A0A077Z3B4_TRITR Loading...

Ipi1 N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3B4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 817 aa.

						>A0A077Z3B4_TRITR|A0A077Z3B4
MGRSKAKRKREDFQKVKLKVGRKLRKPNETKVDFKVKKIVLPCQTDDWNATTLRTSCSLSLEDCCRLLIHHNMSKRRVALRGLLELLSMDSSLGSSNLSKLLECILPSLTAADTVVRQLTSQAVSLLMGLVTSRQLSSYFPLIAGHICCGITHIDVPVKVVSAELLDCILQKHPIFLKSCSRRVIGLFVQLYMPCREDSCSKDKSSLLIDDKLLSNNERTRILRSLLKFLQVLLFHTDEQAAFSGPFSYAICTYDNLDNDEFDIRTFLMESGPAVLNCLLSFWFEVAWCRTTDGELRTGEITRSFGEEELKDMILILRTLNILIDYYVSLPMARQAQKRFAKLLNAKVMDKVNALFPIRRSGRTEHSSDHTVGKCYVTDTCIDVNVALCYFFVISERLTGESAPSSCLDNSTTYLFRLLEKRNCSPTQLMTVLQVLSLRRWSDKELITCLLKFFVSNRASITAKHHLLIFINDHYDALGLHSLAKIENIDFFVCLMKLESSSQASHVEAWPIHHSIIVLLEKILCLNRLELQPVKNVIEKIWCSLLHAAAAFSCHLRRRCFSLAFRLAPFSRETLHCLVHFMRKSGELEDICFLFEMVLHGYSGWLNDCDEEHLVDLLSFLGILICCSDNYEKTCSESRADNSEAVILEIKSSSIPPLHYWLQLKRIFTSWLASITFDGCGFIEHVIVTAITKWITHNGNSLSAEQALCISLWSLECTCSSTRKLAEPISRIFWSALCYLNNATEKLHDAELEGWRNCLANYAIFPSLLLPLLESAFGPRGKEGYFIFVKDFGTSASCFSSYNRLYSFGKTPGAFAL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	54.2	Low	248 Å²	248	163.2 Å²	163.2	100%	1.222	78%	0.782	S	S	*	*				0	49.9	0	-72.7	-96.3	-122.9	0	0	112.7
2	G	45.9	Very low	54.6	Low	74 Å²	74	161.5 Å²	161.5	76%	0.763	78%	0.781	S	S	*	*			trans	-108.1	10.8	-164.5	0	0	0	0	0	118.6	S4	G2-S4 PolarHBondContact O-N 2.96Å
3	R	52.7	Low	55.1	Low	242 Å²	242	163.5 Å²	163.5	91%	0.913	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	3.4	-172.4	-81.8	-174.6	175.5	177.5	-0.5	116.2
4	S	55.7	Low	55.3	Low	95 Å²	95	162.9 Å²	162.9	66%	0.664	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-17.4	-177.1	63.5	0	0	0	0	115.4	G2	G2-S4 PolarHBondContact O-N 2.96Å
5	K	57.3	Low	55.8	Low	185 Å²	185	164.9 Å²	164.9	80%	0.804	78%	0.784	S	S	*	*	H	α-helix	trans	-74.1	-27	-179.2	-106.8	179.7	179.8	175.9	0	114.2
6	A	57.2	Low	55.8	Low	77 Å²	77	161.8 Å²	161.8	64%	0.636	78%	0.778	S	S	*	*	H	α-helix	trans	-75.1	-26.2	-178	0	0	0	0	0	113.5
7	K	58	Low	55.8	Low	152 Å²	152	163.4 Å²	163.4	66%	0.661	78%	0.781	S	S	*	*	H	α-helix	trans	-73.9	-35.7	-178.5	-159.1	176.2	178.6	-174.1	0	112.2	K9 R10	K7-K9 PolarHBondContact O-N 2.94Å; K7-R10 PolarHBondContact O-N 2.8Å
8	R	57.6	Low	55.5	Low	203 Å²	203	162.1 Å²	162.1	77%	0.766	78%	0.778	S	S	*	*	H	α-helix	trans	-66	-31.8	-179.8	-76.5	-173	171.6	-175.7	-2.1	114.2	R10	R8-R10 VanDerWaalsContact C-N 3.26Å; R8-R10 PolarHBondContact O-N 3.32Å
9	K	57.3	Low	55.3	Low	175 Å²	175	164.8 Å²	164.8	76%	0.761	79%	0.786	S	S	*	*	H	α-helix	trans	-71.8	-17.1	176	-76.8	-169	175.1	-171.7	0	113.9	K7	K7-K9 PolarHBondContact O-N 2.94Å
10	R	56.6	Low	55	Low	217 Å²	217	163.1 Å²	163.1	82%	0.819	79%	0.786	S	S	*	*	H	α-helix	trans	-83.2	-20.3	179.3	-106.1	-177.2	-179.6	-176.4	0.3	113.6	K7 R8	K7-R10 PolarHBondContact O-N 2.8Å; R8-R10 VanDerWaalsContact C-N 3.26Å; R8-R10 PolarHBondContact O-N 3.32Å
11	E	58.6	Low	54.7	Low	127 Å²	127	158.6 Å²	158.6	59%	0.593	78%	0.783	S	S	*	*	H	α-helix	trans	-84.2	-29.1	-178	-70.9	169.2	-176.8	0	0	112.1	F13 Q14	E11-F13 VanDerWaalsContact C-N 3.3Å; E11-F13 PolarHBondContact O-N 3.3Å; E11-Q14 PolarHBondContact O-N 3.49Å
12	D	58.5	Low	55.4	Low	143 Å²	143	158.7 Å²	158.7	77%	0.765	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-21.4	-172.6	-133.8	3.6	0	0	0	114.3
13	F	61.3	Low	55.9	Low	188 Å²	188	164.7 Å²	164.7	83%	0.825	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	11	-177.7	-71.2	-78.9	0	0	0	114.4	E11 K15	E11-F13 VanDerWaalsContact C-N 3.3Å; E11-F13 PolarHBondContact O-N 3.3Å; F13-K15 PolarHBondContact O-N 2.94Å; F13-K15 VanDerWaalsContact O-N 3.13Å
14	Q	57.6	Low	56.3	Low	155 Å²	155	161.2 Å²	161.2	72%	0.724	77%	0.773	S	S	*	*			trans	-88.1	85.2	178.6	-152	156.1	24.2	0	0	111	E11 V16	E11-Q14 PolarHBondContact O-N 3.49Å; Q14-V16 PolarHBondContact O-N 3.23Å
15	K	63.4	Low	56.4	Low	193 Å²	193	166.4 Å²	166.4	84%	0.839	78%	0.778	S	S	*	*			trans	-59.5	99.4	174.3	-166	172.5	-172.8	172.5	0	110.3	F13 K17	F13-K15 PolarHBondContact O-N 2.94Å; F13-K15 VanDerWaalsContact O-N 3.13Å; K15-K17 PolarHBondContact O-N 3.38Å; K15-K17 VanDerWaalsContact O-N 3.15Å
16	V	55.6	Low	56.9	Low	114 Å²	114	165.7 Å²	165.7	69%	0.691	78%	0.775	S	S	*	*			trans	-67.3	108.9	178.4	-177.1	0	0	0	0	109.3	Q14 L18	Q14-V16 PolarHBondContact O-N 3.23Å; V16-L18 HydrophobicContact CG1-CG 4.11Å; V16-L18 PolarHBondContact O-N 3.11Å; V16-L18 VanDerWaalsContact O-N 3.1Å
17	K	55.2	Low	57.2	Low	190 Å²	190	168.3 Å²	168.3	83%	0.826	79%	0.786	S	S	*	*			trans	-79.5	85.5	171.7	-67.5	-177.7	-178.8	178	0	109.1	K15 K19	K15-K17 PolarHBondContact O-N 3.38Å; K15-K17 VanDerWaalsContact O-N 3.15Å; K17-K19 PolarHBondContact O-N 3.44Å
18	L	50.8	Low	57.6	Low	139 Å²	139	168.5 Å²	168.5	73%	0.728	79%	0.794	S	S	*	*			trans	-68.3	111	166.6	-76.3	166.1	0	0	0	108.8	V16 V20	V16-L18 HydrophobicContact CG1-CG 4.11Å; V16-L18 PolarHBondContact O-N 3.11Å; V16-L18 VanDerWaalsContact O-N 3.1Å; L18-V20 VanDerWaalsContact C-N 3.26Å; L18-V20 PolarHBondContact O-N 3.38Å
19	K	52.8	Low	58.1	Low	215 Å²	215	164.4 Å²	164.4	94%	0.935	78%	0.783	S	S	*	*			trans	-73.4	81.9	169.7	-77.4	-176.1	176.5	178.5	0	109	K17	K17-K19 PolarHBondContact O-N 3.44Å
20	V	48.6	Very low	58.7	Low	130 Å²	130	161.9 Å²	161.9	79%	0.788	78%	0.783	S	S	*	*			trans	-87.5	128	170.2	-82.3	0	0	0	0	110.3	L18	L18-V20 VanDerWaalsContact C-N 3.26Å; L18-V20 PolarHBondContact O-N 3.38Å
21	G	49.6	Very low	58.8	Low	69 Å²	69	159.8 Å²	159.8	71%	0.711	78%	0.78	S	S	*	*			trans	98.9	105.7	166.7	0	0	0	0	0	115.4	K23	G21-K23 PolarHBondContact O-N 3.18Å; G21-K23 VanDerWaalsContact O-N 3.15Å
22	R	52.9	Low	59.3	Low	249 Å²	249	158.9 Å²	158.9	94%	0.94	78%	0.783	S	S	*	*			trans	-63.5	109.6	161.4	-69.3	-176	-179.3	-163.3	0.9	107.6	L24	R22-L24 PolarHBondContact O-N 3.45Å
23	K	57.4	Low	60	Low	200 Å²	200	158.4 Å²	158.4	87%	0.87	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-65.9	118.3	176	-70.6	-177.4	176.9	-178.3	0	109.1	G21 R25	G21-K23 PolarHBondContact O-N 3.18Å; G21-K23 VanDerWaalsContact O-N 3.15Å; K23-R25 PolarHBondContact O-N 3.03Å
24	L	59.7	Low	60.6	Low	170 Å²	170	156.6 Å²	156.6	89%	0.89	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-55.4	130.8	169.7	-111.3	71.4	0	0	0	109.4	R22	R22-L24 PolarHBondContact O-N 3.45Å
25	R	57.9	Low	61.3	Low	203 Å²	203	159 Å²	159	77%	0.766	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.5	132.3	-177.4	-66.2	-162.6	-178.3	-164.9	0.6	110.6	K23 E29	K23-R25 PolarHBondContact O-N 3.03Å; R25-E29 WeakPolarHBondContact CB-OE2 3.21Å
26	K	68.3	Low	61.5	Low	171 Å²	171	154.9 Å²	154.9	74%	0.743	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-81.2	140.6	179	-69.3	-178.3	177.6	-176.5	0	109.3	N28 E29	K26-N28 PolarHBondContact O-N 3.45Å; K26-N28 VanDerWaalsContact O-N 3.11Å; K26-E29 VanDerWaalsContact O-CB 3.27Å; K26-E29 WeakPolarHBondContact O-CB 3.19Å; K26-E29 PolarHBondContact O-N 3.33Å; K26-E29 VanDerWaalsContact O-N 3.17Å
27	P	63.9	Low	62.3	Low	132 Å²	132	158.5 Å²	158.5	86%	0.857	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-15.1	-170.3	23.8	-33	0	0	0	115.3
28	N	66.6	Low	63.2	Low	156 Å²	156	157.9 Å²	157.9	83%	0.834	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	23.1	176.1	-67.1	-5.3	0	0	0	113.3	K26 T30	K26-N28 PolarHBondContact O-N 3.45Å; K26-N28 VanDerWaalsContact O-N 3.11Å; N28-T30 PolarHBondContact O-N 3.22Å
29	E	66.6	Low	64.1	Low	116 Å²	116	158 Å²	158	54%	0.542	78%	0.775	S	S	.	*			trans	-79.1	103.4	179.2	-164.2	160.6	-143.2	0	0	109.7	R25 K26 K31	R25-E29 WeakPolarHBondContact CB-OE2 3.21Å; K26-E29 VanDerWaalsContact O-CB 3.27Å; K26-E29 WeakPolarHBondContact O-CB 3.19Å; K26-E29 PolarHBondContact O-N 3.33Å; K26-E29 VanDerWaalsContact O-N 3.17Å; E29-K31 PolarHBondContact O-N 3.08Å; E29-K31 VanDerWaalsContact O-N 3.1Å
30	T	71	Confident	64.7	Low	123 Å²	123	152 Å²	152	76%	0.755	76%	0.755	S	S	*	*			trans	-57.7	114.3	171.7	-42.1	0	0	0	0	108.5	N28 V32	N28-T30 PolarHBondContact O-N 3.22Å; T30-V32 VanDerWaalsContact O-CG2 3.28Å; T30-V32 WeakPolarHBondContact O-CG2 3.21Å; T30-V32 PolarHBondContact O-N 2.98Å
31	K	59.3	Low	65.4	Low	172 Å²	172	150.8 Å²	150.8	75%	0.748	74%	0.744	S	S	*	*			trans	-63.6	105	176.7	-71.9	-173.8	179	178.7	0	109.2	E29 D33	E29-K31 PolarHBondContact O-N 3.08Å; E29-K31 VanDerWaalsContact O-N 3.1Å; K31-D33 PolarHBondContact O-N 3.25Å
32	V	68	Low	65.6	Low	109 Å²	109	152.5 Å²	152.5	66%	0.661	74%	0.743	S	S	*	*			trans	-87.3	32.8	174.4	-148.3	0	0	0	0	110.8	T30 F34	T30-V32 VanDerWaalsContact O-CG2 3.28Å; T30-V32 WeakPolarHBondContact O-CG2 3.21Å; T30-V32 PolarHBondContact O-N 2.98Å; V32-F34 HydrophobicContact CG1-CD1 3.97Å; V32-F34 HydrophobicContact CG1-CE1 4.02Å; V32-F34 WeakPolarHBondContact O-CD1 3.14Å; V32-F34 PolarHBondContact O-N 2.99Å
33	D	72.9	Confident	65.2	Low	132 Å²	132	145 Å²	145	71%	0.706	73%	0.728	S	S	*	*			trans	-78	69.1	178	-64.9	-33.7	0	0	0	109.3	K31	K31-D33 PolarHBondContact O-N 3.25Å
34	F	75.4	Confident	64.8	Low	151 Å²	151	143 Å²	143	66%	0.662	72%	0.721	S	S	*	*			trans	-85.7	121.1	167.1	64.6	-82.3	0	0	0	109.3	V32 V36	V32-F34 HydrophobicContact CG1-CD1 3.97Å; V32-F34 HydrophobicContact CG1-CE1 4.02Å; V32-F34 WeakPolarHBondContact O-CD1 3.14Å; V32-F34 PolarHBondContact O-N 2.99Å; F34-V36 HydrophobicContact CD2-CG2 3.4Å; F34-V36 HydrophobicContact CE2-CG2 3.22Å; F34-V36 HydrophobicContact CZ-CG2 4.36Å; F34-V36 PolarHBondContact O-N 2.95Å; F34-V36 VanDerWaalsContact O-N 3.16Å
35	K	70.9	Confident	64.6	Low	204 Å²	204	139.5 Å²	139.5	89%	0.887	71%	0.707	S	S	*	*			trans	-73.4	103.2	170.9	-71.9	-179.9	179	177.4	0	108.4	K37	K35-K37 PolarHBondContact O-N 2.94Å; K35-K37 VanDerWaalsContact O-N 3.16Å
36	V	68.9	Low	64.1	Low	107 Å²	107	134.8 Å²	134.8	65%	0.648	70%	0.697	S	S	*	*			trans	-72.8	105.2	169.9	-176.5	0	0	0	0	108.2	F34 K38	F34-V36 HydrophobicContact CD2-CG2 3.4Å; F34-V36 HydrophobicContact CE2-CG2 3.22Å; F34-V36 HydrophobicContact CZ-CG2 4.36Å; F34-V36 PolarHBondContact O-N 2.95Å; F34-V36 VanDerWaalsContact O-N 3.16Å; V36-K38 PolarHBondContact O-N 3.09Å
37	K	71.1	Confident	63.3	Low	191 Å²	191	133.9 Å²	133.9	83%	0.83	70%	0.7	S	S	*	*			trans	-70.5	113.5	159.8	-71	-175.8	179.1	-179.8	0	106.4	K35 I39	K35-K37 PolarHBondContact O-N 2.94Å; K35-K37 VanDerWaalsContact O-N 3.16Å; K37-I39 PolarHBondContact O-N 2.97Å
38	K	74	Confident	62.6	Low	177 Å²	177	138.8 Å²	138.8	77%	0.77	70%	0.702	S	S	*	*			trans	-61.8	101.4	169.6	-173.9	-173.1	-175.6	-169.8	0	106.8	V36 V40	V36-K38 PolarHBondContact O-N 3.09Å; K38-V40 HydrophobicContact CD-CG2 3.64Å; K38-V40 HydrophobicContact CG-CG2 3.81Å; K38-V40 PolarHBondContact O-N 2.74Å
39	I	69.5	Low	61.5	Low	142 Å²	142	135.5 Å²	135.5	73%	0.728	68%	0.684	S	S	*	*			trans	-71.8	92.6	163.5	-55.3	176.2	0	0	0	104.5	K37 L41	K37-I39 PolarHBondContact O-N 2.97Å; I39-L41 HydrophobicContact CG2-CG 4.17Å; I39-L41 PolarHBondContact O-N 3.27Å
40	V	67.2	Low	60.9	Low	87 Å²	87	134.9 Å²	134.9	53%	0.527	70%	0.699	S	S	.	*			trans	-70.9	110.8	159.8	-178.8	0	0	0	0	103.6	K38 P42	K38-V40 HydrophobicContact CD-CG2 3.64Å; K38-V40 HydrophobicContact CG-CG2 3.81Å; K38-V40 PolarHBondContact O-N 2.74Å; V40-P42 HydrophobicContact CG1-CG 4.42Å; V40-P42 WeakPolarHBondContact O-CD 3.39Å
41	L	62.1	Low	60.3	Low	105 Å²	105	135.4 Å²	135.4	55%	0.55	70%	0.703	S	S	.	*			trans	-78.6	97.4	162.3	-76.9	151.4	0	0	0	105.5	I39 C43 Q44	I39-L41 HydrophobicContact CG2-CG 4.17Å; I39-L41 PolarHBondContact O-N 3.27Å; L41-C43 PolarHBondContact O-N 3.22Å; L41-Q44 HydrophobicContact CB-CG 4.25Å; L41-Q44 HydrophobicContact CD1-CG 4.35Å; L41-Q44 HydrophobicContact CD2-CG 4.26Å
42	P	53.1	Low	60.4	Low	105 Å²	105	130.5 Å²	130.5	68%	0.682	69%	0.687	S	S	*	*	S	Bend	trans	-75.9	113.7	172.2	5	17.9	0	0	0	104.4	V40	V40-P42 HydrophobicContact CG1-CG 4.42Å; V40-P42 WeakPolarHBondContact O-CD 3.39Å
43	C	45.6	Very low	60.6	Low	92 Å²	92	128.6 Å²	128.6	62%	0.622	67%	0.673	S	S	*	*			trans	72.3	79.7	175.2	-43.3	0	0	0	0	114.9	L41 T45	L41-C43 PolarHBondContact O-N 3.22Å; C43-T45 VanDerWaalsContact C-N 3.3Å
44	Q	49.6	Very low	60.9	Low	159 Å²	159	127.8 Å²	127.8	74%	0.743	66%	0.66	S	S	*	*	S	Bend	trans	-88.9	2.5	152	-85.6	-173.3	-30.8	0	0	112.4	L41	L41-Q44 HydrophobicContact CB-CG 4.25Å; L41-Q44 HydrophobicContact CD1-CG 4.35Å; L41-Q44 HydrophobicContact CD2-CG 4.26Å
45	T	55	Low	61.2	Low	96 Å²	96	121 Å²	121	59%	0.589	63%	0.631	S	S	*	*	S	Bend	trans	-100.7	-13.3	-172.6	43.3	0	0	0	0	115.3	C43	C43-T45 VanDerWaalsContact C-N 3.3Å
46	D	47.7	Very low	61.6	Low	104 Å²	104	115.8 Å²	115.8	56%	0.556	62%	0.62	S	S	*	*	S	Bend	trans	-119.3	128.8	-173.8	-54.1	-42.3	0	0	0	110.3
47	D	51.4	Low	62.1	Low	151 Å²	151	114.6 Å²	114.6	81%	0.807	62%	0.615	S	S	*	*	S	Bend	trans	95.8	-3.9	156.8	-53.2	-19.2	0	0	0	122.2
48	W	48.3	Very low	62.5	Low	235 Å²	235	109.3 Å²	109.3	89%	0.89	60%	0.603	S	S	*	*	S	Bend	trans	-90.3	-24.2	170.8	-158.2	-92	0	0	0	115
49	N	44.9	Very low	62.9	Low	87 Å²	87	102.3 Å²	102.3	47%	0.465	57%	0.573	S	S	.	*			trans	-135.4	48.5	-174.9	-79.9	7.1	0	0	0	113.1	T51 T52	N49-T51 PolarHBondContact O-N 3.47Å; N49-T52 WeakPolarHBondContact CB-OG1 3.33Å; N49-T52 PolarHBondContact O-N 2.79Å; N49-T52 VanDerWaalsContact O-N 3.14Å
50	A	52.3	Low	63.7	Low	104 Å²	104	96.4 Å²	96.4	86%	0.86	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-11.8	169	0	0	0	0	0	113.6
51	T	58.3	Low	64.6	Low	134 Å²	134	93.3 Å²	93.3	82%	0.822	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.6	179	24.7	0	0	0	0	115.6	N49	N49-T51 PolarHBondContact O-N 3.47Å
52	T	62.3	Low	65.8	Low	68 Å²	68	93 Å²	93	42%	0.417	52%	0.521	S	S	.	.	S	Bend	trans	-98.2	120.4	-176.8	-21.1	0	0	0	0	112	N49 R54	N49-T52 WeakPolarHBondContact CB-OG1 3.33Å; N49-T52 PolarHBondContact O-N 2.79Å; N49-T52 VanDerWaalsContact O-N 3.14Å; T52-R54 PolarHBondContact O-N 2.88Å
53	L	72.1	Confident	67.4	Low	70 Å²	70	90.9 Å²	90.9	37%	0.366	50%	0.504	S	S	.	.			trans	-56.8	131.3	174.4	-71.1	165.8	0	0	0	110.8	L86 D90 L93	L53-L86 HydrophobicContact CB-CD2 4.17Å; L53-D90 HydrophobicContact CD1-CB 3.35Å; L53-L93 HydrophobicContact CD1-CD1 3.88Å; L53-L93 HydrophobicContact CD1-CG 4.42Å
54	R	80.1	Confident	69.5	Low	115 Å²	115	86.5 Å²	86.5	43%	0.434	47%	0.474	S	S	.	.			trans	-126.4	146.7	179.8	-73.1	-173.4	174.9	170.1	0.2	110.7	T52 L59	T52-R54 PolarHBondContact O-N 2.88Å; R54-L59 WeakPolarHBondContact CA-O 3.43Å
55	T	81.7	Confident	71.5	Confident	9 Å²	9	79.3 Å²	79.3	6%	0.055	44%	0.441	C	S	.	.			trans	-69.1	168.4	172.5	63.2	0	0	0	0	112.1	C57 S58 L59 G82 L86	T55-C57 PolarHBondContact O-N 3.4Å; T55-C57 VanDerWaalsContact O-N 3.1Å; T55-C57 PolarHBondContact OG1-N 2.99Å; T55-S58 WeakPolarHBondContact O-CA 3.39Å; T55-S58 PolarHBondContact O-N 2.94Å; T55-S58 PolarHBondContact OG1-N 2.92Å; T55-L59 HydrophobicContact CG2-CB 4.26Å; T55-L59 PolarHBondContact N-O 2.89Å; T55-L59 WeakPolarHBondContact OG1-CB 3.32Å; T55-L59 PolarHBondContact OG1-N 3.43Å; T55-L59 PolarHBondContact OG1-O 3.32Å; T55-G82 VanDerWaalsContact CG2-CA 3.41Å; T55-G82 VanDerWaalsContact CG2-O 3.24Å; T55-G82 WeakPolarHBondContact CG2-O 3.31Å; T55-L86 HydrophobicContact CG2-CD1 3.9Å; T55-L86 HydrophobicContact CG2-CD2 4.02Å; T55-L86 HydrophobicContact CG2-CG 3.62Å
56	S	77.5	Confident	73.1	Confident	94 Å²	94	82.9 Å²	82.9	66%	0.657	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-28.9	165.6	56.5	0	0	0	0	115	S58 E85	S56-S58 VanDerWaalsContact C-N 3.34Å; S56-E85 WeakPolarHBondContact CB-OE1 3.39Å; S56-E85 WeakPolarHBondContact CB-OE2 3.41Å; S56-E85 VanDerWaalsContact N-CD 3.31Å; S56-E85 PolarHBondContact N-OE1 2.87Å; S56-E85 PolarHBondContact N-OE2 3Å; S56-E85 VanDerWaalsContact N-OE2 3.11Å; S56-E85 PolarHBondContact OG-OE2 3.41Å
57	C	79.6	Confident	75.2	Confident	81 Å²	81	79.9 Å²	79.9	55%	0.547	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	16	175.4	-66.3	0	0	0	0	113.4	T55 L59	T55-C57 PolarHBondContact O-N 3.4Å; T55-C57 VanDerWaalsContact O-N 3.1Å; T55-C57 PolarHBondContact OG1-N 2.99Å; C57-L59 HydrophobicContact CB-CD1 4.38Å; C57-L59 HydrophobicContact CB-CG 4.34Å; C57-L59 PolarHBondContact O-N 3.19Å
58	S	79.8	Confident	77.1	Confident	81 Å²	81	72.8 Å²	72.8	57%	0.566	39%	0.39	S	S	*	.			trans	59.8	20.2	-178.5	-48.1	0	0	0	0	115.6	T55 S56	T55-S58 WeakPolarHBondContact O-CA 3.39Å; T55-S58 PolarHBondContact O-N 2.94Å; T55-S58 PolarHBondContact OG1-N 2.92Å; S56-S58 VanDerWaalsContact C-N 3.34Å
