydrophobicContact CE1-CD2 3.95Å; Y944-L985 HydrophobicContact CE1-CG 4.26Å; Y944-L985 HydrophobicContact CE2-CB 3.91Å; Y944-L985 HydrophobicContact CG-CB 4.36Å; Y944-L985 HydrophobicContact CG-CD1 3.73Å; F947-L985 HydrophobicContact CD1-CD1 3.9Å; F947-L985 HydrophobicContact CD1-CD2 4.23Å; F947-L985 HydrophobicContact CD1-CG 4.48Å; F947-L985 HydrophobicContact CE1-CD1 4.44Å; F947-L985 HydrophobicContact CE1-CD2 4.26Å; I948-L985 HydrophobicContact CD1-CD1 4.28Å; I948-L985 HydrophobicContact CG1-CD1 4.4Å; K982-L985 HydrophobicContact CB-CB 4.41Å; K982-L985 PolarHBondContact O-N 3.49Å; K982-L985 VanDerWaalsContact O-N 3.14Å; K983-L985 PolarHBondContact O-N 3.46Å; L985-M987 VanDerWaalsContact C-N 3.27Å; L985-M987 PolarHBondContact O-N 3.42Å; L985-L988 WeakPolarHBondContact O-CB 3.18Å; L985-L988 PolarHBondContact O-N 2.89Å; L985-L988 VanDerWaalsContact O-N 3.12Å; L985-V989 WeakPolarHBondContact O-CG2 3.36Å; L985-V989 PolarHBondContact O-N 3Å
986	M	86.3	Confident	81.1	Confident	22 Å²	22	90.2 Å²	90.2	11%	0.108	45%	0.448	C	S	.	.	H	α-helix	trans	-66.3	-29.8	179.7	-66.2	-62.4	138.5	0	0	112.7	L936 K976 K982 K983 R990	L936-M986 HydrophobicContact CD2-CE 4.32Å; K976-M986 HydrophobicContact CG-SD 4.41Å; K982-M986 PolarHBondContact O-N 3.16Å; K982-M986 VanDerWaalsContact O-N 3.1Å; K983-M986 PolarHBondContact O-N 3.22Å; M986-R990 WeakPolarHBondContact O-CB 3.39Å; M986-R990 PolarHBondContact O-N 3.37Å
987	M	83.2	Confident	81.1	Confident	133 Å²	133	92.2 Å²	92.2	66%	0.655	46%	0.46	S	S	*	.	H	α-helix	trans	-61.2	-47.1	169.5	-173.7	-171.6	-68.8	0	0	111.5	K983 L985 R990 E991	K983-M987 PolarHBondContact O-N 2.68Å; L985-M987 VanDerWaalsContact C-N 3.27Å; L985-M987 PolarHBondContact O-N 3.42Å; M987-R990 WeakPolarHBondContact O-CB 3.49Å; M987-R990 PolarHBondContact O-N 2.97Å; M987-E991 PolarHBondContact O-N 3.41Å
988	L	84.2	Confident	81	Confident	59 Å²	59	89.7 Å²	89.7	31%	0.309	45%	0.45	S	S	.	.	H	α-helix	trans	-65.6	-37.7	177.7	-66.2	169.2	0	0	0	112.7	Y944 I948 K984 L985 R990 E991 R992	Y944-L988 HydrophobicContact CD2-CD1 4.16Å; I948-L988 HydrophobicContact CD1-CB 3.93Å; I948-L988 HydrophobicContact CG1-CB 4.21Å; K984-L988 PolarHBondContact O-N 2.95Å; L985-L988 WeakPolarHBondContact O-CB 3.18Å; L985-L988 PolarHBondContact O-N 2.89Å; L985-L988 VanDerWaalsContact O-N 3.12Å; L988-R990 VanDerWaalsContact C-N 3.34Å; L988-E991 PolarHBondContact O-N 3.2Å; L988-R992 PolarHBondContact O-N 3.43Å
989	V	83.3	Confident	80.9	Confident	1 Å²	1	89.3 Å²	89.3	1%	0.006	45%	0.447	C	S	.	.	H	α-helix	trans	-62.7	-43.1	174.2	174.9	0	0	0	0	110.5	F947 I948 L951 I972 L985 R992 F993	F947-V989 HydrophobicContact CE1-CG2 4.49Å; I948-V989 HydrophobicContact CD1-CB 4.2Å; I948-V989 HydrophobicContact CD1-CG2 3.45Å; I948-V989 VanDerWaalsContact CD1-CG2 3.45Å; L951-V989 HydrophobicContact CD1-CG1 4.43Å; L951-V989 HydrophobicContact CD1-CG2 4.02Å; I972-V989 HydrophobicContact CD1-CG1 4.13Å; I972-V989 HydrophobicContact CG2-CG1 4.12Å; L985-V989 WeakPolarHBondContact O-CG2 3.36Å; L985-V989 PolarHBondContact O-N 3Å; V989-R992 PolarHBondContact O-N 3.5Å; V989-F993 HydrophobicContact CG1-CD2 4.47Å; V989-F993 PolarHBondContact O-N 2.75Å