59	L	83.3	Confident	79	Confident	30 Å²	30	67.6 Å²	67.6	16%	0.157	38%	0.378	C	S	.	.			trans	-80.3	135.9	173.7	-58.8	170.5	0	0	0	111	R54 T55 C57 D63 L67 V78	R54-L59 WeakPolarHBondContact CA-O 3.43Å; T55-L59 HydrophobicContact CG2-CB 4.26Å; T55-L59 PolarHBondContact N-O 2.89Å; T55-L59 WeakPolarHBondContact OG1-CB 3.32Å; T55-L59 PolarHBondContact OG1-N 3.43Å; T55-L59 PolarHBondContact OG1-O 3.32Å; C57-L59 HydrophobicContact CB-CD1 4.38Å; C57-L59 HydrophobicContact CB-CG 4.34Å; C57-L59 PolarHBondContact O-N 3.19Å; L59-D63 HydrophobicContact CB-CB 4.27Å; L59-D63 HydrophobicContact CD2-CB 4.02Å; L59-L67 HydrophobicContact CD1-CD1 3.99Å; L59-L67 HydrophobicContact CD2-CD1 3.83Å; L59-V78 HydrophobicContact CD1-CG1 3.89Å
60	S	86	Confident	81	Confident	18 Å²	18	66.1 Å²	66.1	13%	0.126	37%	0.368	C	S	.	.			trans	-80.8	169.4	166.2	70.9	0	0	0	0	111.4	E62 D63 C64	S60-E62 PolarHBondContact O-N 2.9Å; S60-E62 PolarHBondContact OG-N 3.42Å; S60-D63 WeakPolarHBondContact CB-OD2 3.31Å; S60-D63 PolarHBondContact N-OD2 3.25Å; S60-D63 PolarHBondContact O-N 3.23Å; S60-D63 PolarHBondContact OG-N 3.38Å; S60-D63 PolarHBondContact OG-OD2 3.44Å; S60-C64 PolarHBondContact O-N 3.35Å; S60-C64 PolarHBondContact O-SG 2.67Å
61	L	85.9	Confident	82.6	Confident	21 Å²	21	68.5 Å²	68.5	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-55.5	-39.7	172.4	-177.6	63.3	0	0	0	112	C64 C65 L83 L86 N97 L101	L61-C64 PolarHBondContact O-N 2.98Å; L61-C65 PolarHBondContact O-N 3Å; L61-C65 PolarHBondContact O-SG 3.33Å; L61-L83 HydrophobicContact CD1-CD1 3.54Å; L61-L86 HydrophobicContact CB-CD1 4.19Å; L61-L86 HydrophobicContact CD1-CD1 4.28Å; L61-N97 HydrophobicContact CD2-CB 4.06Å; L61-L101 HydrophobicContact CD1-CD2 3.98Å
62	E	86.9	Confident	84.2	Confident	99 Å²	99	65.1 Å²	65.1	46%	0.463	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-40.1	179.6	-54.9	-147.7	124.2	0	0	112.3	S60 C64 C65 R66 K100	S60-E62 PolarHBondContact O-N 2.9Å; S60-E62 PolarHBondContact OG-N 3.42Å; E62-C64 VanDerWaalsContact C-N 3.33Å; E62-C65 PolarHBondContact O-N 3.3Å; E62-R66 WeakPolarHBondContact O-CG 3.18Å; E62-R66 PolarHBondContact O-N 3.11Å; E62-K100 IonicContact OE1-NZ 2.8Å; E62-K100 PolarHBondContact OE1-NZ 3.31Å
63	D	87.5	Confident	85.5	Confident	60 Å²	60	64.1 Å²	64.1	32%	0.321	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-41.8	176.5	-60.2	-46.7	0	0	0	110.7	L59 S60 R66 L67	L59-D63 HydrophobicContact CB-CB 4.27Å; L59-D63 HydrophobicContact CD2-CB 4.02Å; S60-D63 WeakPolarHBondContact CB-OD2 3.31Å; S60-D63 PolarHBondContact N-OD2 3.25Å; S60-D63 PolarHBondContact O-N 3.23Å; S60-D63 PolarHBondContact OG-N 3.38Å; S60-D63 PolarHBondContact OG-OD2 3.44Å; D63-R66 PolarHBondContact O-N 2.98Å; D63-L67 WeakPolarHBondContact O-CB 3.3Å; D63-L67 WeakPolarHBondContact O-CG 3.24Å; D63-L67 PolarHBondContact O-N 3.23Å
64	C	90.3	Very high	86.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.4	-50.4	174.6	-65	0	0	0	0	110.7	S60 L61 E62 R66 L67 L68	S60-C64 PolarHBondContact O-N 3.35Å; S60-C64 PolarHBondContact O-SG 2.67Å; L61-C64 PolarHBondContact O-N 2.98Å; E62-C64 VanDerWaalsContact C-N 3.33Å; C64-R66 VanDerWaalsContact C-N 3.33Å; C64-R66 PolarHBondContact O-N 2.98Å; C64-L67 PolarHBondContact O-N 3.02Å; C64-L68 WeakPolarHBondContact O-CG 3.48Å; C64-L68 PolarHBondContact O-N 2.97Å
65	C	89.9	Confident	87	Confident	8 Å²	8	62.8 Å²	62.8	5%	0.054	33%	0.333	C	S	.	.	H	α-helix	trans	-58.6	-42.7	178.2	-63.8	0	0	0	0	112.3	L61 E62 L68 C104	L61-C65 PolarHBondContact O-N 3Å; L61-C65 PolarHBondContact O-SG 3.33Å; E62-C65 PolarHBondContact O-N 3.3Å; C65-L68 PolarHBondContact O-N 2.86Å; C65-C104 HydrophobicContact CB-CB 4.41Å
66	R	89.9	Confident	87.5	Confident	172 Å²	172	64.5 Å²	64.5	65%	0.649	34%	0.338	S	S	*	.	H	α-helix	trans	-63.8	-40.8	177	-72.3	175.5	-176.8	-168.4	4.1	112.2	E62 D63 C64 L68 I69	E62-R66 WeakPolarHBondContact O-CG 3.18Å; E62-R66 PolarHBondContact O-N 3.11Å; D63-R66 PolarHBondContact O-N 2.98Å; C64-R66 VanDerWaalsContact C-N 3.33Å; C64-R66 PolarHBondContact O-N 2.98Å; R66-L68 VanDerWaalsContact C-N 3.35Å; R66-I69 PolarHBondContact O-N 2.78Å
67	L	91.4	Very high	88.2	Confident	41 Å²	41	64 Å²	64	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-72.1	-26.6	179.8	-70.4	171.1	0	0	0	112.9	L59 D63 C64 I69 H70 K75 A79	L59-L67 HydrophobicContact CD1-CD1 3.99Å; L59-L67 HydrophobicContact CD2-CD1 3.83Å; D63-L67 WeakPolarHBondContact O-CB 3.3Å; D63-L67 WeakPolarHBondContact O-CG 3.24Å; D63-L67 PolarHBondContact O-N 3.23Å; C64-L67 PolarHBondContact O-N 3.02Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-H70 WeakPolarHBondContact O-CB 3.35Å; L67-H70 PolarHBondContact O-N 3.43Å; L67-K75 HydrophobicContact CD2-CB 4.22Å; L67-K75 HydrophobicContact CD2-CD 3.97Å; L67-K75 HydrophobicContact CD2-CG 4.47Å; L67-A79 HydrophobicContact CB-CB 3.61Å
68	L	90.8	Very high	88.8	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-34.1	174.2	-72.4	173.9	0	0	0	112.8	C64 C65 R66 H70 R76 A79 L80 L83 C104 I105	C64-L68 WeakPolarHBondContact O-CG 3.48Å; C64-L68 PolarHBondContact O-N 2.97Å; C65-L68 PolarHBondContact O-N 2.86Å; R66-L68 VanDerWaalsContact C-N 3.35Å; L68-H70 VanDerWaalsContact C-N 3.34Å; L68-R76 WeakPolarHBondContact O-CD 3.32Å; L68-R76 PolarHBondContact O-NE 3.39Å; L68-A79 HydrophobicContact CD2-CB 3.8Å; L68-A79 HydrophobicContact CG-CB 3.87Å; L68-L80 HydrophobicContact CD1-CD2 4.41Å; L68-L80 HydrophobicContact CD2-CB 4.45Å; L68-L80 HydrophobicContact CD2-CD1 4.4Å; L68-L80 HydrophobicContact CD2-CD2 3.46Å; L68-L80 VanDerWaalsContact CD2-CD2 3.46Å; L68-L80 HydrophobicContact CD2-CG 3.44Å; L68-L80 VanDerWaalsContact CD2-CG 3.44Å; L68-L83 HydrophobicContact CD1-CD2 4.22Å; L68-C104 HydrophobicContact CB-CB 4.42Å; L68-C104 HydrophobicContact CD1-CB 4.19Å; L68-I105 HydrophobicContact CD1-CG1 4.27Å
69	I	87.7	Confident	89.4	Confident	125 Å²	125	59.5 Å²	59.5	64%	0.641	29%	0.288	S	S	*	.	H	α-helix	trans	-77.1	-25.7	179.9	-59.5	167.2	0	0	0	110.9	R66 L67 R76	R66-I69 PolarHBondContact O-N 2.78Å; L67-I69 VanDerWaalsContact C-N 3.33Å; I69-R76 PolarHBondContact O-NH2 3.01Å; I69-R76 VanDerWaalsContact O-NH2 3.15Å
70	H	87.8	Confident	90	Very high	57 Å²	57	58 Å²	58	26%	0.264	28%	0.281	S	S	.	.	S	Bend	trans	-62	138.7	-178.1	-173	-74.8	0	0	0	112.9	L67 L68 N72 K75 R76	L67-H70 WeakPolarHBondContact O-CB 3.35Å; L67-H70 PolarHBondContact O-N 3.43Å; L68-H70 VanDerWaalsContact C-N 3.34Å; H70-N72 VanDerWaalsContact C-N 3.34Å; H70-N72 WeakPolarHBondContact CE1-CB 3.32Å; H70-N72 VanDerWaalsContact ND1-CB 3.3Å; H70-N72 WeakPolarHBondContact ND1-CB 3.43Å; H70-N72 PolarHBondContact ND1-N 2.75Å; H70-N72 PolarHBondContact O-N 2.91Å; H70-K75 PolarHBondContact NE2-NZ 3.2Å; H70-K75 VanDerWaalsContact NE2-NZ 3.15Å; H70-R76 PolarHBondContact O-NE 3.26Å; H70-R76 PolarHBondContact O-NH2 2.94Å
71	H	86.3	Confident	90.3	Very high	154 Å²	154	64.8 Å²	64.8	71%	0.713	30%	0.304	S	S	*	.	S	Bend	trans	-62.3	-31.2	-175.5	65.8	-85.6	0	0	0	115	M73	H71-M73 PolarHBondContact O-N 3.43Å
72	N	91.2	Very high	90.6	Very high	62 Å²	62	64 Å²	64	33%	0.332	30%	0.301	S	S	.	.			trans	-66.9	114.6	179.1	-176	-20.7	0	0	0	112.6	H70 S74 K75 R76	H70-N72 VanDerWaalsContact C-N 3.34Å; H70-N72 WeakPolarHBondContact CE1-CB 3.32Å; H70-N72 VanDerWaalsContact ND1-CB 3.3Å; H70-N72 WeakPolarHBondContact ND1-CB 3.43Å; H70-N72 PolarHBondContact ND1-N 2.75Å; H70-N72 PolarHBondContact O-N 2.91Å; N72-S74 VanDerWaalsContact C-N 3.33Å; N72-S74 PolarHBondContact O-N 3.17Å; N72-S74 WeakPolarHBondContact OD1-CB 3.44Å; N72-S74 PolarHBondContact OD1-N 2.88Å; N72-K75 HydrophobicContact CB-CB 4.47Å; N72-K75 HydrophobicContact CB-CD 4.34Å; N72-K75 HydrophobicContact CB-CG 4.23Å; N72-K75 WeakPolarHBondContact O-CB 3.25Å; N72-K75 PolarHBondContact O-N 3.47Å; N72-K75 VanDerWaalsContact O-N 3.14Å; N72-R76 PolarHBondContact O-N 3.42Å
73	M	90.4	Very high	90.8	Very high	48 Å²	48	59.3 Å²	59.3	24%	0.236	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-33.6	-178.3	-52.9	-53.9	-98.6	0	0	113.7	H71 K75 R76 R77 A111 A112 D113 V116	H71-M73 PolarHBondContact O-N 3.43Å; M73-K75 VanDerWaalsContact C-N 3.3Å; M73-K75 PolarHBondContact O-N 3.07Å; M73-R76 PolarHBondContact O-N 2.84Å; M73-R77 WeakPolarHBondContact O-CG 3.33Å; M73-R77 PolarHBondContact O-N 3.43Å; M73-A111 HydrophobicContact CE-CB 3.71Å; M73-A112 HydrophobicContact CE-CB 4.44Å; M73-D113 HydrophobicContact CB-CB 4.26Å; M73-D113 HydrophobicContact CE-CB 3.41Å; M73-D113 VanDerWaalsContact CE-CB 3.41Å; M73-D113 HydrophobicContact CG-CB 4.24Å; M73-V116 HydrophobicContact CB-CG2 4.44Å; M73-V116 HydrophobicContact CE-CG2 4.48Å
74	S	91.3	Very high	91	Very high	73 Å²	73	57.9 Å²	57.9	51%	0.51	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-37.9	176.9	-60.3	0	0	0	0	111.6	N72 R77 V78	N72-S74 VanDerWaalsContact C-N 3.33Å; N72-S74 PolarHBondContact O-N 3.17Å; N72-S74 WeakPolarHBondContact OD1-CB 3.44Å; N72-S74 PolarHBondContact OD1-N 2.88Å; S74-R77 PolarHBondContact O-N 3.49Å; S74-V78 WeakPolarHBondContact O-CG2 3.37Å; S74-V78 PolarHBondContact O-N 2.84Å
75	K	90.9	Very high	91.1	Very high	84 Å²	84	60.5 Å²	60.5	37%	0.365	28%	0.283	S	S	.	.	H	α-helix	trans	-67.4	-40.6	174.4	-66.5	-172	-175.8	178	0	111.3	L67 H70 N72 M73 R77 V78 A79	L67-K75 HydrophobicContact CD2-CB 4.22Å; L67-K75 HydrophobicContact CD2-CD 3.97Å; L67-K75 HydrophobicContact CD2-CG 4.47Å; H70-K75 PolarHBondContact NE2-NZ 3.2Å; H70-K75 VanDerWaalsContact NE2-NZ 3.15Å; N72-K75 HydrophobicContact CB-CB 4.47Å; N72-K75 HydrophobicContact CB-CD 4.34Å; N72-K75 HydrophobicContact CB-CG 4.23Å; N72-K75 WeakPolarHBondContact O-CB 3.25Å; N72-K75 PolarHBondContact O-N 3.47Å; N72-K75 VanDerWaalsContact O-N 3.14Å; M73-K75 VanDerWaalsContact C-N 3.3Å; M73-K75 PolarHBondContact O-N 3.07Å; K75-R77 PolarHBondContact O-N 3.35Å; K75-V78 PolarHBondContact O-N 3.22Å; K75-A79 WeakPolarHBondContact O-CB 3.39Å; K75-A79 PolarHBondContact O-N 3.33Å
76	R	92.9	Very high	91.1	Very high	45 Å²	45	60.2 Å²	60.2	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-41.7	174.7	-63.1	-169.8	-179	-167.6	-5.6	112.4	L68 I69 H70 N72 M73 A79 L80 V116	L68-R76 WeakPolarHBondContact O-CD 3.32Å; L68-R76 PolarHBondContact O-NE 3.39Å; I69-R76 PolarHBondContact O-NH2 3.01Å; I69-R76 VanDerWaalsContact O-NH2 3.15Å; H70-R76 PolarHBondContact O-NE 3.26Å; H70-R76 PolarHBondContact O-NH2 2.94Å; N72-R76 PolarHBondContact O-N 3.42Å; M73-R76 PolarHBondContact O-N 2.84Å; R76-A79 PolarHBondContact O-N 2.89Å; R76-L80 WeakPolarHBondContact O-CG 3.35Å; R76-L80 PolarHBondContact O-N 2.86Å; R76-V116 HydrophobicContact CB-CG1 4.44Å; R76-V116 HydrophobicContact CB-CG2 4.1Å
77	R	93.2	Very high	91.1	Very high	82 Å²	82	52.1 Å²	52.1	31%	0.309	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-47	175.6	-70.2	177.2	-175.2	174.3	-3.4	112.1	M73 S74 K75 A79 L80 R81 D113 V115 V116 L119	M73-R77 WeakPolarHBondContact O-CG 3.33Å; M73-R77 PolarHBondContact O-N 3.43Å; S74-R77 PolarHBondContact O-N 3.49Å; K75-R77 PolarHBondContact O-N 3.35Å; R77-A79 VanDerWaalsContact C-N 3.33Å; R77-L80 PolarHBondContact O-N 3.28Å; R77-R81 WeakPolarHBondContact O-CG 3.28Å; R77-R81 PolarHBondContact O-N 2.81Å; R77-R81 VanDerWaalsContact O-N 3.08Å; R77-D113 IonicContact CZ-OD1 3.76Å; R77-D113 IonicContact CZ-OD2 3.2Å; R77-D113 IonicContact NE-OD2 2.73Å; R77-D113 PolarHBondContact NE-OD2 3.35Å; R77-D113 IonicContact NH2-OD1 2.71Å; R77-D113 PolarHBondContact NH2-OD1 2.9Å; R77-D113 IonicContact NH2-OD2 2.89Å; R77-D113 PolarHBondContact NH2-OD2 2.91Å; R77-V115 HydrophobicContact CG-CG1 4.21Å; R77-V116 HydrophobicContact CG-CG2 3.61Å; R77-L119 HydrophobicContact CB-CD1 4.35Å; R77-L119 HydrophobicContact CG-CD1 4.49Å
78	V	91.8	Very high	90.9	Very high	68 Å²	68	54.3 Å²	54.3	41%	0.412	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-43.8	177	174.5	0	0	0	0	110.2	L59 S74 K75 R81 G82	L59-V78 HydrophobicContact CD1-CG1 3.89Å; S74-V78 WeakPolarHBondContact O-CG2 3.37Å; S74-V78 PolarHBondContact O-N 2.84Å; K75-V78 PolarHBondContact O-N 3.22Å; V78-R81 PolarHBondContact O-N 2.95Å; V78-G82 PolarHBondContact O-N 3.21Å
79	A	93.1	Very high	90.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-42.1	178.6	0	0	0	0	0	113.2	L67 L68 K75 R76 R77 G82 L83	L67-A79 HydrophobicContact CB-CB 3.61Å; L68-A79 HydrophobicContact CD2-CB 3.8Å; L68-A79 HydrophobicContact CG-CB 3.87Å; K75-A79 WeakPolarHBondContact O-CB 3.39Å; K75-A79 PolarHBondContact O-N 3.33Å; R76-A79 PolarHBondContact O-N 2.89Å; R77-A79 VanDerWaalsContact C-N 3.33Å; A79-G82 PolarHBondContact O-N 3.27Å; A79-L83 VanDerWaalsContact O-CB 3.3Å; A79-L83 WeakPolarHBondContact O-CB 3.12Å; A79-L83 PolarHBondContact O-N 3.41Å
80	L	94.2	Very high	90.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.7	-40.9	177	-73	170.6	0	0	0	112.3	L68 R76 R77 L83 L84 V116 L119 T120	L68-L80 HydrophobicContact CD1-CD2 4.41Å; L68-L80 HydrophobicContact CD2-CB 4.45Å; L68-L80 HydrophobicContact CD2-CD1 4.4Å; L68-L80 HydrophobicContact CD2-CD2 3.46Å; L68-L80 VanDerWaalsContact CD2-CD2 3.46Å; L68-L80 HydrophobicContact CD2-CG 3.44Å; L68-L80 VanDerWaalsContact CD2-CG 3.44Å; R76-L80 WeakPolarHBondContact O-CG 3.35Å; R76-L80 PolarHBondContact O-N 2.86Å; R77-L80 PolarHBondContact O-N 3.28Å; L80-L83 PolarHBondContact O-N 2.99Å; L80-L84 WeakPolarHBondContact O-CG 3.16Å; L80-L84 PolarHBondContact O-N 3.05Å; L80-V116 HydrophobicContact CD1-CB 4.42Å; L80-V116 HydrophobicContact CD1-CG1 3.84Å; L80-V116 WeakPolarHBondContact CD1-O 3.39Å; L80-L119 HydrophobicContact CB-CB 3.82Å; L80-L119 HydrophobicContact CB-CD1 4.26Å; L80-L119 HydrophobicContact CD1-CB 3.66Å; L80-L119 HydrophobicContact CG-CB 4.33Å; L80-T120 WeakPolarHBondContact CD1-OG1 3.43Å
81	R	93.3	Very high	90.3	Very high	160 Å²	160	56.3 Å²	56.3	60%	0.604	29%	0.287	S	S	*	.	H	α-helix	trans	-64	-44.7	174.6	-73.6	-179.5	-179.1	178.7	-1.4	111.5	R77 V78 L83 L84 E85 L119	R77-R81 WeakPolarHBondContact O-CG 3.28Å; R77-R81 PolarHBondContact O-N 2.81Å; R77-R81 VanDerWaalsContact O-N 3.08Å; V78-R81 PolarHBondContact O-N 2.95Å; R81-L83 VanDerWaalsContact C-N 3.28Å; R81-L83 PolarHBondContact O-N 3.34Å; R81-L84 PolarHBondContact O-N 3.35Å; R81-E85 PolarHBondContact O-N 2.71Å; R81-L119 HydrophobicContact CG-CD1 4.02Å; R81-L119 HydrophobicContact CG-CD2 4.06Å
82	G	91.4	Very high	90.2	Very high	5 Å²	5	51.8 Å²	51.8	5%	0.052	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-40.1	174.5	0	0	0	0	0	112	T55 V78 A79 E85 L86	T55-G82 VanDerWaalsContact CG2-CA 3.41Å; T55-G82 VanDerWaalsContact CG2-O 3.24Å; T55-G82 WeakPolarHBondContact CG2-O 3.31Å; V78-G82 PolarHBondContact O-N 3.21Å; A79-G82 PolarHBondContact O-N 3.27Å; G82-E85 WeakPolarHBondContact O-CB 3.45Å; G82-E85 PolarHBondContact O-N 3.37Å; G82-L86 WeakPolarHBondContact O-CG 3.44Å; G82-L86 PolarHBondContact O-N 2.97Å
83	L	91.9	Very high	89.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-42.2	177.2	-175.7	64.2	0	0	0	112.7	L61 L68 A79 L80 R81 E85 L86 L87 L101 I105	L61-L83 HydrophobicContact CD1-CD1 3.54Å; L68-L83 HydrophobicContact CD1-CD2 4.22Å; A79-L83 VanDerWaalsContact O-CB 3.3Å; A79-L83 WeakPolarHBondContact O-CB 3.12Å; A79-L83 PolarHBondContact O-N 3.41Å; L80-L83 PolarHBondContact O-N 2.99Å; R81-L83 VanDerWaalsContact C-N 3.28Å; R81-L83 PolarHBondContact O-N 3.34Å; L83-E85 VanDerWaalsContact C-N 3.3Å; L83-E85 PolarHBondContact O-N 2.63Å; L83-L86 PolarHBondContact O-N 2.83Å; L83-L87 HydrophobicContact CD1-CD1 4.31Å; L83-L87 HydrophobicContact CD1-CG 4.28Å; L83-L87 HydrophobicContact CG-CD1 4.05Å; L83-L87 HydrophobicContact CG-CG 4.43Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 VanDerWaalsContact O-CG 3.31Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.48Å; L83-L101 HydrophobicContact CD1-CD2 3.59Å; L83-L101 HydrophobicContact CD2-CD2 4.18Å; L83-L101 HydrophobicContact CG-CD2 4.47Å; L83-I105 HydrophobicContact CD2-CD1 3.44Å; L83-I105 VanDerWaalsContact CD2-CD1 3.44Å; L83-I105 HydrophobicContact CD2-CG1 3.57Å
84	L	92.4	Very high	89.5	Confident	30 Å²	30	47.8 Å²	47.8	16%	0.157	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-42.2	173.4	-77.1	167.2	0	0	0	111.6	L80 R81 S88 L119 Q122 A123 L126	L80-L84 WeakPolarHBondContact O-CG 3.16Å; L80-L84 PolarHBondContact O-N 3.05Å; R81-L84 PolarHBondContact O-N 3.35Å; L84-S88 WeakPolarHBondContact O-CB 3.29Å; L84-S88 PolarHBondContact O-N 3.46Å; L84-S88 PolarHBondContact O-OG 3.03Å; L84-L119 HydrophobicContact CD1-CD2 4.07Å; L84-Q122 HydrophobicContact CD1-CB 4.31Å; L84-Q122 HydrophobicContact CD2-CB 4.37Å; L84-A123 HydrophobicContact CD2-CB 4.06Å; L84-A123 HydrophobicContact CG-CB 4.28Å; L84-L126 HydrophobicContact CD2-CB 4.43Å; L84-L126 HydrophobicContact CD2-CD1 4.11Å
85	E	91.8	Very high	89.2	Confident	55 Å²	55	46.5 Å²	46.5	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-60.4	-52.1	175.1	-170.4	-178.1	169.5	0	0	110.8	S56 R81 G82 L83 L87 S88 M89	S56-E85 WeakPolarHBondContact CB-OE1 3.39Å; S56-E85 WeakPolarHBondContact CB-OE2 3.41Å; S56-E85 VanDerWaalsContact N-CD 3.31Å; S56-E85 PolarHBondContact N-OE1 2.87Å; S56-E85 PolarHBondContact N-OE2 3Å; S56-E85 VanDerWaalsContact N-OE2 3.11Å; S56-E85 PolarHBondContact OG-OE2 3.41Å; R81-E85 PolarHBondContact O-N 2.71Å; G82-E85 WeakPolarHBondContact O-CB 3.45Å; G82-E85 PolarHBondContact O-N 3.37Å; L83-E85 VanDerWaalsContact C-N 3.3Å; L83-E85 PolarHBondContact O-N 2.63Å; E85-L87 PolarHBondContact O-N 2.9Å; E85-S88 PolarHBondContact O-N 2.87Å; E85-S88 VanDerWaalsContact O-N 3.11Å; E85-S88 PolarHBondContact O-OG 3.3Å; E85-M89 HydrophobicContact CG-SD 4.24Å; E85-M89 WeakPolarHBondContact O-CG 3.18Å; E85-M89 PolarHBondContact O-N 2.91Å
86	L	89.8	Confident	89	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-45.8	179.7	-70.5	172.6	0	0	0	112.9	L53 T55 L61 G82 L83 S88 M89 D90 L93	L53-L86 HydrophobicContact CB-CD2 4.17Å; T55-L86 HydrophobicContact CG2-CD1 3.9Å; T55-L86 HydrophobicContact CG2-CD2 4.02Å; T55-L86 HydrophobicContact CG2-CG 3.62Å; L61-L86 HydrophobicContact CB-CD1 4.19Å; L61-L86 HydrophobicContact CD1-CD1 4.28Å; G82-L86 WeakPolarHBondContact O-CG 3.44Å; G82-L86 PolarHBondContact O-N 2.97Å; L83-L86 PolarHBondContact O-N 2.83Å; L86-S88 PolarHBondContact O-N 3.35Å; L86-M89 PolarHBondContact O-N 2.94Å; L86-D90 PolarHBondContact O-N 2.88Å; L86-L93 HydrophobicContact CB-CD1 4.33Å
87	L	89	Confident	88.8	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-67.8	-25.8	179.4	-67.1	173.3	0	0	0	112.6	L83 E85 L93 L101 L126 L130	L83-L87 HydrophobicContact CD1-CD1 4.31Å; L83-L87 HydrophobicContact CD1-CG 4.28Å; L83-L87 HydrophobicContact CG-CD1 4.05Å; L83-L87 HydrophobicContact CG-CG 4.43Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 VanDerWaalsContact O-CG 3.31Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.48Å; E85-L87 PolarHBondContact O-N 2.9Å; L87-L93 HydrophobicContact CD2-CB 4.38Å; L87-L101 HydrophobicContact CD2-CD1 4.05Å; L87-L126 HydrophobicContact CB-CD2 3.46Å; L87-L126 VanDerWaalsContact CB-CD2 3.46Å; L87-L126 HydrophobicContact CD1-CD2 3.91Å; L87-L126 HydrophobicContact CG-CD2 4.28Å; L87-L130 HydrophobicContact CB-CD1 4.33Å; L87-L130 HydrophobicContact CD2-CD1 4.46Å
88	S	87.5	Confident	88.7	Confident	86 Å²	86	42.9 Å²	42.9	60%	0.601	24%	0.243	S	C	*	.	H	α-helix	trans	-78	-29.3	173.4	73.2	0	0	0	0	113.2	L84 E85 L86	L84-S88 WeakPolarHBondContact O-CB 3.29Å; L84-S88 PolarHBondContact O-N 3.46Å; L84-S88 PolarHBondContact O-OG 3.03Å; E85-S88 PolarHBondContact O-N 2.87Å; E85-S88 VanDerWaalsContact O-N 3.11Å; E85-S88 PolarHBondContact O-OG 3.3Å; L86-S88 PolarHBondContact O-N 3.35Å
89	M	86.4	Confident	88.7	Confident	110 Å²	110	41.7 Å²	41.7	54%	0.542	24%	0.238	S	C	.	.	H	α-helix	trans	-77.5	-40.7	178	-67.6	178.3	93.9	0	0	112.1	E85 L86	E85-M89 HydrophobicContact CG-SD 4.24Å; E85-M89 WeakPolarHBondContact O-CG 3.18Å; E85-M89 PolarHBondContact O-N 2.91Å; L86-M89 PolarHBondContact O-N 2.94Å
90	D	83.9	Confident	88.6	Confident	45 Å²	45	45.2 Å²	45.2	24%	0.241	25%	0.253	C	S	.	.			trans	-139	104	177.3	-179.6	9	0	0	0	111.3	L53 L86 S92 L93	L53-D90 HydrophobicContact CD1-CB 3.35Å; L86-D90 PolarHBondContact O-N 2.88Å; D90-S92 PolarHBondContact O-N 2.82Å; D90-S92 VanDerWaalsContact OD1-CB 3.24Å; D90-S92 WeakPolarHBondContact OD1-CB 3.15Å; D90-S92 PolarHBondContact OD1-N 3.32Å; D90-S92 PolarHBondContact OD1-OG 3.45Å; D90-S92 PolarHBondContact OD2-OG 3.5Å; D90-L93 HydrophobicContact CB-CD1 3.97Å; D90-L93 HydrophobicContact CB-CG 3.93Å; D90-L93 WeakPolarHBondContact O-CB 3.48Å; D90-L93 PolarHBondContact O-N 3.5Å
91	S	83.8	Confident	88.5	Confident	72 Å²	72	45.2 Å²	45.2	50%	0.503	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.5	177	60.6	0	0	0	0	113.7	L93 G94	S91-L93 PolarHBondContact O-N 2.83Å; S91-G94 PolarHBondContact O-N 2.88Å
92	S	84.4	Confident	88.5	Confident	58 Å²	58	37.6 Å²	37.6	41%	0.406	22%	0.224	S	C	.	.	H	α-helix	trans	-70.2	-21.3	-179.2	79.4	0	0	0	0	112.7	D90 G94 S95 S96	D90-S92 PolarHBondContact O-N 2.82Å; D90-S92 VanDerWaalsContact OD1-CB 3.24Å; D90-S92 WeakPolarHBondContact OD1-CB 3.15Å; D90-S92 PolarHBondContact OD1-N 3.32Å; D90-S92 PolarHBondContact OD1-OG 3.45Å; D90-S92 PolarHBondContact OD2-OG 3.5Å; S92-G94 PolarHBondContact O-N 2.78Å; S92-S95 PolarHBondContact O-N 3.29Å; S92-S95 PolarHBondContact O-OG 3.31Å; S92-S96 WeakPolarHBondContact O-CB 3.25Å; S92-S96 PolarHBondContact O-N 3.49Å; S92-S96 VanDerWaalsContact O-N 3.11Å; S92-S96 PolarHBondContact O-OG 3.42Å
93	L	83.5	Confident	88.5	Confident	27 Å²	27	42.6 Å²	42.6	14%	0.141	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-33.5	172.9	-66.5	176.9	0	0	0	112.1	L53 L86 L87 D90 S91 S96 N97	L53-L93 HydrophobicContact CD1-CD1 3.88Å; L53-L93 HydrophobicContact CD1-CG 4.42Å; L86-L93 HydrophobicContact CB-CD1 4.33Å; L87-L93 HydrophobicContact CD2-CB 4.38Å; D90-L93 HydrophobicContact CB-CD1 3.97Å; D90-L93 HydrophobicContact CB-CG 3.93Å; D90-L93 WeakPolarHBondContact O-CB 3.48Å; D90-L93 PolarHBondContact O-N 3.5Å; S91-L93 PolarHBondContact O-N 2.83Å; L93-S96 WeakPolarHBondContact CA-OG 3.46Å; L93-S96 PolarHBondContact O-OG 3.19Å; L93-N97 WeakPolarHBondContact O-CB 3.36Å; L93-N97 PolarHBondContact O-N 2.88Å; L93-N97 VanDerWaalsContact O-N 3.15Å; L93-N97 PolarHBondContact O-ND2 3.38Å
94	G	83.6	Confident	88.5	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-46.3	-178.9	0	0	0	0	0	112.7	S91 S92 L98	S91-G94 PolarHBondContact O-N 2.88Å; S92-G94 PolarHBondContact O-N 2.78Å; G94-L98 WeakPolarHBondContact O-CA 3.29Å; G94-L98 PolarHBondContact O-N 3.48Å
95	S	85	Confident	88.5	Confident	46 Å²	46	41.5 Å²	41.5	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-76.9	-36.7	-179.1	59.2	0	0	0	0	112.7	S92	S92-S95 PolarHBondContact O-N 3.29Å; S92-S95 PolarHBondContact O-OG 3.31Å
96	S	86.9	Confident	88.6	Confident	79 Å²	79	38.9 Å²	38.9	55%	0.552	23%	0.229	S	C	*	.	H	α-helix	trans	-71	-33.9	179.6	55.1	0	0	0	0	113.9	S92 L93	S92-S96 WeakPolarHBondContact O-CB 3.25Å; S92-S96 PolarHBondContact O-N 3.49Å; S92-S96 VanDerWaalsContact O-N 3.11Å; S92-S96 PolarHBondContact O-OG 3.42Å; L93-S96 WeakPolarHBondContact CA-OG 3.46Å; L93-S96 PolarHBondContact O-OG 3.19Å
97	N	88.5	Confident	88.8	Confident	49 Å²	49	41.5 Å²	41.5	26%	0.262	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	22.5	-176.7	-64.5	-81.9	0	0	0	113.5	L61 L93 S99 K100 L101	L61-N97 HydrophobicContact CD2-CB 4.06Å; L93-N97 WeakPolarHBondContact O-CB 3.36Å; L93-N97 PolarHBondContact O-N 2.88Å; L93-N97 VanDerWaalsContact O-N 3.15Å; L93-N97 PolarHBondContact O-ND2 3.38Å; N97-S99 PolarHBondContact O-N 2.98Å; N97-K100 PolarHBondContact O-N 2.84Å; N97-K100 VanDerWaalsContact O-N 3.16Å; N97-L101 HydrophobicContact CB-CD1 4.28Å; N97-L101 HydrophobicContact CB-CG 4.21Å; N97-L101 WeakPolarHBondContact O-CG 3.3Å; N97-L101 PolarHBondContact O-N 3.32Å
98	L	90.4	Very high	88.9	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-51.3	-48.6	-169.4	-176.3	57.3	0	0	0	114.2	G94 K100 L101 L102 L127 V131 Q135 L136 Y139	G94-L98 WeakPolarHBondContact O-CA 3.29Å; G94-L98 PolarHBondContact O-N 3.48Å; L98-K100 PolarHBondContact O-N 2.87Å; L98-L101 PolarHBondContact O-N 3.47Å; L98-L102 HydrophobicContact CD1-CD1 3.79Å; L98-L102 HydrophobicContact CD1-CD2 4.5Å; L98-L102 HydrophobicContact CD1-CG 3.94Å; L98-L102 HydrophobicContact CG-CD1 3.93Å; L98-L102 HydrophobicContact CG-CG 4.45Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 3.14Å; L98-L127 HydrophobicContact CD1-CD1 4.19Å; L98-L127 HydrophobicContact CD1-CD2 3.97Å; L98-L127 HydrophobicContact CD1-CG 4.17Å; L98-V131 HydrophobicContact CD1-CG1 4.46Å; L98-V131 HydrophobicContact CD1-CG2 3.88Å; L98-V131 HydrophobicContact CD2-CG1 3.73Å; L98-V131 HydrophobicContact CD2-CG2 4.44Å; L98-Q135 HydrophobicContact CD2-CB 4.44Å; L98-L136 HydrophobicContact CD1-CD1 4.42Å; L98-L136 HydrophobicContact CD2-CD1 4.35Å; L98-Y139 HydrophobicContact CB-CE2 4.49Å; L98-Y139 HydrophobicContact CD2-CD2 3.75Å; L98-Y139 HydrophobicContact CD2-CE2 3.63Å; L98-Y139 HydrophobicContact CG-CD2 4.12Å; L98-Y139 HydrophobicContact CG-CE2 3.94Å
99	S	91.5	Very high	89.1	Confident	42 Å²	42	37.4 Å²	37.4	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-57.4	-52.6	179.2	-159.7	0	0	0	0	111.7	N97 L101 L102 E103 Y139	N97-S99 PolarHBondContact O-N 2.98Å; S99-L101 VanDerWaalsContact C-N 3.3Å; S99-L101 PolarHBondContact O-N 3.49Å; S99-L102 PolarHBondContact O-N 2.88Å; S99-E103 WeakPolarHBondContact O-CB 3.3Å; S99-E103 VanDerWaalsContact O-CG 3.3Å; S99-E103 WeakPolarHBondContact O-CG 3.47Å; S99-E103 PolarHBondContact O-N 3.43Å; S99-E103 PolarHBondContact OG-OE1 2.79Å; S99-Y139 WeakPolarHBondContact CB-OH 3.33Å; S99-Y139 WeakPolarHBondContact OG-CE1 3.46Å
100	K	90.9	Very high	89.3	Confident	74 Å²	74	34.5 Å²	34.5	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-40	-177.5	-171.2	175.5	-177	176.7	0	111.2	E62 N97 L98 C104	E62-K100 IonicContact OE1-NZ 2.8Å; E62-K100 PolarHBondContact OE1-NZ 3.31Å; N97-K100 PolarHBondContact O-N 2.84Å; N97-K100 VanDerWaalsContact O-N 3.16Å; L98-K100 PolarHBondContact O-N 2.87Å; K100-C104 PolarHBondContact O-N 3.25Å; K100-C104 PolarHBondContact O-SG 3.49Å
101	L	93	Very high	89.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-49.8	176.3	-71.2	177	0	0	0	111.4	L61 L83 L87 N97 L98 S99 E103 C104 I105 L127	L61-L101 HydrophobicContact CD1-CD2 3.98Å; L83-L101 HydrophobicContact CD1-CD2 3.59Å; L83-L101 HydrophobicContact CD2-CD2 4.18Å; L83-L101 HydrophobicContact CG-CD2 4.47Å; L87-L101 HydrophobicContact CD2-CD1 4.05Å; N97-L101 HydrophobicContact CB-CD1 4.28Å; N97-L101 HydrophobicContact CB-CG 4.21Å; N97-L101 WeakPolarHBondContact O-CG 3.3Å; N97-L101 PolarHBondContact O-N 3.32Å; L98-L101 PolarHBondContact O-N 3.47Å; S99-L101 VanDerWaalsContact C-N 3.3Å; S99-L101 PolarHBondContact O-N 3.49Å; L101-E103 PolarHBondContact O-N 3.39Å; L101-C104 PolarHBondContact O-N 3.3Å; L101-C104 PolarHBondContact O-SG 2.84Å; L101-I105 HydrophobicContact CB-CD1 4.04Å; L101-I105 HydrophobicContact CD2-CD1 4.34Å; L101-I105 VanDerWaalsContact O-CB 3.25Å; L101-I105 WeakPolarHBondContact O-CB 3.38Å; L101-I105 VanDerWaalsContact O-CD1 3.28Å; L101-I105 WeakPolarHBondContact O-CD1 3.15Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 3.33Å; L101-L127 HydrophobicContact CB-CD2 4.26Å; L101-L127 HydrophobicContact CD1-CD1 3.92Å
102	L	92.9	Very high	89.7	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-44.2	179.7	-69.1	174.4	0	0	0	111.7	L98 S99 C104 L106 L127 M128 L136 Y139 L142 I143	L98-L102 HydrophobicContact CD1-CD1 3.79Å; L98-L102 HydrophobicContact CD1-CD2 4.5Å; L98-L102 HydrophobicContact CD1-CG 3.94Å; L98-L102 HydrophobicContact CG-CD1 3.93Å; L98-L102 HydrophobicContact CG-CG 4.45Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 3.14Å; S99-L102 PolarHBondContact O-N 2.88Å; L102-C104 VanDerWaalsContact C-N 3.32Å; L102-C104 PolarHBondContact O-N 3.41Å; L102-L106 HydrophobicContact CB-CD1 4Å; L102-L106 HydrophobicContact CD2-CD1 4.08Å; L102-L106 HydrophobicContact CD2-CG 4.4Å; L102-L106 VanDerWaalsContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CD1 3.3Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 2.72Å; L102-L106 VanDerWaalsContact O-N 3.07Å; L102-L127 HydrophobicContact CD2-CD2 3.7Å; L102-L127 HydrophobicContact CG-CD2 4.22Å; L102-M128 HydrophobicContact CD2-CE 4.3Å; L102-L136 HydrophobicContact CD1-CD1 4.3Å; L102-Y139 HydrophobicContact CD1-CD1 3.92Å; L102-Y139 HydrophobicContact CD1-CD2 4.18Å; L102-Y139 HydrophobicContact CD1-CG 3.61Å; L102-L142 HydrophobicContact CB-CD2 4.27Å; L102-I143 HydrophobicContact CD1-CD1 4.26Å; L102-I143 HydrophobicContact CD1-CG1 4.49Å; L102-I143 HydrophobicContact CD2-CD1 4.3Å; L102-I143 HydrophobicContact CD2-CG1 4.31Å
103	E	91.8	Very high	90.1	Very high	109 Å²	109	32 Å²	32	51%	0.509	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-35.8	178.7	-74.6	166.8	-144.5	0	0	113.3	S99 L101 P107	S99-E103 WeakPolarHBondContact O-CB 3.3Å; S99-E103 VanDerWaalsContact O-CG 3.3Å; S99-E103 WeakPolarHBondContact O-CG 3.47Å; S99-E103 PolarHBondContact O-N 3.43Å; S99-E103 PolarHBondContact OG-OE1 2.79Å; L101-E103 PolarHBondContact O-N 3.39Å; E103-P107 WeakPolarHBondContact O-CD 3.3Å; E103-P107 WeakPolarHBondContact O-CG 3.39Å
104	C	91.3	Very high	90.4	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.054	21%	0.21	C	C	.	.	H	α-helix	trans	-90.3	-30	-178.8	70.2	0	0	0	0	113.9	C65 L68 K100 L101 L102	C65-C104 HydrophobicContact CB-CB 4.41Å; L68-C104 HydrophobicContact CB-CB 4.42Å; L68-C104 HydrophobicContact CD1-CB 4.19Å; K100-C104 PolarHBondContact O-N 3.25Å; K100-C104 PolarHBondContact O-SG 3.49Å; L101-C104 PolarHBondContact O-N 3.3Å; L101-C104 PolarHBondContact O-SG 2.84Å; L102-C104 VanDerWaalsContact C-N 3.32Å; L102-C104 PolarHBondContact O-N 3.41Å
105	I	93.6	Very high	90.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-83.6	-48.2	-176.5	-61.3	164.9	0	0	0	111.3	L68 L83 L101 S108 T120 A123 V124	L68-I105 HydrophobicContact CD1-CG1 4.27Å; L83-I105 HydrophobicContact CD2-CD1 3.44Å; L83-I105 VanDerWaalsContact CD2-CD1 3.44Å; L83-I105 HydrophobicContact CD2-CG1 3.57Å; L101-I105 HydrophobicContact CB-CD1 4.04Å; L101-I105 HydrophobicContact CD2-CD1 4.34Å; L101-I105 VanDerWaalsContact O-CB 3.25Å; L101-I105 WeakPolarHBondContact O-CB 3.38Å; L101-I105 VanDerWaalsContact O-CD1 3.28Å; L101-I105 WeakPolarHBondContact O-CD1 3.15Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 3.33Å; I105-S108 VanDerWaalsContact O-CB 3.29Å; I105-S108 WeakPolarHBondContact O-CB 3.25Å; I105-S108 PolarHBondContact O-N 3.14Å; I105-T120 HydrophobicContact CG2-CG2 3.78Å; I105-T120 WeakPolarHBondContact O-CG2 3.33Å; I105-A123 HydrophobicContact CG2-CB 4.34Å; I105-V124 HydrophobicContact CG2-CG2 3.44Å; I105-V124 VanDerWaalsContact CG2-CG2 3.44Å
106	L	93.7	Very high	91.2	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-60.9	-36.7	-171.1	-68.3	170.5	0	0	0	114.5	L102 S108 L109 V124 L142 I143 H146	L102-L106 HydrophobicContact CB-CD1 4Å; L102-L106 HydrophobicContact CD2-CD1 4.08Å; L102-L106 HydrophobicContact CD2-CG 4.4Å; L102-L106 VanDerWaalsContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CD1 3.3Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 2.72Å; L102-L106 VanDerWaalsContact O-N 3.07Å; L106-S108 PolarHBondContact O-N 3.39Å; L106-S108 VanDerWaalsContact O-N 3.14Å; L106-L109 WeakPolarHBondContact O-CB 3.25Å; L106-L109 PolarHBondContact O-N 3.07Å; L106-V124 HydrophobicContact CD2-CG2 4.14Å; L106-L142 HydrophobicContact CD1-CD2 3.24Å; L106-I143 HydrophobicContact CD1-CG1 3.98Å; L106-H146 HydrophobicContact CB-CB 4.05Å
107	P	92.8	Very high	91.5	Very high	55 Å²	55	30.8 Å²	30.8	36%	0.357	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-61.3	-20.9	173.3	-24.3	34.5	0	0	0	114.1	E103 L109	E103-P107 WeakPolarHBondContact O-CD 3.3Å; E103-P107 WeakPolarHBondContact O-CG 3.39Å; P107-L109 PolarHBondContact O-N 3.32Å
108	S	92.5	Very high	91.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-77.9	-5.7	176.5	-61.6	0	0	0	0	113.1	I105 L106 T110 A111 T120	I105-S108 VanDerWaalsContact O-CB 3.29Å; I105-S108 WeakPolarHBondContact O-CB 3.25Å; I105-S108 PolarHBondContact O-N 3.14Å; L106-S108 PolarHBondContact O-N 3.39Å; L106-S108 VanDerWaalsContact O-N 3.14Å; S108-T110 VanDerWaalsContact C-N 3.34Å; S108-T110 PolarHBondContact O-N 3.05Å; S108-A111 WeakPolarHBondContact O-CB 3.42Å; S108-A111 PolarHBondContact O-N 3.48Å; S108-T120 WeakPolarHBondContact CB-OG1 3.25Å
109	L	90.6	Very high	91.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-65	-37.4	176.1	-174	65	0	0	0	112	L106 P107 A111 R117 T120 V161 L165	L106-L109 WeakPolarHBondContact O-CB 3.25Å; L106-L109 PolarHBondContact O-N 3.07Å; P107-L109 PolarHBondContact O-N 3.32Å; L109-A111 VanDerWaalsContact C-N 3.33Å; L109-R117 WeakPolarHBondContact O-CD 3.5Å; L109-R117 WeakPolarHBondContact O-CG 3.37Å; L109-T120 HydrophobicContact CB-CG2 4.42Å; L109-V161 HydrophobicContact CD1-CG1 3.87Å; L109-L165 HydrophobicContact CD1-CD2 3.96Å; L109-L165 HydrophobicContact CD2-CD2 3.83Å