990	R	81.9	Confident	80.8	Confident	170 Å²	170	92.7 Å²	92.7	64%	0.642	47%	0.467	S	S	*	.	H	α-helix	trans	-62.9	-46.6	177.4	-167.2	-176.9	-168.2	176.9	3.2	111.6	M986 M987 L988 R992 G994	M986-R990 WeakPolarHBondContact O-CB 3.39Å; M986-R990 PolarHBondContact O-N 3.37Å; M987-R990 WeakPolarHBondContact O-CB 3.49Å; M987-R990 PolarHBondContact O-N 2.97Å; L988-R990 VanDerWaalsContact C-N 3.34Å; R990-R992 VanDerWaalsContact C-N 3.31Å; R990-R992 PolarHBondContact O-N 3.29Å; R990-G994 WeakPolarHBondContact CA-O 3.36Å; R990-G994 VanDerWaalsContact CG-O 3.29Å; R990-G994 WeakPolarHBondContact CG-O 3.35Å; R990-G994 CarbonylContact O-C 3.58Å; R990-G994 PolarHBondContact O-N 3.18Å
991	E	82.7	Confident	81	Confident	155 Å²	155	88.9 Å²	88.9	72%	0.724	46%	0.455	S	S	*	.	H	α-helix	trans	-60.3	-37.9	-179.7	-170.1	178.8	-178.4	0	0	112.7	M987 L988	M987-E991 PolarHBondContact O-N 3.41Å; L988-E991 PolarHBondContact O-N 3.2Å
992	R	81.5	Confident	81.4	Confident	137 Å²	137	89.8 Å²	89.8	52%	0.517	43%	0.428	S	S	.	.	H	α-helix	trans	-92.1	-28.1	-175.6	-158.7	175.8	-174.2	168.9	-4.6	115	I948 L988 V989 R990	I948-R992 HydrophobicContact CG2-CB 4.24Å; I948-R992 HydrophobicContact CG2-CG 4.28Å; I948-R992 VanDerWaalsContact CG2-NH1 3.33Å; L988-R992 PolarHBondContact O-N 3.43Å; V989-R992 PolarHBondContact O-N 3.5Å; R990-R992 VanDerWaalsContact C-N 3.31Å; R990-R992 PolarHBondContact O-N 3.29Å
993	F	81.2	Confident	81.4	Confident	39 Å²	39	93.3 Å²	93.3	17%	0.171	45%	0.446	C	S	.	.	H	α-helix	trans	-127.7	-1.6	-169.8	-57.9	-66.4	0	0	0	115.6	I948 L951 G952 F968 V989	I948-F993 HydrophobicContact CG2-CE2 4Å; I948-F993 HydrophobicContact CG2-CZ 4.49Å; I948-F993 WeakPolarHBondContact O-CZ 3.19Å; L951-F993 HydrophobicContact CB-CD2 4.45Å; L951-F993 HydrophobicContact CB-CE2 3.72Å; L951-F993 HydrophobicContact CB-CZ 4.07Å; G952-F993 VanDerWaalsContact N-CZ 3.34Å; F968-F993 HydrophobicContact CE1-CB 4.33Å; F968-F993 HydrophobicContact CE1-CD1 4.31Å; F968-F993 HydrophobicContact CE1-CG 4.43Å; F968-F993 HydrophobicContact CZ-CD1 4.39Å; V989-F993 HydrophobicContact CG1-CD2 4.47Å; V989-F993 PolarHBondContact O-N 2.75Å
994	G	64.4	Low	81.4	Confident	79 Å²	79	85.8 Å²	85.8	81%	0.814	42%	0.418	S	S	*	.			trans	141.5	0	175.6	0	0	0	0	0	114.7	K976 R990	K976-G994 PolarHBondContact NZ-O 3.02Å; R990-G994 WeakPolarHBondContact CA-O 3.36Å; R990-G994 VanDerWaalsContact CG-O 3.29Å; R990-G994 WeakPolarHBondContact CG-O 3.35Å; R990-G994 CarbonylContact O-C 3.58Å; R990-G994 PolarHBondContact O-N 3.18Å

Retrieved 994 of 994 residues in 984.3 ms (Link to these results)

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