110	T	90.8	Very high	91.9	Very high	50 Å²	50	32.3 Å²	32.3	31%	0.307	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-95.3	18.2	177.8	60.3	0	0	0	0	112.6	S108 V158	S108-T110 VanDerWaalsContact C-N 3.34Å; S108-T110 PolarHBondContact O-N 3.05Å; T110-V158 HydrophobicContact CG2-CG1 4.07Å
111	A	90.1	Very high	92	Very high	6 Å²	6	29.5 Å²	29.5	5%	0.05	17%	0.174	C	C	.	.			trans	-62.9	141.8	177.6	0	0	0	0	0	111.2	M73 S108 L109 D113 V116 R117	M73-A111 HydrophobicContact CE-CB 3.71Å; S108-A111 WeakPolarHBondContact O-CB 3.42Å; S108-A111 PolarHBondContact O-N 3.48Å; L109-A111 VanDerWaalsContact C-N 3.33Å; A111-D113 PolarHBondContact O-N 3.04Å; A111-V116 HydrophobicContact CB-CB 4.19Å; A111-V116 HydrophobicContact CB-CG1 3.62Å; A111-R117 HydrophobicContact CB-CG 4.21Å; A111-R117 VanDerWaalsContact O-CD 3.24Å; A111-R117 WeakPolarHBondContact O-CD 3.13Å; A111-R117 VanDerWaalsContact O-CG 3.28Å; A111-R117 WeakPolarHBondContact O-CG 3.18Å; A111-R117 PolarHBondContact O-NH1 3.38Å
112	A	86.9	Confident	92	Very high	87 Å²	87	34.6 Å²	34.6	72%	0.719	20%	0.197	S	C	*	.	S	Bend	trans	-61.9	-31.1	178.6	0	0	0	0	0	113.2	M73 R117	M73-A112 HydrophobicContact CE-CB 4.44Å; A112-R117 VanDerWaalsContact C-NH1 3.25Å; A112-R117 PolarHBondContact O-NH1 3.05Å
113	D	91.1	Very high	92	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.15	20%	0.197	C	C	.	.			trans	-80.5	128	-177.5	-177	49.4	0	0	0	112.9	M73 R77 A111 V115 V116 R117	M73-D113 HydrophobicContact CB-CB 4.26Å; M73-D113 HydrophobicContact CE-CB 3.41Å; M73-D113 VanDerWaalsContact CE-CB 3.41Å; M73-D113 HydrophobicContact CG-CB 4.24Å; R77-D113 IonicContact CZ-OD1 3.76Å; R77-D113 IonicContact CZ-OD2 3.2Å; R77-D113 IonicContact NE-OD2 2.73Å; R77-D113 PolarHBondContact NE-OD2 3.35Å; R77-D113 IonicContact NH2-OD1 2.71Å; R77-D113 PolarHBondContact NH2-OD1 2.9Å; R77-D113 IonicContact NH2-OD2 2.89Å; R77-D113 PolarHBondContact NH2-OD2 2.91Å; A111-D113 PolarHBondContact O-N 3.04Å; D113-V115 PolarHBondContact O-N 3.23Å; D113-V116 HydrophobicContact CB-CB 4.13Å; D113-V116 HydrophobicContact CB-CG2 4.04Å; D113-V116 PolarHBondContact O-N 3.39Å; D113-V116 WeakPolarHBondContact OD2-CG2 3.26Å; D113-V116 PolarHBondContact OD2-N 3.11Å; D113-V116 VanDerWaalsContact OD2-N 3.16Å; D113-R117 WeakPolarHBondContact O-CG 3.23Å; D113-R117 PolarHBondContact O-N 2.86Å; D113-R117 VanDerWaalsContact O-N 3.16Å
114	T	90.5	Very high	92.1	Very high	75 Å²	75	29.4 Å²	29.4	46%	0.46	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-42.3	-178.4	52.6	0	0	0	0	112.6	R117 Q118	T114-R117 PolarHBondContact O-N 3Å; T114-Q118 WeakPolarHBondContact O-CG 3.44Å; T114-Q118 PolarHBondContact O-N 3.49Å
115	V	92.3	Very high	92.1	Very high	42 Å²	42	30.3 Å²	30.3	26%	0.255	18%	0.18	S	C	.	.	H	α-helix	trans	-68.4	-41.7	-177.5	-179.7	0	0	0	0	110.9	R77 D113 Q118 L119	R77-V115 HydrophobicContact CG-CG1 4.21Å; D113-V115 PolarHBondContact O-N 3.23Å; V115-Q118 PolarHBondContact O-N 3.05Å; V115-L119 HydrophobicContact CG1-CD1 3.97Å; V115-L119 HydrophobicContact CG1-CG 4.4Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 VanDerWaalsContact O-CG 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.3Å; V115-L119 PolarHBondContact O-N 3.29Å
116	V	93.2	Very high	92.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-48.7	173.3	171.2	0	0	0	0	110.1	M73 R76 R77 L80 A111 D113 Q118 L119 T120	M73-V116 HydrophobicContact CB-CG2 4.44Å; M73-V116 HydrophobicContact CE-CG2 4.48Å; R76-V116 HydrophobicContact CB-CG1 4.44Å; R76-V116 HydrophobicContact CB-CG2 4.1Å; R77-V116 HydrophobicContact CG-CG2 3.61Å; L80-V116 HydrophobicContact CD1-CB 4.42Å; L80-V116 HydrophobicContact CD1-CG1 3.84Å; L80-V116 WeakPolarHBondContact CD1-O 3.39Å; A111-V116 HydrophobicContact CB-CB 4.19Å; A111-V116 HydrophobicContact CB-CG1 3.62Å; D113-V116 HydrophobicContact CB-CB 4.13Å; D113-V116 HydrophobicContact CB-CG2 4.04Å; D113-V116 PolarHBondContact O-N 3.39Å; D113-V116 WeakPolarHBondContact OD2-CG2 3.26Å; D113-V116 PolarHBondContact OD2-N 3.11Å; D113-V116 VanDerWaalsContact OD2-N 3.16Å; V116-Q118 PolarHBondContact O-N 3.24Å; V116-L119 PolarHBondContact O-N 2.88Å; V116-T120 WeakPolarHBondContact O-CB 3.46Å; V116-T120 PolarHBondContact O-N 3.45Å; V116-T120 PolarHBondContact O-OG1 2.97Å
117	R	93.3	Very high	92	Very high	11 Å²	11	32.8 Å²	32.8	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-43.8	179.2	-67.7	-163.8	-58.6	-83	1.4	113.2	L109 A111 A112 D113 T114 T120 S121 V161	L109-R117 WeakPolarHBondContact O-CD 3.5Å; L109-R117 WeakPolarHBondContact O-CG 3.37Å; A111-R117 HydrophobicContact CB-CG 4.21Å; A111-R117 VanDerWaalsContact O-CD 3.24Å; A111-R117 WeakPolarHBondContact O-CD 3.13Å; A111-R117 VanDerWaalsContact O-CG 3.28Å; A111-R117 WeakPolarHBondContact O-CG 3.18Å; A111-R117 PolarHBondContact O-NH1 3.38Å; A112-R117 VanDerWaalsContact C-NH1 3.25Å; A112-R117 PolarHBondContact O-NH1 3.05Å; D113-R117 WeakPolarHBondContact O-CG 3.23Å; D113-R117 PolarHBondContact O-N 2.86Å; D113-R117 VanDerWaalsContact O-N 3.16Å; T114-R117 PolarHBondContact O-N 3Å; R117-T120 WeakPolarHBondContact O-CB 3.43Å; R117-T120 PolarHBondContact O-N 2.85Å; R117-S121 PolarHBondContact O-N 3.44Å; R117-V161 HydrophobicContact CB-CG1 4.3Å; R117-V161 HydrophobicContact CB-CG2 4.45Å
118	Q	91.6	Very high	91.9	Very high	113 Å²	113	30.3 Å²	30.3	53%	0.528	18%	0.176	S	C	.	.	H	α-helix	trans	-62.6	-46.3	177.5	-74.2	176.1	-17.3	0	0	111.8	T114 V115 V116 T120 S121 Q122	T114-Q118 WeakPolarHBondContact O-CG 3.44Å; T114-Q118 PolarHBondContact O-N 3.49Å; V115-Q118 PolarHBondContact O-N 3.05Å; V116-Q118 PolarHBondContact O-N 3.24Å; Q118-T120 VanDerWaalsContact C-N 3.31Å; Q118-T120 PolarHBondContact O-N 3.09Å; Q118-S121 PolarHBondContact O-N 3.01Å; Q118-Q122 WeakPolarHBondContact O-CG 3.48Å; Q118-Q122 PolarHBondContact O-N 3.37Å
119	L	93.7	Very high	91.8	Very high	15 Å²	15	32.5 Å²	32.5	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-36	176.4	-71.3	172.3	0	0	0	111.8	R77 L80 R81 L84 V115 V116 Q122 A123	R77-L119 HydrophobicContact CB-CD1 4.35Å; R77-L119 HydrophobicContact CG-CD1 4.49Å; L80-L119 HydrophobicContact CB-CB 3.82Å; L80-L119 HydrophobicContact CB-CD1 4.26Å; L80-L119 HydrophobicContact CD1-CB 3.66Å; L80-L119 HydrophobicContact CG-CB 4.33Å; R81-L119 HydrophobicContact CG-CD1 4.02Å; R81-L119 HydrophobicContact CG-CD2 4.06Å; L84-L119 HydrophobicContact CD1-CD2 4.07Å; V115-L119 HydrophobicContact CG1-CD1 3.97Å; V115-L119 HydrophobicContact CG1-CG 4.4Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 VanDerWaalsContact O-CG 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.3Å; V115-L119 PolarHBondContact O-N 3.29Å; V116-L119 PolarHBondContact O-N 2.88Å; L119-Q122 PolarHBondContact O-N 3.29Å; L119-A123 WeakPolarHBondContact O-CB 3.27Å; L119-A123 PolarHBondContact O-N 2.95Å
120	T	94.3	Very high	91.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-48.6	173.5	-64.6	0	0	0	0	110.9	L80 I105 S108 L109 V116 R117 Q118 Q122 A123 V124	L80-T120 WeakPolarHBondContact CD1-OG1 3.43Å; I105-T120 HydrophobicContact CG2-CG2 3.78Å; I105-T120 WeakPolarHBondContact O-CG2 3.33Å; S108-T120 WeakPolarHBondContact CB-OG1 3.25Å; L109-T120 HydrophobicContact CB-CG2 4.42Å; V116-T120 WeakPolarHBondContact O-CB 3.46Å; V116-T120 PolarHBondContact O-N 3.45Å; V116-T120 PolarHBondContact O-OG1 2.97Å; R117-T120 WeakPolarHBondContact O-CB 3.43Å; R117-T120 PolarHBondContact O-N 2.85Å; Q118-T120 VanDerWaalsContact C-N 3.31Å; Q118-T120 PolarHBondContact O-N 3.09Å; T120-Q122 VanDerWaalsContact C-N 3.3Å; T120-Q122 PolarHBondContact O-N 3.48Å; T120-A123 PolarHBondContact O-N 3.48Å; T120-A123 VanDerWaalsContact O-N 3.16Å; T120-V124 HydrophobicContact CG2-CG2 4.36Å; T120-V124 WeakPolarHBondContact O-CG2 3.28Å; T120-V124 PolarHBondContact O-N 2.76Å
121	S	92.8	Very high	91.7	Very high	15 Å²	15	33.2 Å²	33.2	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-42	176.7	-179.8	0	0	0	0	111.7	R117 Q118 S125	R117-S121 PolarHBondContact O-N 3.44Å; Q118-S121 PolarHBondContact O-N 3.01Å; S121-S125 WeakPolarHBondContact O-CB 3.35Å; S121-S125 PolarHBondContact O-N 3.27Å; S121-S125 PolarHBondContact O-OG 3.14Å
122	Q	93.2	Very high	91.6	Very high	107 Å²	107	36.6 Å²	36.6	50%	0.5	22%	0.222	S	C	.	.	H	α-helix	trans	-62	-45	173.7	-71.1	173.8	2.9	0	0	112.4	L84 Q118 L119 T120 S125 L126	L84-Q122 HydrophobicContact CD1-CB 4.31Å; L84-Q122 HydrophobicContact CD2-CB 4.37Å; Q118-Q122 WeakPolarHBondContact O-CG 3.48Å; Q118-Q122 PolarHBondContact O-N 3.37Å; L119-Q122 PolarHBondContact O-N 3.29Å; T120-Q122 VanDerWaalsContact C-N 3.3Å; T120-Q122 PolarHBondContact O-N 3.48Å; Q122-S125 PolarHBondContact O-N 3.2Å; Q122-L126 WeakPolarHBondContact O-CB 3.5Å; Q122-L126 PolarHBondContact O-N 2.94Å
123	A	93	Very high	91.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-44.8	-179.9	0	0	0	0	0	112	L84 I105 L119 T120 L126 L127	L84-A123 HydrophobicContact CD2-CB 4.06Å; L84-A123 HydrophobicContact CG-CB 4.28Å; I105-A123 HydrophobicContact CG2-CB 4.34Å; L119-A123 WeakPolarHBondContact O-CB 3.27Å; L119-A123 PolarHBondContact O-N 2.95Å; T120-A123 PolarHBondContact O-N 3.48Å; T120-A123 VanDerWaalsContact O-N 3.16Å; A123-L126 PolarHBondContact O-N 3.24Å; A123-L127 WeakPolarHBondContact O-CB 3.35Å; A123-L127 PolarHBondContact O-N 3.22Å
124	V	93.1	Very high	91.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-43.2	175.9	-175.7	0	0	0	0	110.2	I105 L106 T120 L126 L127 M128 L165	I105-V124 HydrophobicContact CG2-CG2 3.44Å; I105-V124 VanDerWaalsContact CG2-CG2 3.44Å; L106-V124 HydrophobicContact CD2-CG2 4.14Å; T120-V124 HydrophobicContact CG2-CG2 4.36Å; T120-V124 WeakPolarHBondContact O-CG2 3.28Å; T120-V124 PolarHBondContact O-N 2.76Å; V124-L126 VanDerWaalsContact C-N 3.28Å; V124-L126 PolarHBondContact O-N 3.37Å; V124-L127 WeakPolarHBondContact O-CB 3.43Å; V124-L127 PolarHBondContact O-N 2.78Å; V124-L127 VanDerWaalsContact O-N 3.09Å; V124-M128 HydrophobicContact CG1-CE 3.96Å; V124-M128 HydrophobicContact CG1-CG 4.22Å; V124-M128 VanDerWaalsContact O-CG 3.3Å; V124-M128 WeakPolarHBondContact O-CG 3.28Å; V124-M128 PolarHBondContact O-N 2.85Å; V124-L165 HydrophobicContact CB-CD1 3.58Å; V124-L165 HydrophobicContact CG1-CD1 3.51Å; V124-L165 HydrophobicContact CG1-CD2 4.28Å; V124-L165 HydrophobicContact CG1-CG 4.39Å; V124-L165 HydrophobicContact CG2-CD1 4.41Å
125	S	91.7	Very high	91.1	Very high	28 Å²	28	43.9 Å²	43.9	20%	0.196	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-41.6	177.5	-63.6	0	0	0	0	112.1	S121 Q122 G129 C168 K172	S121-S125 WeakPolarHBondContact O-CB 3.35Å; S121-S125 PolarHBondContact O-N 3.27Å; S121-S125 PolarHBondContact O-OG 3.14Å; Q122-S125 PolarHBondContact O-N 3.2Å; S125-G129 PolarHBondContact O-N 3.42Å; S125-C168 VanDerWaalsContact CB-SG 3.51Å; S125-C168 PolarHBondContact OG-SG 3.2Å; S125-C168 VanDerWaalsContact OG-SG 3.34Å; S125-K172 PolarHBondContact O-NZ 3.3Å
126	L	92.1	Very high	91	Very high	52 Å²	52	41.9 Å²	41.9	27%	0.272	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-47.8	174.1	-173.3	151.8	0	0	0	110.5	L84 L87 Q122 A123 V124 M128 G129 L130	L84-L126 HydrophobicContact CD2-CB 4.43Å; L84-L126 HydrophobicContact CD2-CD1 4.11Å; L87-L126 HydrophobicContact CB-CD2 3.46Å; L87-L126 VanDerWaalsContact CB-CD2 3.46Å; L87-L126 HydrophobicContact CD1-CD2 3.91Å; L87-L126 HydrophobicContact CG-CD2 4.28Å; Q122-L126 WeakPolarHBondContact O-CB 3.5Å; Q122-L126 PolarHBondContact O-N 2.94Å; A123-L126 PolarHBondContact O-N 3.24Å; V124-L126 VanDerWaalsContact C-N 3.28Å; V124-L126 PolarHBondContact O-N 3.37Å; L126-M128 VanDerWaalsContact C-N 3.32Å; L126-M128 PolarHBondContact O-N 2.74Å; L126-G129 WeakPolarHBondContact O-CA 3.33Å; L126-G129 PolarHBondContact O-N 3.43Å; L126-L130 HydrophobicContact CD2-CD1 3.53Å; L126-L130 HydrophobicContact CD2-CG 4.05Å; L126-L130 PolarHBondContact O-N 2.86Å
127	L	92.2	Very high	90.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-41.9	177.9	-172.4	65.3	0	0	0	112.6	L98 L101 L102 A123 V124 G129 L130 V131	L98-L127 HydrophobicContact CD1-CD1 4.19Å; L98-L127 HydrophobicContact CD1-CD2 3.97Å; L98-L127 HydrophobicContact CD1-CG 4.17Å; L101-L127 HydrophobicContact CB-CD2 4.26Å; L101-L127 HydrophobicContact CD1-CD1 3.92Å; L102-L127 HydrophobicContact CD2-CD2 3.7Å; L102-L127 HydrophobicContact CG-CD2 4.22Å; A123-L127 WeakPolarHBondContact O-CB 3.35Å; A123-L127 PolarHBondContact O-N 3.22Å; V124-L127 WeakPolarHBondContact O-CB 3.43Å; V124-L127 PolarHBondContact O-N 2.78Å; V124-L127 VanDerWaalsContact O-N 3.09Å; L127-G129 PolarHBondContact O-N 2.85Å; L127-L130 PolarHBondContact O-N 2.96Å; L127-V131 HydrophobicContact CD1-CG2 4.05Å; L127-V131 HydrophobicContact CG-CG2 4.31Å; L127-V131 WeakPolarHBondContact O-CG2 3.13Å; L127-V131 PolarHBondContact O-N 3.45Å
128	M	91.7	Very high	90.4	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-22.3	174.5	-61.9	-53.5	95.7	0	0	112.4	L102 V124 L126 L136 I169 K172 H173	L102-M128 HydrophobicContact CD2-CE 4.3Å; V124-M128 HydrophobicContact CG1-CE 3.96Å; V124-M128 HydrophobicContact CG1-CG 4.22Å; V124-M128 VanDerWaalsContact O-CG 3.3Å; V124-M128 WeakPolarHBondContact O-CG 3.28Å; V124-M128 PolarHBondContact O-N 2.85Å; L126-M128 VanDerWaalsContact C-N 3.32Å; L126-M128 PolarHBondContact O-N 2.74Å; M128-L136 HydrophobicContact CE-CD1 4.01Å; M128-L136 HydrophobicContact CE-CD2 4.21Å; M128-L136 HydrophobicContact SD-CD1 4.35Å; M128-L136 HydrophobicContact SD-CD2 3.48Å; M128-L136 WeakPolarHBondContact SD-CD2 3.23Å; M128-I169 HydrophobicContact CG-CG1 3.87Å; M128-I169 HydrophobicContact SD-CG1 3.92Å; M128-K172 HydrophobicContact CB-CD 3.71Å; M128-K172 WeakPolarHBondContact O-CD 3.4Å; M128-H173 PolarHBondContact O-NE2 2.89Å
129	G	89.1	Confident	90.4	Very high	49 Å²	49	45.6 Å²	45.6	51%	0.505	25%	0.249	S	C	.	.	H	α-helix	trans	-80.7	-22	173.6	0	0	0	0	0	114.2	S125 L126 L127 K172	S125-G129 PolarHBondContact O-N 3.42Å; L126-G129 WeakPolarHBondContact O-CA 3.33Å; L126-G129 PolarHBondContact O-N 3.43Å; L127-G129 PolarHBondContact O-N 2.85Å; G129-K172 VanDerWaalsContact CA-NZ 3.27Å; G129-K172 VanDerWaalsContact N-NZ 3.19Å
130	L	89.3	Confident	90.2	Very high	58 Å²	58	44.9 Å²	44.9	30%	0.304	25%	0.245	S	C	.	.	H	α-helix	trans	-94.8	-19	-175.4	-62.1	-175.3	0	0	0	113.3	L87 L126 L127	L87-L130 HydrophobicContact CB-CD1 4.33Å; L87-L130 HydrophobicContact CD2-CD1 4.46Å; L126-L130 HydrophobicContact CD2-CD1 3.53Å; L126-L130 HydrophobicContact CD2-CG 4.05Å; L126-L130 PolarHBondContact O-N 2.86Å; L127-L130 PolarHBondContact O-N 2.96Å
131	V	89.9	Confident	89.8	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.048	27%	0.274	C	S	.	.	S	Bend	trans	-107.7	140.9	-170.5	179.9	0	0	0	0	110	L98 L127 Q135 L136 H173	L98-V131 HydrophobicContact CD1-CG1 4.46Å; L98-V131 HydrophobicContact CD1-CG2 3.88Å; L98-V131 HydrophobicContact CD2-CG1 3.73Å; L98-V131 HydrophobicContact CD2-CG2 4.44Å; L127-V131 HydrophobicContact CD1-CG2 4.05Å; L127-V131 HydrophobicContact CG-CG2 4.31Å; L127-V131 WeakPolarHBondContact O-CG2 3.13Å; L127-V131 PolarHBondContact O-N 3.45Å; V131-Q135 HydrophobicContact CG1-CB 3.75Å; V131-L136 HydrophobicContact CG1-CB 4.07Å; V131-L136 HydrophobicContact CG1-CD1 4.43Å; V131-H173 PolarHBondContact O-CE1 2.86Å
132	T	88.9	Confident	89.6	Confident	77 Å²	77	51.4 Å²	51.4	47%	0.472	28%	0.284	S	S	.	.			trans	-79.1	150.4	174.9	62.4	0	0	0	0	111.5	R134 Q135 L136	T132-R134 PolarHBondContact O-N 3.23Å; T132-Q135 PolarHBondContact O-N 2.78Å; T132-Q135 WeakPolarHBondContact OG1-CG 3.21Å; T132-Q135 PolarHBondContact OG1-N 3.43Å; T132-Q135 PolarHBondContact OG1-OE1 3.07Å; T132-L136 PolarHBondContact O-N 3.08Å; T132-L136 VanDerWaalsContact O-N 3.07Å
133	S	85.4	Confident	89.5	Confident	37 Å²	37	46.3 Å²	46.3	26%	0.259	26%	0.26	S	S	.	.	H	α-helix	trans	-54.3	-31.7	176.6	-53.5	0	0	0	0	113	S137 H173	S133-S137 PolarHBondContact O-N 2.78Å; S133-S137 VanDerWaalsContact O-N 3.13Å; S133-H173 PolarHBondContact OG-ND1 3.49Å
134	R	86.4	Confident	89.3	Confident	219 Å²	219	46.3 Å²	46.3	83%	0.826	26%	0.26	S	S	*	.	H	α-helix	trans	-65.8	-45.9	177.8	-171.9	-178.9	-69.5	-175.9	-0.9	111.9	T132 S137	T132-R134 PolarHBondContact O-N 3.23Å; R134-S137 PolarHBondContact O-OG 3.24Å
135	Q	86.8	Confident	89.1	Confident	87 Å²	87	47.9 Å²	47.9	41%	0.407	28%	0.276	S	S	.	.	H	α-helix	trans	-69.1	-35	178	-71.6	166.8	-40.7	0	0	112.2	L98 V131 T132 S137	L98-Q135 HydrophobicContact CD2-CB 4.44Å; V131-Q135 HydrophobicContact CG1-CB 3.75Å; T132-Q135 PolarHBondContact O-N 2.78Å; T132-Q135 WeakPolarHBondContact OG1-CG 3.21Å; T132-Q135 PolarHBondContact OG1-N 3.43Å; T132-Q135 PolarHBondContact OG1-OE1 3.07Å; Q135-S137 VanDerWaalsContact C-N 3.31Å
136	L	89.9	Confident	89	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-75.2	-22.3	-178.3	-163.4	61.5	0	0	0	112.9	L98 L102 M128 V131 T132 S138 Y139 F140 I143 H173	L98-L136 HydrophobicContact CD1-CD1 4.42Å; L98-L136 HydrophobicContact CD2-CD1 4.35Å; L102-L136 HydrophobicContact CD1-CD1 4.3Å; M128-L136 HydrophobicContact CE-CD1 4.01Å; M128-L136 HydrophobicContact CE-CD2 4.21Å; M128-L136 HydrophobicContact SD-CD1 4.35Å; M128-L136 HydrophobicContact SD-CD2 3.48Å; M128-L136 WeakPolarHBondContact SD-CD2 3.23Å; V131-L136 HydrophobicContact CG1-CB 4.07Å; V131-L136 HydrophobicContact CG1-CD1 4.43Å; T132-L136 PolarHBondContact O-N 3.08Å; T132-L136 VanDerWaalsContact O-N 3.07Å; L136-S138 VanDerWaalsContact C-N 3.32Å; L136-S138 PolarHBondContact O-N 3.43Å; L136-Y139 PolarHBondContact O-N 3.37Å; L136-F140 HydrophobicContact CB-CD1 4.46Å; L136-F140 HydrophobicContact CB-CE1 3.82Å; L136-F140 HydrophobicContact CB-CZ 4.42Å; L136-F140 HydrophobicContact CD2-CD1 4.34Å; L136-F140 HydrophobicContact CD2-CE1 3.66Å; L136-F140 HydrophobicContact CG-CD1 3.9Å; L136-F140 HydrophobicContact CG-CE1 3.51Å; L136-F140 WeakPolarHBondContact O-CD1 3.24Å; L136-F140 PolarHBondContact O-N 3.07Å; L136-I143 HydrophobicContact CD1-CD1 3.65Å; L136-I143 HydrophobicContact CD2-CD1 4.45Å; L136-I143 HydrophobicContact CG-CD1 4.07Å; L136-H173 WeakPolarHBondContact CD2-CD2 3.35Å
137	S	86.2	Confident	88.9	Confident	57 Å²	57	46.5 Å²	46.5	40%	0.399	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-54.3	-40.5	-170.9	65.7	0	0	0	0	114.9	S133 R134 Q135 Y139 F140	S133-S137 PolarHBondContact O-N 2.78Å; S133-S137 VanDerWaalsContact O-N 3.13Å; R134-S137 PolarHBondContact O-OG 3.24Å; Q135-S137 VanDerWaalsContact C-N 3.31Å; S137-Y139 PolarHBondContact O-N 2.78Å; S137-F140 VanDerWaalsContact CA-CD2 3.5Å; S137-F140 WeakPolarHBondContact O-CD2 3.45Å; S137-F140 WeakPolarHBondContact O-CG 3.48Å; S137-F140 PolarHBondContact O-N 3.39Å
138	S	87.7	Confident	88.6	Confident	88 Å²	88	47 Å²	47	62%	0.615	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-68.5	-20.4	178.5	55.2	0	0	0	0	113.7	L136	L136-S138 VanDerWaalsContact C-N 3.32Å; L136-S138 PolarHBondContact O-N 3.43Å
139	Y	90	Very high	88.5	Confident	57 Å²	57	50.5 Å²	50.5	22%	0.224	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-100	-3.6	-178.5	-56.3	-82.4	0	0	0	113.3	L98 S99 L102 L136 S137 P141 L142 I143	L98-Y139 HydrophobicContact CB-CE2 4.49Å; L98-Y139 HydrophobicContact CD2-CD2 3.75Å; L98-Y139 HydrophobicContact CD2-CE2 3.63Å; L98-Y139 HydrophobicContact CG-CD2 4.12Å; L98-Y139 HydrophobicContact CG-CE2 3.94Å; S99-Y139 WeakPolarHBondContact CB-OH 3.33Å; S99-Y139 WeakPolarHBondContact OG-CE1 3.46Å; L102-Y139 HydrophobicContact CD1-CD1 3.92Å; L102-Y139 HydrophobicContact CD1-CD2 4.18Å; L102-Y139 HydrophobicContact CD1-CG 3.61Å; L136-Y139 PolarHBondContact O-N 3.37Å; S137-Y139 PolarHBondContact O-N 2.78Å; Y139-P141 VanDerWaalsContact C-CD 3.48Å; Y139-L142 WeakPolarHBondContact O-CB 3.17Å; Y139-L142 PolarHBondContact O-N 3.47Å; Y139-L142 VanDerWaalsContact O-N 3.07Å; Y139-I143 WeakPolarHBondContact O-CG1 3.49Å; Y139-I143 PolarHBondContact O-N 3.46Å
140	F	89.4	Confident	88.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-53.9	-43.1	179.3	-68.1	-24.9	0	0	0	113.9	L136 S137 L142 I143 A144 I175 F176 S179	L136-F140 HydrophobicContact CB-CD1 4.46Å; L136-F140 HydrophobicContact CB-CE1 3.82Å; L136-F140 HydrophobicContact CB-CZ 4.42Å; L136-F140 HydrophobicContact CD2-CD1 4.34Å; L136-F140 HydrophobicContact CD2-CE1 3.66Å; L136-F140 HydrophobicContact CG-CD1 3.9Å; L136-F140 HydrophobicContact CG-CE1 3.51Å; L136-F140 WeakPolarHBondContact O-CD1 3.24Å; L136-F140 PolarHBondContact O-N 3.07Å; S137-F140 VanDerWaalsContact CA-CD2 3.5Å; S137-F140 WeakPolarHBondContact O-CD2 3.45Å; S137-F140 WeakPolarHBondContact O-CG 3.48Å; S137-F140 PolarHBondContact O-N 3.39Å; F140-L142 VanDerWaalsContact C-N 3.29Å; F140-L142 PolarHBondContact O-N 2.88Å; F140-I143 PolarHBondContact O-N 2.94Å; F140-A144 VanDerWaalsContact O-CB 3.24Å; F140-A144 WeakPolarHBondContact O-CB 3.4Å; F140-A144 PolarHBondContact O-N 3.07Å; F140-I175 HydrophobicContact CE2-CG2 4.32Å; F140-F176 HydrophobicContact CB-CD2 3.97Å; F140-F176 HydrophobicContact CB-CE2 4.17Å; F140-F176 AromaticContact CD1-CD2 3.5Å; F140-F176 HydrophobicContact CD1-CD2 3.5Å; F140-F176 HydrophobicContact CD1-CE2 4.24Å; F140-F176 HydrophobicContact CD1-CG 4.49Å; F140-F176 HydrophobicContact CE1-CB 4.23Å; F140-F176 HydrophobicContact CE1-CD2 4Å; F140-F176 AromaticContact CG-CD2 3.81Å; F140-F176 HydrophobicContact CG-CD2 3.81Å; F140-F176 HydrophobicContact CG-CE2 4.46Å; F140-F176 HydrophobicContact CZ-CB 4.35Å; F140-S179 WeakPolarHBondContact CD2-OG 3.39Å
141	P	86.5	Confident	88.2	Confident	92 Å²	92	45.4 Å²	45.4	60%	0.597	25%	0.254	S	S	*	.	H	α-helix	trans	-61.9	-36.5	176.9	-23.4	35.2	0	0	0	113.2	Y139 G145	Y139-P141 VanDerWaalsContact C-CD 3.48Å; P141-G145 PolarHBondContact O-N 2.88Å
142	L	89.5	Confident	87.9	Confident	61 Å²	61	48.6 Å²	48.6	32%	0.319	27%	0.273	S	S	.	.	H	α-helix	trans	-68.4	-46.9	178.7	-178.3	152.2	0	0	0	110.8	L102 L106 Y139 F140 G145 H146	L102-L142 HydrophobicContact CB-CD2 4.27Å; L106-L142 HydrophobicContact CD1-CD2 3.24Å; Y139-L142 WeakPolarHBondContact O-CB 3.17Å; Y139-L142 PolarHBondContact O-N 3.47Å; Y139-L142 VanDerWaalsContact O-N 3.07Å; F140-L142 VanDerWaalsContact C-N 3.29Å; F140-L142 PolarHBondContact O-N 2.88Å; L142-G145 PolarHBondContact O-N 3.34Å; L142-H146 PolarHBondContact O-CD2 3.19Å; L142-H146 PolarHBondContact O-N 3.44Å
143	I	91.1	Very high	87.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-46.7	176.3	-66.1	165.6	0	0	0	110.3	L102 L106 L136 Y139 F140 G145 H146 I147 I169 F176	L102-I143 HydrophobicContact CD1-CD1 4.26Å; L102-I143 HydrophobicContact CD1-CG1 4.49Å; L102-I143 HydrophobicContact CD2-CD1 4.3Å; L102-I143 HydrophobicContact CD2-CG1 4.31Å; L106-I143 HydrophobicContact CD1-CG1 3.98Å; L136-I143 HydrophobicContact CD1-CD1 3.65Å; L136-I143 HydrophobicContact CD2-CD1 4.45Å; L136-I143 HydrophobicContact CG-CD1 4.07Å; Y139-I143 WeakPolarHBondContact O-CG1 3.49Å; Y139-I143 PolarHBondContact O-N 3.46Å; F140-I143 PolarHBondContact O-N 2.94Å; I143-G145 VanDerWaalsContact C-N 3.34Å; I143-G145 PolarHBondContact O-N 2.96Å; I143-H146 PolarHBondContact O-N 3.41Å; I143-I147 HydrophobicContact CG2-CD1 3.68Å; I143-I147 HydrophobicContact CG2-CG1 4.37Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 2.95Å; I143-I169 HydrophobicContact CG2-CD1 3.65Å; I143-F176 HydrophobicContact CB-CE2 4.05Å; I143-F176 HydrophobicContact CG2-CE2 3.83Å; I143-F176 HydrophobicContact CG2-CZ 4.05Å
144	A	87.8	Confident	87.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.2	-45.6	176.8	0	0	0	0	0	112.3	F140 H146 I147 C148 F176 V184	F140-A144 VanDerWaalsContact O-CB 3.24Å; F140-A144 WeakPolarHBondContact O-CB 3.4Å; F140-A144 PolarHBondContact O-N 3.07Å; A144-H146 PolarHBondContact O-N 3.35Å; A144-I147 PolarHBondContact O-N 3.29Å; A144-C148 WeakPolarHBondContact O-CB 3.1Å; A144-C148 PolarHBondContact O-N 3.37Å; A144-C148 PolarHBondContact O-SG 2.95Å; A144-F176 HydrophobicContact CB-CE2 4.31Å; A144-F176 HydrophobicContact CB-CZ 3.95Å; A144-V184 HydrophobicContact CB-CG1 3.92Å; A144-V184 HydrophobicContact CB-CG2 4.23Å
145	G	88.9	Confident	87.6	Confident	33 Å²	33	46.2 Å²	46.2	34%	0.34	27%	0.268	S	S	.	.	H	α-helix	trans	-57.5	-47.1	177.5	0	0	0	0	0	112.8	P141 L142 I143 C148 C149	P141-G145 PolarHBondContact O-N 2.88Å; L142-G145 PolarHBondContact O-N 3.34Å; I143-G145 VanDerWaalsContact C-N 3.34Å; I143-G145 PolarHBondContact O-N 2.96Å; G145-C148 PolarHBondContact O-N 3.12Å; G145-C149 PolarHBondContact O-N 2.99Å; G145-C149 PolarHBondContact O-SG 3.5Å
146	H	90.6	Very high	87.4	Confident	52 Å²	52	43.5 Å²	43.5	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-39.6	178.3	-79.4	-72.6	0	0	0	113.3	L106 L142 I143 A144 G150	L106-H146 HydrophobicContact CB-CB 4.05Å; L142-H146 PolarHBondContact O-CD2 3.19Å; L142-H146 PolarHBondContact O-N 3.44Å; I143-H146 PolarHBondContact O-N 3.41Å; A144-H146 PolarHBondContact O-N 3.35Å; H146-G150 PolarHBondContact O-N 2.87Å; H146-G150 VanDerWaalsContact O-N 3.09Å
147	I	89.1	Confident	87.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-47.9	174.7	-66.4	170.4	0	0	0	109.6	I143 A144 C149 G150 I151 L165 L166 I169 F176 F188	I143-I147 HydrophobicContact CG2-CD1 3.68Å; I143-I147 HydrophobicContact CG2-CG1 4.37Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 2.95Å; A144-I147 PolarHBondContact O-N 3.29Å; I147-C149 VanDerWaalsContact C-N 3.34Å; I147-C149 PolarHBondContact O-N 3.14Å; I147-G150 CarbonylContact O-C 3.54Å; I147-G150 WeakPolarHBondContact O-CA 3.31Å; I147-G150 PolarHBondContact O-N 3.48Å; I147-I151 HydrophobicContact CG2-CD1 3.75Å; I147-I151 HydrophobicContact CG2-CG1 3.88Å; I147-I151 VanDerWaalsContact O-CG1 3.31Å; I147-I151 WeakPolarHBondContact O-CG1 3.36Å; I147-I151 PolarHBondContact O-N 3.36Å; I147-L165 HydrophobicContact CG1-CD2 4.34Å; I147-L166 HydrophobicContact CD1-CD1 4.4Å; I147-L166 HydrophobicContact CG2-CB 4.24Å; I147-I169 HydrophobicContact CD1-CD1 3.5Å; I147-F176 HydrophobicContact CD1-CE1 4.37Å; I147-F176 HydrophobicContact CD1-CZ 4.07Å; I147-F188 HydrophobicContact CB-CZ 4.35Å; I147-F188 HydrophobicContact CG2-CE1 3.88Å; I147-F188 HydrophobicContact CG2-CZ 3.67Å
148	C	86.6	Confident	87.3	Confident	11 Å²	11	43.6 Å²	43.6	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-53.9	-50.9	177.9	-69.5	0	0	0	0	111.2	A144 G145 G150 I151 T152 L187	A144-C148 WeakPolarHBondContact O-CB 3.1Å; A144-C148 PolarHBondContact O-N 3.37Å; A144-C148 PolarHBondContact O-SG 2.95Å; G145-C148 PolarHBondContact O-N 3.12Å; C148-G150 PolarHBondContact O-N 3.49Å; C148-I151 PolarHBondContact O-N 3.21Å; C148-T152 WeakPolarHBondContact O-CG2 3.4Å; C148-T152 PolarHBondContact O-N 3.18Å; C148-T152 PolarHBondContact O-OG1 2.82Å; C148-L187 HydrophobicContact CB-CD2 3.76Å
149	C	88.6	Confident	87.2	Confident	74 Å²	74	41 Å²	41	50%	0.5	23%	0.234	S	C	.	.	H	α-helix	trans	-55.3	-36.1	175.3	-69.2	0	0	0	0	112.9	G145 I147 H153	G145-C149 PolarHBondContact O-N 2.99Å; G145-C149 PolarHBondContact O-SG 3.5Å; I147-C149 VanDerWaalsContact C-N 3.34Å; I147-C149 PolarHBondContact O-N 3.14Å; C149-H153 PolarHBondContact O-N 3.41Å
150	G	88.6	Confident	86.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-74.8	-42.9	179	0	0	0	0	0	114.3	H146 I147 C148 H153 K159 S162	H146-G150 PolarHBondContact O-N 2.87Å; H146-G150 VanDerWaalsContact O-N 3.09Å; I147-G150 CarbonylContact O-C 3.54Å; I147-G150 WeakPolarHBondContact O-CA 3.31Å; I147-G150 PolarHBondContact O-N 3.48Å; C148-G150 PolarHBondContact O-N 3.49Å; G150-H153 WeakPolarHBondContact O-CB 3.42Å; G150-H153 PolarHBondContact O-N 2.64Å; G150-K159 WeakPolarHBondContact O-CA 3.48Å; G150-S162 WeakPolarHBondContact CA-OG 3.13Å
151	I	83.2	Confident	86.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-74.7	-30.8	-179.9	-40.9	-162.8	0	0	0	111.4	I147 C148 H153 K159 L166 F188 L191 Y192 L208	I147-I151 HydrophobicContact CG2-CD1 3.75Å; I147-I151 HydrophobicContact CG2-CG1 3.88Å; I147-I151 VanDerWaalsContact O-CG1 3.31Å; I147-I151 WeakPolarHBondContact O-CG1 3.36Å; I147-I151 PolarHBondContact O-N 3.36Å; C148-I151 PolarHBondContact O-N 3.21Å; I151-H153 VanDerWaalsContact C-N 3.26Å; I151-H153 PolarHBondContact O-N 3.13Å; I151-K159 WeakPolarHBondContact O-CG 3.47Å; I151-L166 HydrophobicContact CD1-CD2 4.12Å; I151-F188 HydrophobicContact CD1-CD1 4.02Å; I151-F188 HydrophobicContact CD1-CE1 3.5Å; I151-F188 HydrophobicContact CG1-CE1 4.17Å; I151-L191 HydrophobicContact CB-CD2 3.44Å; I151-L191 VanDerWaalsContact CB-CD2 3.44Å; I151-L191 HydrophobicContact CG2-CD2 3.17Å; I151-L191 HydrophobicContact CG2-CG 4Å; I151-Y192 HydrophobicContact CD1-CE2 4.27Å; I151-Y192 WeakPolarHBondContact CD1-OH 3.4Å; I151-L208 HydrophobicContact CG2-CD1 4.2Å
152	T	83.6	Confident	87	Confident	75 Å²	75	34.9 Å²	34.9	46%	0.46	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	4.2	173.4	65.2	0	0	0	0	113.6	C148 L187 L191	C148-T152 WeakPolarHBondContact O-CG2 3.4Å; C148-T152 PolarHBondContact O-N 3.18Å; C148-T152 PolarHBondContact O-OG1 2.82Å; T152-L187 HydrophobicContact CG2-CD1 4.31Å; T152-L187 HydrophobicContact CG2-CD2 4.22Å; T152-L187 HydrophobicContact CG2-CG 4.48Å; T152-L191 HydrophobicContact CG2-CD1 4.46Å; T152-L191 HydrophobicContact CG2-CD2 4.03Å
153	H	86.2	Confident	86.7	Confident	48 Å²	48	32.1 Å²	32.1	22%	0.222	19%	0.187	C	C	.	.			trans	-66.9	147.9	-176.2	-167.4	-91.5	0	0	0	112.1	C149 G150 I151 D155 V158 K159	C149-H153 PolarHBondContact O-N 3.41Å; G150-H153 WeakPolarHBondContact O-CB 3.42Å; G150-H153 PolarHBondContact O-N 2.64Å; I151-H153 VanDerWaalsContact C-N 3.26Å; I151-H153 PolarHBondContact O-N 3.13Å; H153-D155 IonicContact CE1-OD2 3.96Å; H153-D155 PolarHBondContact CE1-OD2 2.8Å; H153-D155 WeakPolarHBondContact ND1-CB 3.26Å; H153-D155 PolarHBondContact ND1-N 2.64Å; H153-D155 IonicContact ND1-OD2 2.89Å; H153-D155 PolarHBondContact O-N 3.28Å; H153-V158 HydrophobicContact CB-CB 4Å; H153-V158 HydrophobicContact CB-CG1 3.73Å; H153-K159 WeakPolarHBondContact O-CE 3.46Å; H153-K159 WeakPolarHBondContact O-CG 3.27Å
154	I	83.8	Confident	86.4	Confident	151 Å²	151	35.2 Å²	35.2	77%	0.774	20%	0.201	S	C	*	.	S	Bend	trans	-63.7	-39.8	179.9	-168.5	165.8	0	0	0	112.7	V156	I154-V156 PolarHBondContact O-N 2.57Å
155	D	85.2	Confident	86.4	Confident	84 Å²	84	35.2 Å²	35.2	45%	0.449	20%	0.201	S	C	.	.	S	Bend	trans	-76.7	119.1	179.9	-62.4	-25.1	0	0	0	112.4	H153 V158 K159	H153-D155 IonicContact CE1-OD2 3.96Å; H153-D155 PolarHBondContact CE1-OD2 2.8Å; H153-D155 WeakPolarHBondContact ND1-CB 3.26Å; H153-D155 PolarHBondContact ND1-N 2.64Å; H153-D155 IonicContact ND1-OD2 2.89Å; H153-D155 PolarHBondContact O-N 3.28Å; D155-V158 HydrophobicContact CB-CB 4.4Å; D155-V158 HydrophobicContact CB-CG2 3.87Å; D155-V158 WeakPolarHBondContact O-CB 3.33Å; D155-V158 PolarHBondContact O-N 3.39Å; D155-K159 PolarHBondContact O-N 2.94Å
156	V	83.1	Confident	86.3	Confident	30 Å²	30	33.6 Å²	33.6	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-49.5	-48	175.8	162.5	0	0	0	0	113.6	I154 V158 K159 V160 L214	I154-V156 PolarHBondContact O-N 2.57Å; V156-V158 PolarHBondContact O-N 3.35Å; V156-V158 VanDerWaalsContact O-N 3.13Å; V156-K159 WeakPolarHBondContact O-CB 3.42Å; V156-K159 PolarHBondContact O-N 2.86Å; V156-V160 HydrophobicContact CG1-CG2 4.29Å; V156-V160 WeakPolarHBondContact O-CG2 3.32Å; V156-V160 PolarHBondContact O-N 3.26Å; V156-L214 HydrophobicContact CB-CD2 3.88Å; V156-L214 HydrophobicContact CG1-CD2 3.09Å; V156-L214 HydrophobicContact CG2-CD2 3.47Å; V156-L214 VanDerWaalsContact CG2-CD2 3.47Å
157	P	84.8	Confident	86	Confident	58 Å²	58	31.7 Å²	31.7	38%	0.377	18%	0.176	S	C	.	.	H	α-helix	trans	-63.6	-21.3	-179.3	-26.2	37.3	0	0	0	114	V161	P157-V161 VanDerWaalsContact O-CG2 3.31Å; P157-V161 WeakPolarHBondContact O-CG2 3.06Å; P157-V161 PolarHBondContact O-N 2.72Å
158	V	88.8	Confident	85.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-77.5	-42.1	173.8	-179.3	0	0	0	0	109.8	T110 H153 D155 V156 V160 V161 S162	T110-V158 HydrophobicContact CG2-CG1 4.07Å; H153-V158 HydrophobicContact CB-CB 4Å; H153-V158 HydrophobicContact CB-CG1 3.73Å; D155-V158 HydrophobicContact CB-CB 4.4Å; D155-V158 HydrophobicContact CB-CG2 3.87Å; D155-V158 WeakPolarHBondContact O-CB 3.33Å; D155-V158 PolarHBondContact O-N 3.39Å; V156-V158 PolarHBondContact O-N 3.35Å; V156-V158 VanDerWaalsContact O-N 3.13Å; V158-V160 PolarHBondContact O-N 3.14Å; V158-V161 PolarHBondContact O-N 3.48Å; V158-S162 WeakPolarHBondContact O-CB 3.23Å; V158-S162 PolarHBondContact O-N 3.34Å; V158-S162 PolarHBondContact O-OG 2.97Å
159	K	85.8	Confident	85.9	Confident	33 Å²	33	32 Å²	32	14%	0.143	18%	0.178	C	C	.	.	H	α-helix	trans	-56.7	-48.6	174.7	-55.6	-172.1	-179	-179.2	0	111.6	G150 I151 H153 D155 V156 S162 A163 L208	G150-K159 WeakPolarHBondContact O-CA 3.48Å; I151-K159 WeakPolarHBondContact O-CG 3.47Å; H153-K159 WeakPolarHBondContact O-CE 3.46Å; H153-K159 WeakPolarHBondContact O-CG 3.27Å; D155-K159 PolarHBondContact O-N 2.94Å; V156-K159 WeakPolarHBondContact O-CB 3.42Å; V156-K159 PolarHBondContact O-N 2.86Å; K159-S162 PolarHBondContact O-N 3.12Å; K159-A163 WeakPolarHBondContact O-CB 3.45Å; K159-A163 PolarHBondContact O-N 3.32Å; K159-L208 HydrophobicContact CD-CD2 3.66Å
160	V	83.5	Confident	85.6	Confident	7 Å²	7	28.7 Å²	28.7	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-48.6	-178.2	175.2	0	0	0	0	111.3	V156 V158 S162 A163 E164 E218 R221 I222	V156-V160 HydrophobicContact CG1-CG2 4.29Å; V156-V160 WeakPolarHBondContact O-CG2 3.32Å; V156-V160 PolarHBondContact O-N 3.26Å; V158-V160 PolarHBondContact O-N 3.14Å; V160-S162 VanDerWaalsContact C-N 3.28Å; V160-S162 PolarHBondContact O-N 2.98Å; V160-A163 PolarHBondContact O-N 2.96Å; V160-E164 HydrophobicContact CG1-CG 4.47Å; V160-E164 WeakPolarHBondContact O-CG 2.99Å; V160-E164 PolarHBondContact O-N 3.34Å; V160-E218 HydrophobicContact CG2-CB 4.12Å; V160-E218 HydrophobicContact CG2-CG 4.1Å; V160-R221 HydrophobicContact CG1-CB 4.44Å; V160-I222 HydrophobicContact CG2-CD1 4.4Å; V160-I222 HydrophobicContact CG2-CG1 4.5Å
161	V	88	Confident	85.3	Confident	13 Å²	13	35.6 Å²	35.6	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-35.6	179.1	175.9	0	0	0	0	111.5	L109 R117 P157 V158 E164 L165	L109-V161 HydrophobicContact CD1-CG1 3.87Å; R117-V161 HydrophobicContact CB-CG1 4.3Å; R117-V161 HydrophobicContact CB-CG2 4.45Å; P157-V161 VanDerWaalsContact O-CG2 3.31Å; P157-V161 WeakPolarHBondContact O-CG2 3.06Å; P157-V161 PolarHBondContact O-N 2.72Å; V158-V161 PolarHBondContact O-N 3.48Å; V161-E164 PolarHBondContact O-N 2.89Å; V161-L165 WeakPolarHBondContact O-CB 3.38Å; V161-L165 PolarHBondContact O-N 3.46Å
162	S	89.4	Confident	85.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.5	-37.2	178.7	-54.1	0	0	0	0	112.1	G150 V158 K159 V160 L165 L166	G150-S162 WeakPolarHBondContact CA-OG 3.13Å; V158-S162 WeakPolarHBondContact O-CB 3.23Å; V158-S162 PolarHBondContact O-N 3.34Å; V158-S162 PolarHBondContact O-OG 2.97Å; K159-S162 PolarHBondContact O-N 3.12Å; V160-S162 VanDerWaalsContact C-N 3.28Å; V160-S162 PolarHBondContact O-N 2.98Å; S162-L165 PolarHBondContact O-N 2.92Å; S162-L166 PolarHBondContact O-N 3.49Å
163	A	84.5	Confident	85.5	Confident	3 Å²	3	36.3 Å²	36.3	3%	0.025	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-42.6	171.4	0	0	0	0	0	111.9	K159 V160 L165 L166 D167 S225	K159-A163 WeakPolarHBondContact O-CB 3.45Å; K159-A163 PolarHBondContact O-N 3.32Å; V160-A163 PolarHBondContact O-N 2.96Å; A163-L165 VanDerWaalsContact C-N 3.25Å; A163-L165 PolarHBondContact O-N 3.02Å; A163-L166 WeakPolarHBondContact O-CB 3.2Å; A163-L166 PolarHBondContact O-N 3.39Å; A163-D167 PolarHBondContact O-N 3.23Å; A163-S225 PolarHBondContact O-OG 2.9Å
164	E	84.6	Confident	85.1	Confident	65 Å²	65	35.3 Å²	35.3	30%	0.304	18%	0.183	S	C	.	.	H	α-helix	trans	-60.9	-35.7	173.7	-74	173.9	-179.8	0	0	111.9	V160 V161 D167 C168 R221	V160-E164 HydrophobicContact CG1-CG 4.47Å; V160-E164 WeakPolarHBondContact O-CG 2.99Å; V160-E164 PolarHBondContact O-N 3.34Å; V161-E164 PolarHBondContact O-N 2.89Å; E164-D167 WeakPolarHBondContact O-CB 3.19Å; E164-D167 PolarHBondContact O-N 3.21Å; E164-C168 PolarHBondContact O-N 2.91Å; E164-R221 WeakPolarHBondContact OE1-CD 3.36Å; E164-R221 IonicContact OE1-CZ 3.9Å; E164-R221 IonicContact OE1-NE 3.52Å; E164-R221 IonicContact OE1-NH1 3.77Å; E164-R221 PolarHBondContact OE1-NH1 2.96Å
165	L	88.6	Confident	85	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.9	-43.5	175.5	-178.2	66.6	0	0	0	111.8	L109 V124 I147 V161 S162 A163 D167 C168 I169	L109-L165 HydrophobicContact CD1-CD2 3.96Å; L109-L165 HydrophobicContact CD2-CD2 3.83Å; V124-L165 HydrophobicContact CB-CD1 3.58Å; V124-L165 HydrophobicContact CG1-CD1 3.51Å; V124-L165 HydrophobicContact CG1-CD2 4.28Å; V124-L165 HydrophobicContact CG1-CG 4.39Å; V124-L165 HydrophobicContact CG2-CD1 4.41Å; I147-L165 HydrophobicContact CG1-CD2 4.34Å; V161-L165 WeakPolarHBondContact O-CB 3.38Å; V161-L165 PolarHBondContact O-N 3.46Å; S162-L165 PolarHBondContact O-N 2.92Å; A163-L165 VanDerWaalsContact C-N 3.25Å; A163-L165 PolarHBondContact O-N 3.02Å; L165-D167 VanDerWaalsContact C-N 3.25Å; L165-D167 PolarHBondContact O-N 3.28Å; L165-C168 WeakPolarHBondContact O-CB 3.04Å; L165-C168 PolarHBondContact O-N 3.29Å; L165-C168 VanDerWaalsContact O-N 3.15Å; L165-I169 HydrophobicContact CD1-CD1 4.44Å; L165-I169 HydrophobicContact CD2-CD1 4.5Å; L165-I169 HydrophobicContact CG-CD1 3.99Å; L165-I169 WeakPolarHBondContact O-CG1 3.34Å; L165-I169 PolarHBondContact O-N 3.29Å
166	L	86.5	Confident	84.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-54.5	-47	173.5	177.5	62	0	0	0	110.1	I147 I151 S162 A163 C168 I169 L170 F176 F188 Y192	I147-L166 HydrophobicContact CD1-CD1 4.4Å; I147-L166 HydrophobicContact CG2-CB 4.24Å; I151-L166 HydrophobicContact CD1-CD2 4.12Å; S162-L166 PolarHBondContact O-N 3.49Å; A163-L166 WeakPolarHBondContact O-CB 3.2Å; A163-L166 PolarHBondContact O-N 3.39Å; L166-C168 VanDerWaalsContact C-N 3.27Å; L166-C168 PolarHBondContact O-N 3.26Å; L166-I169 PolarHBondContact O-N 2.96Å; L166-L170 HydrophobicContact CD1-CD1 4.17Å; L166-L170 HydrophobicContact CD1-CD2 4.12Å; L166-L170 HydrophobicContact CD1-CG 3.94Å; L166-L170 HydrophobicContact CG-CD1 4.02Å; L166-L170 HydrophobicContact CG-CG 4.16Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 3.1Å; L166-F176 HydrophobicContact CD1-CD1 4.32Å; L166-F176 HydrophobicContact CD1-CE1 3.84Å; L166-F188 HydrophobicContact CD2-CE1 4.38Å; L166-Y192 HydrophobicContact CD2-CE2 4.37Å
167	D	82.9	Confident	84.5	Confident	11 Å²	11	26.7 Å²	26.7	6%	0.059	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-40.1	178	-75.5	11.6	0	0	0	113.6	A163 E164 L165 Q171 S225 K228	A163-D167 PolarHBondContact O-N 3.23Å; E164-D167 WeakPolarHBondContact O-CB 3.19Å; E164-D167 PolarHBondContact O-N 3.21Å; L165-D167 VanDerWaalsContact C-N 3.25Å; L165-D167 PolarHBondContact O-N 3.28Å; D167-Q171 VanDerWaalsContact O-CB 3.3Å; D167-Q171 WeakPolarHBondContact O-CB 3.23Å; D167-Q171 PolarHBondContact O-N 3.46Å; D167-Q171 VanDerWaalsContact O-N 3.1Å; D167-S225 VanDerWaalsContact CG-CA 3.49Å; D167-S225 WeakPolarHBondContact OD1-CA 3.34Å; D167-S225 WeakPolarHBondContact OD1-CB 3.26Å; D167-S225 PolarHBondContact OD1-OG 3.35Å; D167-S225 WeakPolarHBondContact OD2-CA 3.35Å; D167-S225 PolarHBondContact OD2-N 3.34Å; D167-K228 HydrophobicContact CB-CD 3.89Å; D167-K228 IonicContact OD2-NZ 3.91Å
168	C	86.4	Confident	83.8	Confident	17 Å²	17	29.2 Å²	29.2	12%	0.115	14%	0.141	C	C	.	.	H	α-helix	trans	-66.7	-42.2	177.3	-171.2	0	0	0	0	111.2	S125 E164 L165 L166 Q171 K172	S125-C168 VanDerWaalsContact CB-SG 3.51Å; S125-C168 PolarHBondContact OG-SG 3.2Å; S125-C168 VanDerWaalsContact OG-SG 3.34Å; E164-C168 PolarHBondContact O-N 2.91Å; L165-C168 WeakPolarHBondContact O-CB 3.04Å; L165-C168 PolarHBondContact O-N 3.29Å; L165-C168 VanDerWaalsContact O-N 3.15Å; L166-C168 VanDerWaalsContact C-N 3.27Å; L166-C168 PolarHBondContact O-N 3.26Å; C168-Q171 PolarHBondContact O-N 3.46Å; C168-K172 PolarHBondContact O-N 3.1Å
169	I	87.4	Confident	83	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-46.1	179	-66.6	161.4	0	0	0	110.4	M128 I143 I147 L165 L166 Q171 K172 H173 F176	M128-I169 HydrophobicContact CG-CG1 3.87Å; M128-I169 HydrophobicContact SD-CG1 3.92Å; I143-I169 HydrophobicContact CG2-CD1 3.65Å; I147-I169 HydrophobicContact CD1-CD1 3.5Å; L165-I169 HydrophobicContact CD1-CD1 4.44Å; L165-I169 HydrophobicContact CD2-CD1 4.5Å; L165-I169 HydrophobicContact CG-CD1 3.99Å; L165-I169 WeakPolarHBondContact O-CG1 3.34Å; L165-I169 PolarHBondContact O-N 3.29Å; L166-I169 PolarHBondContact O-N 2.96Å; I169-Q171 VanDerWaalsContact C-N 3.27Å; I169-Q171 PolarHBondContact O-N 3.43Å; I169-K172 PolarHBondContact O-N 3.39Å; I169-H173 CarbonylContact O-C 3.46Å; I169-H173 WeakPolarHBondContact O-CA 3.46Å; I169-H173 PolarHBondContact O-N 2.9Å; I169-F176 HydrophobicContact CG2-CB 3.89Å; I169-F176 HydrophobicContact CG2-CD1 3.84Å; I169-F176 HydrophobicContact CG2-CD2 4.04Å; I169-F176 HydrophobicContact CG2-CE1 4.37Å; I169-F176 HydrophobicContact CG2-CG 3.64Å
170	L	83.7	Confident	82.2	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-35.7	178.6	-64.7	-172.9	0	0	0	112.5	L166 K172 F176 L177 F229 V232	L166-L170 HydrophobicContact CD1-CD1 4.17Å; L166-L170 HydrophobicContact CD1-CD2 4.12Å; L166-L170 HydrophobicContact CD1-CG 3.94Å; L166-L170 HydrophobicContact CG-CD1 4.02Å; L166-L170 HydrophobicContact CG-CG 4.16Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 3.1Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-F176 HydrophobicContact CD2-CD1 4.01Å; L170-L177 HydrophobicContact CD1-CD1 4Å; L170-L177 HydrophobicContact CD2-CD1 3.52Å; L170-L177 HydrophobicContact CD2-CD2 4.03Å; L170-L177 HydrophobicContact CD2-CG 3.37Å; L170-L177 HydrophobicContact CG-CD1 4.41Å; L170-F229 HydrophobicContact CD1-CB 4.24Å; L170-V232 HydrophobicContact CB-CG2 4.37Å
171	Q	81.2	Confident	81.1	Confident	146 Å²	146	33.7 Å²	33.7	68%	0.682	18%	0.177	S	C	*	.	H	α-helix	trans	-66.2	-35.9	177.6	-177.7	175.2	0.4	0	0	112.6	D167 C168 I169	D167-Q171 VanDerWaalsContact O-CB 3.3Å; D167-Q171 WeakPolarHBondContact O-CB 3.23Å; D167-Q171 PolarHBondContact O-N 3.46Å; D167-Q171 VanDerWaalsContact O-N 3.1Å; C168-Q171 PolarHBondContact O-N 3.46Å; I169-Q171 VanDerWaalsContact C-N 3.27Å; I169-Q171 PolarHBondContact O-N 3.43Å
172	K	85	Confident	79.9	Confident	83 Å²	83	38.9 Å²	38.9	36%	0.361	20%	0.195	S	C	.	.	H	α-helix	trans	-96.1	-32.3	-176.2	-65	-175.9	177.5	-171.6	0	113.2	S125 M128 G129 C168 I169 L170	S125-K172 PolarHBondContact O-NZ 3.3Å; M128-K172 HydrophobicContact CB-CD 3.71Å; M128-K172 WeakPolarHBondContact O-CD 3.4Å; G129-K172 VanDerWaalsContact CA-NZ 3.27Å; G129-K172 VanDerWaalsContact N-NZ 3.19Å; C168-K172 PolarHBondContact O-N 3.1Å; I169-K172 PolarHBondContact O-N 3.39Å; L170-K172 VanDerWaalsContact C-N 3.34Å
173	H	86.3	Confident	78.7	Confident	7 Å²	7	49.3 Å²	49.3	3%	0.032	24%	0.235	C	C	.	.			trans	-137.3	71.7	-173.4	-55.5	-62.2	0	0	0	110.3	M128 V131 S133 L136 I169 I175 F176	M128-H173 PolarHBondContact O-NE2 2.89Å; V131-H173 PolarHBondContact O-CE1 2.86Å; S133-H173 PolarHBondContact OG-ND1 3.49Å; L136-H173 WeakPolarHBondContact CD2-CD2 3.35Å; I169-H173 CarbonylContact O-C 3.46Å; I169-H173 WeakPolarHBondContact O-CA 3.46Å; I169-H173 PolarHBondContact O-N 2.9Å; H173-I175 PolarHBondContact O-N 3.22Å; H173-I175 VanDerWaalsContact O-N 3.11Å; H173-F176 WeakPolarHBondContact O-CB 3.34Å; H173-F176 PolarHBondContact O-N 2.91Å
174	P	78.5	Confident	77.9	Confident	28 Å²	28	50.1 Å²	50.1	18%	0.182	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.6	178.1	23.8	-34.4	0	0	0	113	F176 L177 V232 T237	P174-F176 PolarHBondContact O-N 2.94Å; P174-F176 VanDerWaalsContact O-N 3.12Å; P174-L177 PolarHBondContact O-N 3.1Å; P174-V232 HydrophobicContact CB-CG1 3.82Å; P174-V232 HydrophobicContact CB-CG2 4.42Å; P174-T237 HydrophobicContact CB-CG2 3.52Å; P174-T237 HydrophobicContact CG-CG2 3.75Å
175	I	80.6	Confident	77.2	Confident	77 Å²	77	48 Å²	48	40%	0.395	23%	0.23	S	C	.	.	H	α-helix	trans	-57.5	-25	174.1	-54.5	171.8	0	0	0	111.7	F140 H173 L177 K178 S179	F140-I175 HydrophobicContact CE2-CG2 4.32Å; H173-I175 PolarHBondContact O-N 3.22Å; H173-I175 VanDerWaalsContact O-N 3.11Å; I175-L177 VanDerWaalsContact C-N 3.26Å; I175-L177 PolarHBondContact O-N 3.34Å; I175-K178 WeakPolarHBondContact O-CB 3.22Å; I175-K178 PolarHBondContact O-N 3.23Å; I175-S179 PolarHBondContact O-N 3Å; I175-S179 PolarHBondContact O-OG 3.25Å
176	F	82.9	Confident	76.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-49.4	-45.1	176.4	175.6	-106.5	0	0	0	112.5	F140 I143 A144 I147 L166 I169 L170 H173 P174 S179 C180	F140-F176 HydrophobicContact CB-CD2 3.97Å; F140-F176 HydrophobicContact CB-CE2 4.17Å; F140-F176 AromaticContact CD1-CD2 3.5Å; F140-F176 HydrophobicContact CD1-CD2 3.5Å; F140-F176 HydrophobicContact CD1-CE2 4.24Å; F140-F176 HydrophobicContact CD1-CG 4.49Å; F140-F176 HydrophobicContact CE1-CB 4.23Å; F140-F176 HydrophobicContact CE1-CD2 4Å; F140-F176 AromaticContact CG-CD2 3.81Å; F140-F176 HydrophobicContact CG-CD2 3.81Å; F140-F176 HydrophobicContact CG-CE2 4.46Å; F140-F176 HydrophobicContact CZ-CB 4.35Å; I143-F176 HydrophobicContact CB-CE2 4.05Å; I143-F176 HydrophobicContact CG2-CE2 3.83Å; I143-F176 HydrophobicContact CG2-CZ 4.05Å; A144-F176 HydrophobicContact CB-CE2 4.31Å; A144-F176 HydrophobicContact CB-CZ 3.95Å; I147-F176 HydrophobicContact CD1-CE1 4.37Å; I147-F176 HydrophobicContact CD1-CZ 4.07Å; L166-F176 HydrophobicContact CD1-CD1 4.32Å; L166-F176 HydrophobicContact CD1-CE1 3.84Å; I169-F176 HydrophobicContact CG2-CB 3.89Å; I169-F176 HydrophobicContact CG2-CD1 3.84Å; I169-F176 HydrophobicContact CG2-CD2 4.04Å; I169-F176 HydrophobicContact CG2-CE1 4.37Å; I169-F176 HydrophobicContact CG2-CG 3.64Å; L170-F176 HydrophobicContact CD2-CD1 4.01Å; H173-F176 WeakPolarHBondContact O-CB 3.34Å; H173-F176 PolarHBondContact O-N 2.91Å; P174-F176 PolarHBondContact O-N 2.94Å; P174-F176 VanDerWaalsContact O-N 3.12Å; F176-S179 PolarHBondContact O-N 3.36Å; F176-C180 VanDerWaalsContact CZ-SG 3.53Å; F176-C180 PolarHBondContact O-N 3.39Å; F176-C180 PolarHBondContact O-SG 3.23Å
177	L	75.7	Confident	75.5	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-37.5	179.4	-75.7	176.3	0	0	0	112.7	L170 P174 I175 S179 C180 I185 F229 V232	L170-L177 HydrophobicContact CD1-CD1 4Å; L170-L177 HydrophobicContact CD2-CD1 3.52Å; L170-L177 HydrophobicContact CD2-CD2 4.03Å; L170-L177 HydrophobicContact CD2-CG 3.37Å; L170-L177 HydrophobicContact CG-CD1 4.41Å; P174-L177 PolarHBondContact O-N 3.1Å; I175-L177 VanDerWaalsContact C-N 3.26Å; I175-L177 PolarHBondContact O-N 3.34Å; L177-S179 VanDerWaalsContact C-N 3.27Å; L177-S179 PolarHBondContact O-N 3.31Å; L177-C180 PolarHBondContact O-N 3.02Å; L177-I185 WeakPolarHBondContact O-CD1 3.29Å; L177-F229 HydrophobicContact CD1-CD2 3.9Å; L177-F229 HydrophobicContact CD1-CE2 4.16Å; L177-F229 HydrophobicContact CD2-CD2 3.9Å; L177-F229 HydrophobicContact CD2-CE2 3.64Å; L177-V232 HydrophobicContact CB-CG1 4.34Å; L177-V232 HydrophobicContact CD1-CB 3.73Å; L177-V232 HydrophobicContact CD1-CG1 3.65Å; L177-V232 HydrophobicContact CG-CG1 4.38Å
178	K	70.3	Confident	74.9	Confident	111 Å²	111	50.6 Å²	50.6	48%	0.483	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-32.7	177.3	-62.6	-174.7	178.5	-175.6	0	112	I175	I175-K178 WeakPolarHBondContact O-CB 3.22Å; I175-K178 PolarHBondContact O-N 3.23Å
179	S	70.9	Confident	74.1	Confident	57 Å²	57	49.9 Å²	49.9	40%	0.399	24%	0.24	S	C	.	.	H	α-helix	trans	-88.6	-16.6	-179.7	-58.6	0	0	0	0	114.2	F140 I175 F176 L177	F140-S179 WeakPolarHBondContact CD2-OG 3.39Å; I175-S179 PolarHBondContact O-N 3Å; I175-S179 PolarHBondContact O-OG 3.25Å; F176-S179 PolarHBondContact O-N 3.36Å; L177-S179 VanDerWaalsContact C-N 3.27Å; L177-S179 PolarHBondContact O-N 3.31Å
180	C	69	Low	73.1	Confident	7 Å²	7	54.1 Å²	54.1	5%	0.047	26%	0.26	C	S	.	.	S	Bend	trans	-65.3	134.6	174.9	-77.1	0	0	0	0	110.3	F176 L177 V184 I185	F176-C180 VanDerWaalsContact CZ-SG 3.53Å; F176-C180 PolarHBondContact O-N 3.39Å; F176-C180 PolarHBondContact O-SG 3.23Å; L177-C180 PolarHBondContact O-N 3.02Å; C180-V184 HydrophobicContact CB-CB 4.27Å; C180-V184 HydrophobicContact CB-CG1 3.93Å; C180-I185 HydrophobicContact CB-CG1 4.24Å
181	S	60.4	Low	72.4	Confident	71 Å²	71	55.5 Å²	55.5	50%	0.497	27%	0.267	S	S	.	.			trans	-55	147	176.5	69.6	0	0	0	0	111.7	R183 V184 I185	S181-R183 PolarHBondContact O-N 3.43Å; S181-V184 WeakPolarHBondContact O-CB 3.39Å; S181-V184 PolarHBondContact O-N 3.27Å; S181-V184 WeakPolarHBondContact OG-CG2 3.44Å; S181-I185 PolarHBondContact O-N 2.93Å
182	R	62.7	Low	71.8	Confident	121 Å²	121	48.7 Å²	48.7	46%	0.457	24%	0.235	S	C	.	.	H	α-helix	trans	-46.3	-37	176.9	-69.8	178.7	175.3	170	-1.7	113	V184 I185 G186 D260 E261	R182-V184 PolarHBondContact O-N 3.29Å; R182-I185 PolarHBondContact O-N 3.09Å; R182-G186 PolarHBondContact O-N 3.43Å; R182-D260 PolarHBondContact NH1-O 3.18Å; R182-E261 IonicContact CZ-OE1 2.82Å; R182-E261 IonicContact NE-OE1 3.48Å; R182-E261 PolarHBondContact NE-OE1 3.47Å; R182-E261 VanDerWaalsContact NH2-CD 3.34Å; R182-E261 IonicContact NH2-OE1 2.65Å; R182-E261 PolarHBondContact NH2-OE1 3.1Å
183	R	65.7	Low	71	Confident	219 Å²	219	44.9 Å²	44.9	83%	0.826	22%	0.218	S	C	*	.	H	α-helix	trans	-64.1	-37.4	177.9	-172.1	176.1	-177	174	1.9	113.5	S181 L187	S181-R183 PolarHBondContact O-N 3.43Å; R183-L187 WeakPolarHBondContact O-CB 3.35Å; R183-L187 PolarHBondContact O-N 3.25Å
184	V	66.7	Low	69.7	Low	21 Å²	21	45.2 Å²	45.2	13%	0.127	22%	0.221	C	C	.	.	H	α-helix	trans	-70.7	-45.1	177.7	165.9	0	0	0	0	110	A144 C180 S181 R182 L187 F188	A144-V184 HydrophobicContact CB-CG1 3.92Å; A144-V184 HydrophobicContact CB-CG2 4.23Å; C180-V184 HydrophobicContact CB-CB 4.27Å; C180-V184 HydrophobicContact CB-CG1 3.93Å; S181-V184 WeakPolarHBondContact O-CB 3.39Å; S181-V184 PolarHBondContact O-N 3.27Å; S181-V184 WeakPolarHBondContact OG-CG2 3.44Å; R182-V184 PolarHBondContact O-N 3.29Å; V184-L187 PolarHBondContact O-N 3.04Å; V184-F188 HydrophobicContact CG1-CD2 3.67Å; V184-F188 HydrophobicContact CG1-CE2 3.24Å; V184-F188 HydrophobicContact CG1-CZ 4.22Å; V184-F188 WeakPolarHBondContact O-CD2 3.32Å; V184-F188 PolarHBondContact O-N 2.98Å
185	I	69	Low	68.4	Low	20 Å²	20	44.9 Å²	44.9	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-49.7	175.4	-58.5	173.3	0	0	0	109.4	L177 C180 S181 R182 L187 F188 V189 F229 L233 I264	L177-I185 WeakPolarHBondContact O-CD1 3.29Å; C180-I185 HydrophobicContact CB-CG1 4.24Å; S181-I185 PolarHBondContact O-N 2.93Å; R182-I185 PolarHBondContact O-N 3.09Å; I185-L187 VanDerWaalsContact C-N 3.32Å; I185-L187 PolarHBondContact O-N 3.38Å; I185-F188 PolarHBondContact O-N 3.24Å; I185-V189 HydrophobicContact CG2-CG2 4.06Å; I185-V189 WeakPolarHBondContact O-CG2 3.4Å; I185-V189 PolarHBondContact O-N 3.02Å; I185-F229 HydrophobicContact CG2-CZ 4.49Å; I185-L233 HydrophobicContact CG2-CD1 4.37Å; I185-I264 HydrophobicContact CG2-CD1 3.76Å
186	G	69.2	Low	66.9	Low	5 Å²	5	52.7 Å²	52.7	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-55.2	-43.7	176.4	0	0	0	0	0	112.9	R182 F188 V189 Q190	R182-G186 PolarHBondContact O-N 3.43Å; G186-F188 PolarHBondContact O-N 3.05Å; G186-V189 PolarHBondContact O-N 3.18Å; G186-Q190 VanDerWaalsContact O-CB 3.28Å; G186-Q190 WeakPolarHBondContact O-CB 3.49Å; G186-Q190 WeakPolarHBondContact O-CG 3.22Å; G186-Q190 PolarHBondContact O-N 3.27Å
187	L	70.6	Confident	64.9	Low	61 Å²	61	60.5 Å²	60.5	32%	0.319	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-43.5	174.2	-176.8	69.5	0	0	0	111.8	C148 T152 R183 V184 I185 Q190 L191	C148-L187 HydrophobicContact CB-CD2 3.76Å; T152-L187 HydrophobicContact CG2-CD1 4.31Å; T152-L187 HydrophobicContact CG2-CD2 4.22Å; T152-L187 HydrophobicContact CG2-CG 4.48Å; R183-L187 WeakPolarHBondContact O-CB 3.35Å; R183-L187 PolarHBondContact O-N 3.25Å; V184-L187 PolarHBondContact O-N 3.04Å; I185-L187 VanDerWaalsContact C-N 3.32Å; I185-L187 PolarHBondContact O-N 3.38Å; L187-Q190 PolarHBondContact O-N 3.08Å; L187-L191 WeakPolarHBondContact O-CB 3.27Å; L187-L191 PolarHBondContact O-N 3.01Å
188	F	70.6	Confident	62.9	Low	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-46.7	177.1	-72.5	-55.1	0	0	0	111.9	I147 I151 L166 V184 I185 G186 Q190 L191 Y192 F229	I147-F188 HydrophobicContact CB-CZ 4.35Å; I147-F188 HydrophobicContact CG2-CE1 3.88Å; I147-F188 HydrophobicContact CG2-CZ 3.67Å; I151-F188 HydrophobicContact CD1-CD1 4.02Å; I151-F188 HydrophobicContact CD1-CE1 3.5Å; I151-F188 HydrophobicContact CG1-CE1 4.17Å; L166-F188 HydrophobicContact CD2-CE1 4.38Å; V184-F188 HydrophobicContact CG1-CD2 3.67Å; V184-F188 HydrophobicContact CG1-CE2 3.24Å; V184-F188 HydrophobicContact CG1-CZ 4.22Å; V184-F188 WeakPolarHBondContact O-CD2 3.32Å; V184-F188 PolarHBondContact O-N 2.98Å; I185-F188 PolarHBondContact O-N 3.24Å; G186-F188 PolarHBondContact O-N 3.05Å; F188-Q190 VanDerWaalsContact C-N 3.29Å; F188-Q190 PolarHBondContact O-N 3.13Å; F188-L191 PolarHBondContact O-N 3.33Å; F188-L191 VanDerWaalsContact O-N 3.12Å; F188-Y192 HydrophobicContact CB-CD2 4.36Å; F188-Y192 HydrophobicContact CD1-CE2 4.06Å; F188-Y192 WeakPolarHBondContact O-CD2 3.48Å; F188-Y192 PolarHBondContact O-N 3.37Å; F188-F229 HydrophobicContact CB-CE2 3.89Å; F188-F229 HydrophobicContact CB-CZ 3.99Å; F188-F229 HydrophobicContact CG-CE2 4.44Å
189	V	69	Low	61.6	Low	1 Å²	1	67.9 Å²	67.9	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-42	177.3	-169.1	0	0	0	0	109.6	I185 G186 L191 M193 F229 F267 L268	I185-V189 HydrophobicContact CG2-CG2 4.06Å; I185-V189 WeakPolarHBondContact O-CG2 3.4Å; I185-V189 PolarHBondContact O-N 3.02Å; G186-V189 PolarHBondContact O-N 3.18Å; V189-L191 VanDerWaalsContact C-N 3.34Å; V189-L191 PolarHBondContact O-N 3.16Å; V189-M193 HydrophobicContact CG1-CB 4.39Å; V189-M193 HydrophobicContact CG1-CG 4.45Å; V189-M193 CarbonylContact O-C 3.39Å; V189-M193 WeakPolarHBondContact O-CA 3.5Å; V189-M193 WeakPolarHBondContact O-CB 3.39Å; V189-M193 PolarHBondContact O-N 3.49Å; V189-F229 HydrophobicContact CG2-CE1 3.99Å; V189-F229 HydrophobicContact CG2-CZ 3.9Å; V189-F267 HydrophobicContact CB-CD1 4.12Å; V189-F267 HydrophobicContact CB-CE1 4.15Å; V189-F267 HydrophobicContact CG1-CD1 3.27Å; V189-F267 HydrophobicContact CG1-CE1 3.47Å; V189-F267 VanDerWaalsContact CG1-CE1 3.47Å; V189-F267 HydrophobicContact CG1-CG 4.42Å; V189-L268 HydrophobicContact CG1-CD2 3.97Å; V189-L268 HydrophobicContact CG1-CG 4.42Å
190	Q	67.9	Low	60	Low	90 Å²	90	71.4 Å²	71.4	42%	0.421	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-37.6	173.4	-76.2	173.6	-0.2	0	0	114	G186 L187 F188 P194 F267	G186-Q190 VanDerWaalsContact O-CB 3.28Å; G186-Q190 WeakPolarHBondContact O-CB 3.49Å; G186-Q190 WeakPolarHBondContact O-CG 3.22Å; G186-Q190 PolarHBondContact O-N 3.27Å; L187-Q190 PolarHBondContact O-N 3.08Å; F188-Q190 VanDerWaalsContact C-N 3.29Å; F188-Q190 PolarHBondContact O-N 3.13Å; Q190-P194 VanDerWaalsContact O-CA 3.22Å; Q190-P194 WeakPolarHBondContact O-CA 3.37Å; Q190-P194 WeakPolarHBondContact O-CD 3.49Å; Q190-P194 VanDerWaalsContact O-N 3.11Å; Q190-F267 HydrophobicContact CB-CZ 4.12Å; Q190-F267 HydrophobicContact CG-CD2 4.46Å; Q190-F267 HydrophobicContact CG-CE1 4.4Å; Q190-F267 HydrophobicContact CG-CE2 3.56Å; Q190-F267 HydrophobicContact CG-CZ 3.53Å
191	L	68.1	Low	58.3	Low	33 Å²	33	75.9 Å²	75.9	17%	0.173	39%	0.389	C	S	.	.	H	α-helix	trans	-77.2	-38.6	-175.4	-175.4	60.5	0	0	0	112.5	I151 T152 L187 F188 V189 L208	I151-L191 HydrophobicContact CB-CD2 3.44Å; I151-L191 VanDerWaalsContact CB-CD2 3.44Å; I151-L191 HydrophobicContact CG2-CD2 3.17Å; I151-L191 HydrophobicContact CG2-CG 4Å; T152-L191 HydrophobicContact CG2-CD1 4.46Å; T152-L191 HydrophobicContact CG2-CD2 4.03Å; L187-L191 WeakPolarHBondContact O-CB 3.27Å; L187-L191 PolarHBondContact O-N 3.01Å; F188-L191 PolarHBondContact O-N 3.33Å; F188-L191 VanDerWaalsContact O-N 3.12Å; V189-L191 VanDerWaalsContact C-N 3.34Å; V189-L191 PolarHBondContact O-N 3.16Å; L191-L208 HydrophobicContact CD1-CD1 4.41Å; L191-L208 HydrophobicContact CG-CD1 4.07Å
192	Y	69.4	Low	57.3	Low	4 Å²	4	82.3 Å²	82.3	2%	0.016	41%	0.408	C	S	.	.	H	α-helix	trans	-86	-28.5	175.9	-69.2	-78.9	0	0	0	112.7	I151 L166 F188 L208 I222 S225 L226	I151-Y192 HydrophobicContact CD1-CE2 4.27Å; I151-Y192 WeakPolarHBondContact CD1-OH 3.4Å; L166-Y192 HydrophobicContact CD2-CE2 4.37Å; F188-Y192 HydrophobicContact CB-CD2 4.36Å; F188-Y192 HydrophobicContact CD1-CE2 4.06Å; F188-Y192 WeakPolarHBondContact O-CD2 3.48Å; F188-Y192 PolarHBondContact O-N 3.37Å; Y192-L208 HydrophobicContact CD1-CD1 4.21Å; Y192-L208 HydrophobicContact CE1-CD1 4.3Å; Y192-I222 HydrophobicContact CD1-CG2 4.21Å; Y192-I222 HydrophobicContact CE1-CG2 3.96Å; Y192-S225 PolarHBondContact OH-OG 2.92Å; Y192-S225 VanDerWaalsContact OH-OG 3.08Å; Y192-L226 VanDerWaalsContact CB-CD1 3.44Å; Y192-L226 HydrophobicContact CD1-CB 4Å; Y192-L226 HydrophobicContact CD1-CD1 4.1Å; Y192-L226 HydrophobicContact CE1-CB 4.43Å; Y192-L226 HydrophobicContact CG-CD1 3.86Å
193	M	66.8	Low	56	Low	2 Å²	2	83.4 Å²	83.4	1%	0.01	42%	0.423	C	S	.	.	S	Bend	trans	-131.4	60.3	-176	-48.1	-54.6	-153.1	0	0	112.6	V189 C195 L226 L230 F267 L268 S271 V275 L323	V189-M193 HydrophobicContact CG1-CB 4.39Å; V189-M193 HydrophobicContact CG1-CG 4.45Å; V189-M193 CarbonylContact O-C 3.39Å; V189-M193 WeakPolarHBondContact O-CA 3.5Å; V189-M193 WeakPolarHBondContact O-CB 3.39Å; V189-M193 PolarHBondContact O-N 3.49Å; M193-C195 PolarHBondContact O-N 3.36Å; M193-L226 HydrophobicContact CE-CD1 3.61Å; M193-L226 HydrophobicContact CE-CD2 3.78Å; M193-L226 HydrophobicContact CE-CG 4.01Å; M193-L226 HydrophobicContact SD-CD1 4.09Å; M193-L226 HydrophobicContact SD-CD2 3.91Å; M193-L230 HydrophobicContact CE-CD1 3.82Å; M193-L230 HydrophobicContact CE-CD2 4.01Å; M193-L230 HydrophobicContact CE-CG 4.32Å; M193-F267 HydrophobicContact CB-CE1 4.19Å; M193-F267 WeakPolarHBondContact O-CE1 3.31Å; M193-F267 WeakPolarHBondContact O-CZ 2.97Å; M193-L268 HydrophobicContact CG-CD2 4.48Å; M193-S271 VanDerWaalsContact O-CB 3.28Å; M193-S271 WeakPolarHBondContact O-CB 3.39Å; M193-V275 HydrophobicContact CB-CG2 3.67Å; M193-V275 HydrophobicContact CE-CG1 3.74Å; M193-V275 HydrophobicContact CG-CG2 4.02Å; M193-V275 HydrophobicContact SD-CB 4Å; M193-V275 HydrophobicContact SD-CG1 3.35Å; M193-V275 WeakPolarHBondContact SD-CG1 3.34Å; M193-V275 HydrophobicContact SD-CG2 3.38Å; M193-V275 WeakPolarHBondContact SD-CG2 3.36Å; M193-L323 HydrophobicContact CE-CD1 3.87Å; M193-L323 HydrophobicContact CE-CD2 3.9Å; M193-L323 HydrophobicContact CE-CG 4.48Å
194	P	60.7	Low	54.7	Low	14 Å²	14	82.1 Å²	82.1	9%	0.091	42%	0.424	C	S	.	.			trans	-55.7	124.8	-178.7	23.9	-37.8	0	0	0	112.9	Q190 S205 L207	Q190-P194 VanDerWaalsContact O-CA 3.22Å; Q190-P194 WeakPolarHBondContact O-CA 3.37Å; Q190-P194 WeakPolarHBondContact O-CD 3.49Å; Q190-P194 VanDerWaalsContact O-N 3.11Å; P194-S205 WeakPolarHBondContact CB-O 3.47Å; P194-L207 VanDerWaalsContact CD-CD2 3.4Å; P194-L207 HydrophobicContact CG-CB 4.23Å; P194-L207 HydrophobicContact CG-CD2 3.74Å; P194-L207 HydrophobicContact CG-CG 3.47Å; P194-L207 VanDerWaalsContact CG-CG 3.47Å
195	C	49.6	Very low	53.5	Low	22 Å²	22	85.4 Å²	85.4	15%	0.149	45%	0.448	C	S	.	.			trans	-73.8	137.2	162.5	-77.6	0	0	0	0	109.5	M193 E197 F267 E270 S271	M193-C195 PolarHBondContact O-N 3.36Å; C195-E197 PolarHBondContact O-N 3.04Å; C195-F267 HydrophobicContact CB-CD2 4.39Å; C195-F267 HydrophobicContact CB-CE2 3.7Å; C195-F267 HydrophobicContact CB-CZ 4.03Å; C195-F267 VanDerWaalsContact SG-CD2 3.52Å; C195-F267 WeakPolarHBondContact SG-CE2 3.43Å; C195-F267 VanDerWaalsContact SG-CZ 3.56Å; C195-F267 PolarHBondContact SG-O 3.06Å; C195-E270 VanDerWaalsContact SG-CB 3.6Å; C195-S271 WeakPolarHBondContact SG-CB 3.16Å; C195-S271 PolarHBondContact SG-N 3.44Å; C195-S271 VanDerWaalsContact SG-N 3.41Å
196	R	50.2	Low	52.4	Low	241 Å²	241	86.6 Å²	86.6	91%	0.909	46%	0.458	S	S	*	.			trans	-83.8	99.1	158.7	-73.6	-174.3	175.4	-171.3	0.2	107.5
197	E	40.5	Very low	51.4	Low	164 Å²	164	87 Å²	87	77%	0.766	46%	0.459	S	S	*	.			trans	-76.5	156.3	154	-74.7	-178	-171.9	0	0	109.4	C195	C195-E197 PolarHBondContact O-N 3.04Å
198	D	34.7	Very low	50.5	Low	149 Å²	149	84.4 Å²	84.4	80%	0.797	45%	0.445	S	S	*	.			trans	-56.6	164	-157.7	-65.3	-58.1	0	0	0	117.3	C200	D198-C200 PolarHBondContact O-N 3.24Å
199	S	42	Very low	49.7	Very low	123 Å²	123	84.7 Å²	84.7	86%	0.86	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.2	92.5	174.5	51.6	0	0	0	0	115.2
200	C	36.7	Very low	48.9	Very low	132 Å²	132	88.1 Å²	88.1	89%	0.892	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-166.2	-6.4	143.6	-146	0	0	0	0	117.7	D198	D198-C200 PolarHBondContact O-N 3.24Å
201	S	34.1	Very low	48.3	Very low	101 Å²	101	85.5 Å²	85.5	71%	0.706	45%	0.453	S	S	*	.			trans	-117.7	124	178.5	54.1	0	0	0	0	112.2	D203	S201-D203 PolarHBondContact O-N 3.48Å
202	K	38.3	Very low	47.9	Very low	205 Å²	205	94 Å²	94	89%	0.891	49%	0.489	S	S	*	.			trans	-75.6	10	177.4	-83.7	-179.6	175.9	172.9	0	113.6	K204	K202-K204 PolarHBondContact O-N 3.42Å
203	D	36.7	Very low	47.5	Very low	145 Å²	145	101 Å²	101	78%	0.775	53%	0.526	S	S	*	.			trans	-86.9	99.9	-179.1	-75.1	-23.9	0	0	0	110.3	S201 S205	S201-D203 PolarHBondContact O-N 3.48Å; D203-S205 PolarHBondContact O-N 3.02Å
204	K	38	Very low	47.6	Very low	192 Å²	192	101.6 Å²	101.6	84%	0.835	53%	0.529	S	S	*	.			trans	-62.5	94	177.3	-59.1	168.4	-177.4	174.4	0	109.7	K202 S206	K202-K204 PolarHBondContact O-N 3.42Å; K204-S206 PolarHBondContact O-N 3.33Å
205	S	40.9	Very low	48.3	Very low	90 Å²	90	103.5 Å²	103.5	63%	0.629	54%	0.543	S	S	*	.			trans	-74.6	73.3	149.9	48.8	0	0	0	0	107.3	P194 D203 L207	P194-S205 WeakPolarHBondContact CB-O 3.47Å; D203-S205 PolarHBondContact O-N 3.02Å; S205-L207 PolarHBondContact O-N 3.32Å
206	S	45.4	Very low	49.5	Very low	45 Å²	45	105.1 Å²	105.1	32%	0.315	55%	0.55	S	S	.	.			trans	-54.8	135	174.3	41.7	0	0	0	0	109	K204 L208 D211	K204-S206 PolarHBondContact O-N 3.33Å; S206-L208 PolarHBondContact O-N 3.18Å; S206-D211 WeakPolarHBondContact CB-OD1 3.16Å; S206-D211 VanDerWaalsContact OG-CG 3.3Å; S206-D211 PolarHBondContact OG-OD1 3.31Å; S206-D211 PolarHBondContact OG-OD2 3.45Å
207	L	49.8	Very low	50.7	Low	14 Å²	14	98.1 Å²	98.1	7%	0.073	53%	0.53	C	S	.	.			trans	-47	128	159.7	-81.1	151.5	0	0	0	106.7	P194 S205 I209 D210 D211 V275 C278	P194-L207 VanDerWaalsContact CD-CD2 3.4Å; P194-L207 HydrophobicContact CG-CB 4.23Å; P194-L207 HydrophobicContact CG-CD2 3.74Å; P194-L207 HydrophobicContact CG-CG 3.47Å; P194-L207 VanDerWaalsContact CG-CG 3.47Å; S205-L207 PolarHBondContact O-N 3.32Å; L207-I209 PolarHBondContact O-N 2.58Å; L207-D210 HydrophobicContact CB-CB 4.06Å; L207-D210 PolarHBondContact O-N 3.43Å; L207-D211 PolarHBondContact O-N 2.86Å; L207-V275 HydrophobicContact CD2-CG2 4.33Å; L207-C278 HydrophobicContact CD1-CB 3.6Å; L207-C278 WeakPolarHBondContact CD1-SG 3.15Å
208	L	50.6	Low	52.5	Low	6 Å²	6	92.6 Å²	92.6	3%	0.031	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-24.3	171.8	-73.3	169	0	0	0	111.4	I151 K159 L191 Y192 S206 L214 I222	I151-L208 HydrophobicContact CG2-CD1 4.2Å; K159-L208 HydrophobicContact CD-CD2 3.66Å; L191-L208 HydrophobicContact CD1-CD1 4.41Å; L191-L208 HydrophobicContact CG-CD1 4.07Å; Y192-L208 HydrophobicContact CD1-CD1 4.21Å; Y192-L208 HydrophobicContact CE1-CD1 4.3Å; S206-L208 PolarHBondContact O-N 3.18Å; L208-L214 WeakPolarHBondContact O-CD1 3.28Å; L208-I222 HydrophobicContact CB-CD1 4.3Å; L208-I222 HydrophobicContact CB-CG2 3.93Å; L208-I222 HydrophobicContact CD1-CG2 4.05Å
209	I	53.7	Low	54.6	Low	5 Å²	5	86.2 Å²	86.2	3%	0.026	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-26.8	179.5	-55.8	175.5	0	0	0	113.3	L207 R219 L223 L226 L279 F282	L207-I209 PolarHBondContact O-N 2.58Å; I209-R219 PolarHBondContact O-NE 3.03Å; I209-R219 PolarHBondContact O-NH2 3.3Å; I209-L223 HydrophobicContact CD1-CD1 4.13Å; I209-L226 HydrophobicContact CD1-CD2 4.17Å; I209-L279 HydrophobicContact CD1-CD2 3.79Å; I209-F282 HydrophobicContact CG2-CB 4.18Å; I209-F282 HydrophobicContact CG2-CD1 4.2Å; I209-F282 HydrophobicContact CG2-CG 4.29Å
210	D	53.5	Low	56.3	Low	73 Å²	73	80.6 Å²	80.6	39%	0.39	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-9.4	-176	-86.7	3.2	0	0	0	114.1	L207 K212 C278	L207-D210 HydrophobicContact CB-CB 4.06Å; L207-D210 PolarHBondContact O-N 3.43Å; D210-K212 PolarHBondContact O-N 3.09Å; D210-C278 WeakPolarHBondContact OD1-CB 3.34Å; D210-C278 PolarHBondContact OD1-SG 3.36Å; D210-C278 VanDerWaalsContact OD1-SG 3.41Å; D210-C278 PolarHBondContact OD2-SG 2.9Å
211	D	54.8	Low	58.4	Low	35 Å²	35	79.7 Å²	79.7	19%	0.187	41%	0.408	C	S	.	.			trans	-64.8	100.1	173.6	-87.7	-12.7	0	0	0	108.7	S206 L207 L213 L214	S206-D211 WeakPolarHBondContact CB-OD1 3.16Å; S206-D211 VanDerWaalsContact OG-CG 3.3Å; S206-D211 PolarHBondContact OG-OD1 3.31Å; S206-D211 PolarHBondContact OG-OD2 3.45Å; L207-D211 PolarHBondContact O-N 2.86Å; D211-L213 PolarHBondContact O-N 3.15Å; D211-L214 HydrophobicContact CB-CG 4.27Å; D211-L214 PolarHBondContact O-N 3.41Å
212	K	59.1	Low	60.5	Low	212 Å²	212	75 Å²	75	92%	0.922	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-3.3	170.1	-66.2	-174.6	176.7	-175.2	0	114	D210	D210-K212 PolarHBondContact O-N 3.09Å
213	L	61.6	Low	62.6	Low	151 Å²	151	65.3 Å²	65.3	79%	0.791	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-19.7	175.1	-62.8	173	0	0	0	112.8	D211	D211-L213 PolarHBondContact O-N 3.15Å
214	L	69.1	Low	64.7	Low	15 Å²	15	63.2 Å²	63.2	8%	0.079	31%	0.314	C	S	.	.	S	Bend	trans	-83.7	139.6	178.4	-60.6	-169.8	0	0	0	111.4	V156 L208 D211 E218 R219 I222	V156-L214 HydrophobicContact CB-CD2 3.88Å; V156-L214 HydrophobicContact CG1-CD2 3.09Å; V156-L214 HydrophobicContact CG2-CD2 3.47Å; V156-L214 VanDerWaalsContact CG2-CD2 3.47Å; L208-L214 WeakPolarHBondContact O-CD1 3.28Å; D211-L214 HydrophobicContact CB-CG 4.27Å; D211-L214 PolarHBondContact O-N 3.41Å; L214-E218 HydrophobicContact CB-CB 4.36Å; L214-R219 HydrophobicContact CB-CG 3.61Å; L214-R219 HydrophobicContact CD1-CG 3.91Å; L214-R219 HydrophobicContact CG-CG 4.4Å; L214-I222 HydrophobicContact CD1-CD1 3.57Å
215	S	74.6	Confident	66.7	Low	54 Å²	54	54.1 Å²	54.1	38%	0.378	27%	0.274	S	S	.	.			trans	-65.5	153.2	164.8	64.8	0	0	0	0	110.8	N217 E218 R219	S215-N217 PolarHBondContact O-N 3.24Å; S215-N217 VanDerWaalsContact O-N 3.17Å; S215-E218 WeakPolarHBondContact CB-OE2 3.41Å; S215-E218 PolarHBondContact N-OE2 3.2Å; S215-E218 PolarHBondContact O-N 3.04Å; S215-E218 WeakPolarHBondContact OG-CG 3.48Å; S215-E218 PolarHBondContact OG-N 3.09Å; S215-E218 PolarHBondContact OG-OE2 3.05Å; S215-R219 PolarHBondContact O-N 3.32Å
216	N	74.5	Confident	68.5	Low	55 Å²	55	49.9 Å²	49.9	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-54.7	-36.4	175.1	-73.2	-15.9	0	0	0	111.8	E218 R219 T220	N216-E218 VanDerWaalsContact C-N 3.35Å; N216-E218 PolarHBondContact O-N 3.42Å; N216-R219 PolarHBondContact O-N 3.24Å; N216-R219 PolarHBondContact OD1-NH1 3.44Å; N216-R219 VanDerWaalsContact OD1-NH1 3.13Å; N216-T220 WeakPolarHBondContact O-CG2 3.31Å; N216-T220 PolarHBondContact O-N 3.44Å; N216-T220 PolarHBondContact O-OG1 2.72Å
217	N	77.1	Confident	70.2	Confident	94 Å²	94	48.3 Å²	48.3	50%	0.503	23%	0.233	S	C	.	.	H	α-helix	trans	-64.9	-34.5	176.2	-68.7	-22.2	0	0	0	113.5	S215 T220 R221	S215-N217 PolarHBondContact O-N 3.24Å; S215-N217 VanDerWaalsContact O-N 3.17Å; N217-T220 WeakPolarHBondContact CA-OG1 3.22Å; N217-T220 PolarHBondContact O-OG1 3.3Å; N217-R221 VanDerWaalsContact O-CD 3.31Å; N217-R221 WeakPolarHBondContact O-CD 3.4Å; N217-R221 WeakPolarHBondContact O-CG 3.37Å; N217-R221 PolarHBondContact O-N 3.45Å
218	E	76.3	Confident	71.5	Confident	48 Å²	48	50.3 Å²	50.3	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-74.7	-39.5	175	-70.4	162.5	144.5	0	0	110.8	V160 L214 S215 N216 T220 R221 I222	V160-E218 HydrophobicContact CG2-CB 4.12Å; V160-E218 HydrophobicContact CG2-CG 4.1Å; L214-E218 HydrophobicContact CB-CB 4.36Å; S215-E218 WeakPolarHBondContact CB-OE2 3.41Å; S215-E218 PolarHBondContact N-OE2 3.2Å; S215-E218 PolarHBondContact O-N 3.04Å; S215-E218 WeakPolarHBondContact OG-CG 3.48Å; S215-E218 PolarHBondContact OG-N 3.09Å; S215-E218 PolarHBondContact OG-OE2 3.05Å; N216-E218 VanDerWaalsContact C-N 3.35Å; N216-E218 PolarHBondContact O-N 3.42Å; E218-T220 PolarHBondContact O-N 2.87Å; E218-R221 WeakPolarHBondContact O-CB 3.28Å; E218-R221 PolarHBondContact O-N 2.93Å; E218-I222 WeakPolarHBondContact O-CG1 3.09Å; E218-I222 PolarHBondContact O-N 3.31Å
219	R	79.4	Confident	72.9	Confident	15 Å²	15	50.1 Å²	50.1	6%	0.057	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-43.8	174.6	-67.2	168.9	71.4	-161.3	9.3	111.6	I209 L214 S215 N216 R221 I222 L223 F282 E285	I209-R219 PolarHBondContact O-NE 3.03Å; I209-R219 PolarHBondContact O-NH2 3.3Å; L214-R219 HydrophobicContact CB-CG 3.61Å; L214-R219 HydrophobicContact CD1-CG 3.91Å; L214-R219 HydrophobicContact CG-CG 4.4Å; S215-R219 PolarHBondContact O-N 3.32Å; N216-R219 PolarHBondContact O-N 3.24Å; N216-R219 PolarHBondContact OD1-NH1 3.44Å; N216-R219 VanDerWaalsContact OD1-NH1 3.13Å; R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 3.11Å; R219-I222 PolarHBondContact O-N 3.24Å; R219-L223 VanDerWaalsContact O-CB 3.27Å; R219-L223 WeakPolarHBondContact O-CB 3.34Å; R219-L223 PolarHBondContact O-N 3.41Å; R219-F282 HydrophobicContact CB-CE1 4.34Å; R219-F282 HydrophobicContact CB-CE2 4.31Å; R219-F282 HydrophobicContact CB-CZ 3.91Å; R219-E285 IonicContact CZ-OE2 3.01Å; R219-E285 IonicContact NH1-OE1 2.74Å; R219-E285 PolarHBondContact NH1-OE1 2.87Å; R219-E285 VanDerWaalsContact NH1-OE1 3.13Å; R219-E285 IonicContact NH1-OE2 2.84Å; R219-E285 PolarHBondContact NH1-OE2 3.34Å; R219-E285 IonicContact NH2-OE2 3.76Å; R219-E285 PolarHBondContact NH2-OE2 3.23Å
220	T	79.1	Confident	74	Confident	6 Å²	6	50 Å²	50	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-33.3	177.7	59.4	0	0	0	0	112.2	N216 N217 E218 R224 F282 D312 L315	N216-T220 WeakPolarHBondContact O-CG2 3.31Å; N216-T220 PolarHBondContact O-N 3.44Å; N216-T220 PolarHBondContact O-OG1 2.72Å; N217-T220 WeakPolarHBondContact CA-OG1 3.22Å; N217-T220 PolarHBondContact O-OG1 3.3Å; E218-T220 PolarHBondContact O-N 2.87Å; T220-R224 WeakPolarHBondContact O-CB 3.48Å; T220-R224 PolarHBondContact O-N 3.06Å; T220-F282 HydrophobicContact CG2-CE1 4.29Å; T220-F282 HydrophobicContact CG2-CZ 3.8Å; T220-D312 HydrophobicContact CG2-CB 3.95Å; T220-D312 VanDerWaalsContact CG2-OD1 3.22Å; T220-D312 WeakPolarHBondContact CG2-OD1 3.49Å; T220-L315 WeakPolarHBondContact O-CD2 3.09Å
221	R	79	Confident	75.1	Confident	112 Å²	112	50 Å²	50	42%	0.423	24%	0.237	S	C	.	.	H	α-helix	trans	-65.6	-47.8	172.5	-72.6	166	-172.4	-147	11.2	111.9	V160 E164 N217 E218 R219 L223 R224 S225	V160-R221 HydrophobicContact CG1-CB 4.44Å; E164-R221 WeakPolarHBondContact OE1-CD 3.36Å; E164-R221 IonicContact OE1-CZ 3.9Å; E164-R221 IonicContact OE1-NE 3.52Å; E164-R221 IonicContact OE1-NH1 3.77Å; E164-R221 PolarHBondContact OE1-NH1 2.96Å; N217-R221 VanDerWaalsContact O-CD 3.31Å; N217-R221 WeakPolarHBondContact O-CD 3.4Å; N217-R221 WeakPolarHBondContact O-CG 3.37Å; N217-R221 PolarHBondContact O-N 3.45Å; E218-R221 WeakPolarHBondContact O-CB 3.28Å; E218-R221 PolarHBondContact O-N 2.93Å; R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 3.11Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3.26Å; R221-R224 WeakPolarHBondContact O-CB 3.43Å; R221-R224 PolarHBondContact O-N 3.3Å; R221-S225 PolarHBondContact O-N 3.25Å; R221-S225 VanDerWaalsContact O-N 3.12Å
222	I	78.7	Confident	76	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-41.7	177.2	-66.3	170	0	0	0	110.6	V160 Y192 L208 L214 E218 R219 R224 S225 L226	V160-I222 HydrophobicContact CG2-CD1 4.4Å; V160-I222 HydrophobicContact CG2-CG1 4.5Å; Y192-I222 HydrophobicContact CD1-CG2 4.21Å; Y192-I222 HydrophobicContact CE1-CG2 3.96Å; L208-I222 HydrophobicContact CB-CD1 4.3Å; L208-I222 HydrophobicContact CB-CG2 3.93Å; L208-I222 HydrophobicContact CD1-CG2 4.05Å; L214-I222 HydrophobicContact CD1-CD1 3.57Å; E218-I222 WeakPolarHBondContact O-CG1 3.09Å; E218-I222 PolarHBondContact O-N 3.31Å; R219-I222 PolarHBondContact O-N 3.24Å; I222-R224 VanDerWaalsContact C-N 3.33Å; I222-R224 PolarHBondContact O-N 2.99Å; I222-S225 WeakPolarHBondContact O-CA 3.27Å; I222-S225 VanDerWaalsContact O-CB 3.29Å; I222-S225 WeakPolarHBondContact O-CB 3.24Å; I222-S225 PolarHBondContact O-N 2.69Å; I222-S225 VanDerWaalsContact O-N 3.11Å; I222-L226 PolarHBondContact O-N 3.25Å
223	L	82.2	Confident	76.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-38.7	176.8	179.8	63.4	0	0	0	112.3	I209 R219 R221 S225 L226 L227 L279 F282 L315 I316 T319	I209-L223 HydrophobicContact CD1-CD1 4.13Å; R219-L223 VanDerWaalsContact O-CB 3.27Å; R219-L223 WeakPolarHBondContact O-CB 3.34Å; R219-L223 PolarHBondContact O-N 3.41Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3.26Å; L223-S225 PolarHBondContact O-N 3.05Å; L223-L226 HydrophobicContact CD1-CD2 4.36Å; L223-L226 PolarHBondContact O-N 3.39Å; L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 PolarHBondContact O-N 3.22Å; L223-L279 HydrophobicContact CD1-CD2 3.47Å; L223-L279 VanDerWaalsContact CD1-CD2 3.47Å; L223-F282 HydrophobicContact CD2-CD1 4.2Å; L223-F282 HydrophobicContact CD2-CE1 3.92Å; L223-L315 HydrophobicContact CB-CD2 4.28Å; L223-L315 HydrophobicContact CD2-CD2 4.06Å; L223-L315 HydrophobicContact CD2-CG 3.94Å; L223-L315 HydrophobicContact CG-CD2 4.13Å; L223-L315 HydrophobicContact CG-CG 4.07Å; L223-I316 HydrophobicContact CD2-CB 4.16Å; L223-I316 HydrophobicContact CD2-CG1 3.4Å; L223-I316 VanDerWaalsContact CD2-CG1 3.4Å; L223-T319 HydrophobicContact CD1-CG2 3.83Å
224	R	81.2	Confident	77	Confident	102 Å²	102	34.2 Å²	34.2	39%	0.385	16%	0.164	S	C	.	.	H	α-helix	trans	-61.2	-37.1	174.1	-170.2	176.7	-64.4	110	3.8	111.2	T220 R221 I222 K228 L315	T220-R224 WeakPolarHBondContact O-CB 3.48Å; T220-R224 PolarHBondContact O-N 3.06Å; R221-R224 WeakPolarHBondContact O-CB 3.43Å; R221-R224 PolarHBondContact O-N 3.3Å; I222-R224 VanDerWaalsContact C-N 3.33Å; I222-R224 PolarHBondContact O-N 2.99Å; R224-K228 WeakPolarHBondContact O-CG 3.24Å; R224-K228 PolarHBondContact O-N 3.44Å; R224-K228 VanDerWaalsContact O-N 3.12Å; R224-L315 HydrophobicContact CB-CD1 4.36Å; R224-L315 HydrophobicContact CB-CD2 4.01Å; R224-L315 HydrophobicContact CG-CD1 4.47Å
225	S	79.6	Confident	76.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.7	-45.5	175.5	-174.7	0	0	0	0	112.8	A163 D167 Y192 R221 I222 L223 L227 K228 F229	A163-S225 PolarHBondContact O-OG 2.9Å; D167-S225 VanDerWaalsContact CG-CA 3.49Å; D167-S225 WeakPolarHBondContact OD1-CA 3.34Å; D167-S225 WeakPolarHBondContact OD1-CB 3.26Å; D167-S225 PolarHBondContact OD1-OG 3.35Å; D167-S225 WeakPolarHBondContact OD2-CA 3.35Å; D167-S225 PolarHBondContact OD2-N 3.34Å; Y192-S225 PolarHBondContact OH-OG 2.92Å; Y192-S225 VanDerWaalsContact OH-OG 3.08Å; R221-S225 PolarHBondContact O-N 3.25Å; R221-S225 VanDerWaalsContact O-N 3.12Å; I222-S225 WeakPolarHBondContact O-CA 3.27Å; I222-S225 VanDerWaalsContact O-CB 3.29Å; I222-S225 WeakPolarHBondContact O-CB 3.24Å; I222-S225 PolarHBondContact O-N 2.69Å; I222-S225 VanDerWaalsContact O-N 3.11Å; L223-S225 PolarHBondContact O-N 3.05Å; S225-L227 VanDerWaalsContact C-N 3.34Å; S225-L227 PolarHBondContact O-N 3.29Å; S225-K228 PolarHBondContact O-N 2.88Å; S225-F229 WeakPolarHBondContact O-CB 3.39Å; S225-F229 PolarHBondContact O-N 2.9Å
226	L	80.1	Confident	75.6	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-45.4	173.7	179.1	55	0	0	0	112.1	Y192 M193 I209 I222 L223 K228 F229 L230	Y192-L226 VanDerWaalsContact CB-CD1 3.44Å; Y192-L226 HydrophobicContact CD1-CB 4Å; Y192-L226 HydrophobicContact CD1-CD1 4.1Å; Y192-L226 HydrophobicContact CE1-CB 4.43Å; Y192-L226 HydrophobicContact CG-CD1 3.86Å; M193-L226 HydrophobicContact CE-CD1 3.61Å; M193-L226 HydrophobicContact CE-CD2 3.78Å; M193-L226 HydrophobicContact CE-CG 4.01Å; M193-L226 HydrophobicContact SD-CD1 4.09Å; M193-L226 HydrophobicContact SD-CD2 3.91Å; I209-L226 HydrophobicContact CD1-CD2 4.17Å; I222-L226 PolarHBondContact O-N 3.25Å; L223-L226 HydrophobicContact CD1-CD2 4.36Å; L223-L226 PolarHBondContact O-N 3.39Å; L226-K228 PolarHBondContact O-N 3.04Å; L226-F229 WeakPolarHBondContact O-CB 3.48Å; L226-F229 PolarHBondContact O-N 3.38Å; L226-L230 HydrophobicContact CD1-CD1 4.18Å; L226-L230 HydrophobicContact CD1-CG 4.09Å; L226-L230 HydrophobicContact CG-CD1 4.1Å; L226-L230 HydrophobicContact CG-CG 4.46Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.31Å; L226-L230 PolarHBondContact O-N 3.35Å
227	L	80.1	Confident	74	Confident	13 Å²	13	36.8 Å²	36.8	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-50.5	177.6	175.3	61.3	0	0	0	110.8	L223 S225 F229 L230 Q231 L315 R318 I322	L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 PolarHBondContact O-N 3.22Å; S225-L227 VanDerWaalsContact C-N 3.34Å; S225-L227 PolarHBondContact O-N 3.29Å; L227-F229 VanDerWaalsContact C-N 3.33Å; L227-F229 PolarHBondContact O-N 3.31Å; L227-L230 PolarHBondContact O-N 3.29Å; L227-Q231 HydrophobicContact CD1-CG 4.16Å; L227-Q231 HydrophobicContact CG-CG 4.46Å; L227-Q231 WeakPolarHBondContact O-CG 3.36Å; L227-Q231 PolarHBondContact O-N 3.23Å; L227-L315 HydrophobicContact CB-CD1 4.42Å; L227-L315 HydrophobicContact CD2-CD1 3.46Å; L227-L315 VanDerWaalsContact CD2-CD1 3.46Å; L227-R318 HydrophobicContact CD2-CB 4.39Å; L227-I322 HydrophobicContact CD1-CD1 3.39Å
228	K	78	Confident	72	Confident	55 Å²	55	37.7 Å²	37.7	24%	0.239	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-42.4	178	-74.1	176.7	176.2	-177.2	0	112.2	D167 R224 S225 L226 Q231 V232	D167-K228 HydrophobicContact CB-CD 3.89Å; D167-K228 IonicContact OD2-NZ 3.91Å; R224-K228 WeakPolarHBondContact O-CG 3.24Å; R224-K228 PolarHBondContact O-N 3.44Å; R224-K228 VanDerWaalsContact O-N 3.12Å; S225-K228 PolarHBondContact O-N 2.88Å; L226-K228 PolarHBondContact O-N 3.04Å; K228-Q231 PolarHBondContact O-N 3.32Å; K228-V232 WeakPolarHBondContact O-CG2 3.14Å; K228-V232 PolarHBondContact O-N 2.94Å
229	F	78.9	Confident	70.1	Confident	3 Å²	3	44.9 Å²	44.9	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-48.6	175.4	174.6	-92.1	0	0	0	111.4	L170 L177 I185 F188 V189 S225 L226 L227 Q231 V232 L233	L170-F229 HydrophobicContact CD1-CB 4.24Å; L177-F229 HydrophobicContact CD1-CD2 3.9Å; L177-F229 HydrophobicContact CD1-CE2 4.16Å; L177-F229 HydrophobicContact CD2-CD2 3.9Å; L177-F229 HydrophobicContact CD2-CE2 3.64Å; I185-F229 HydrophobicContact CG2-CZ 4.49Å; F188-F229 HydrophobicContact CB-CE2 3.89Å; F188-F229 HydrophobicContact CB-CZ 3.99Å; F188-F229 HydrophobicContact CG-CE2 4.44Å; V189-F229 HydrophobicContact CG2-CE1 3.99Å; V189-F229 HydrophobicContact CG2-CZ 3.9Å; S225-F229 WeakPolarHBondContact O-CB 3.39Å; S225-F229 PolarHBondContact O-N 2.9Å; L226-F229 WeakPolarHBondContact O-CB 3.48Å; L226-F229 PolarHBondContact O-N 3.38Å; L227-F229 VanDerWaalsContact C-N 3.33Å; L227-F229 PolarHBondContact O-N 3.31Å; F229-Q231 PolarHBondContact O-N 2.9Å; F229-V232 PolarHBondContact O-N 3.23Å; F229-L233 HydrophobicContact CE1-CD2 3.88Å; F229-L233 HydrophobicContact CZ-CD2 4.29Å; F229-L233 VanDerWaalsContact O-CB 3.26Å; F229-L233 WeakPolarHBondContact O-CB 3.41Å; F229-L233 PolarHBondContact O-N 3.41Å
230	L	77	Confident	67.7	Low	2 Å²	2	52.6 Å²	52.6	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-42	176.8	-69.9	170.8	0	0	0	112	M193 L226 L227 V232 L233 L234 T319 L323	M193-L230 HydrophobicContact CE-CD1 3.82Å; M193-L230 HydrophobicContact CE-CD2 4.01Å; M193-L230 HydrophobicContact CE-CG 4.32Å; L226-L230 HydrophobicContact CD1-CD1 4.18Å; L226-L230 HydrophobicContact CD1-CG 4.09Å; L226-L230 HydrophobicContact CG-CD1 4.1Å; L226-L230 HydrophobicContact CG-CG 4.46Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.31Å; L226-L230 PolarHBondContact O-N 3.35Å; L227-L230 PolarHBondContact O-N 3.29Å; L230-V232 PolarHBondContact O-N 3.01Å; L230-L233 PolarHBondContact O-N 2.91Å; L230-L234 VanDerWaalsContact O-CB 3.27Å; L230-L234 WeakPolarHBondContact O-CB 3.33Å; L230-L234 VanDerWaalsContact O-CG 3.24Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 2.88Å; L230-T319 HydrophobicContact CD1-CG2 4.03Å; L230-L323 HydrophobicContact CD1-CD1 4.33Å; L230-L323 HydrophobicContact CD1-CD2 3.7Å; L230-L323 HydrophobicContact CD1-CG 3.96Å; L230-L323 HydrophobicContact CD2-CD2 3.96Å; L230-L323 HydrophobicContact CG-CD2 4.48Å
231	Q	77.1	Confident	65.4	Low	74 Å²	74	55.7 Å²	55.7	35%	0.346	27%	0.273	S	S	.	.	H	α-helix	trans	-60.3	-46.2	177.6	-69.5	176.9	-33.5	0	0	111.1	L227 K228 F229 F235 I322	L227-Q231 HydrophobicContact CD1-CG 4.16Å; L227-Q231 HydrophobicContact CG-CG 4.46Å; L227-Q231 WeakPolarHBondContact O-CG 3.36Å; L227-Q231 PolarHBondContact O-N 3.23Å; K228-Q231 PolarHBondContact O-N 3.32Å; F229-Q231 PolarHBondContact O-N 2.9Å; Q231-F235 VanDerWaalsContact CA-CE2 3.5Å; Q231-F235 HydrophobicContact CB-CD2 3.86Å; Q231-F235 HydrophobicContact CB-CE2 3.73Å; Q231-F235 HydrophobicContact CG-CD2 4.39Å; Q231-F235 HydrophobicContact CG-CE2 3.78Å; Q231-F235 WeakPolarHBondContact O-CB 3.28Å; Q231-F235 WeakPolarHBondContact O-CD2 3.46Å; Q231-F235 WeakPolarHBondContact O-CG 3.38Å; Q231-F235 PolarHBondContact O-N 3.36Å; Q231-I322 HydrophobicContact CG-CD1 4.18Å
232	V	72.9	Confident	63.1	Low	25 Å²	25	54.2 Å²	54.2	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-73.2	-32.5	179.2	-178	0	0	0	0	112.2	L170 P174 L177 K228 F229 L230	L170-V232 HydrophobicContact CB-CG2 4.37Å; P174-V232 HydrophobicContact CB-CG1 3.82Å; P174-V232 HydrophobicContact CB-CG2 4.42Å; L177-V232 HydrophobicContact CB-CG1 4.34Å; L177-V232 HydrophobicContact CD1-CB 3.73Å; L177-V232 HydrophobicContact CD1-CG1 3.65Å; L177-V232 HydrophobicContact CG-CG1 4.38Å; K228-V232 WeakPolarHBondContact O-CG2 3.14Å; K228-V232 PolarHBondContact O-N 2.94Å; F229-V232 PolarHBondContact O-N 3.23Å; L230-V232 PolarHBondContact O-N 3.01Å
233	L	73.5	Confident	60.8	Low	28 Å²	28	59.7 Å²	59.7	15%	0.147	31%	0.309	C	S	.	.	H	α-helix	trans	-68.8	-41.9	177.6	-177.6	68.3	0	0	0	112.2	I185 F229 L230 I264	I185-L233 HydrophobicContact CG2-CD1 4.37Å; F229-L233 HydrophobicContact CE1-CD2 3.88Å; F229-L233 HydrophobicContact CZ-CD2 4.29Å; F229-L233 VanDerWaalsContact O-CB 3.26Å; F229-L233 WeakPolarHBondContact O-CB 3.41Å; F229-L233 PolarHBondContact O-N 3.41Å; L230-L233 PolarHBondContact O-N 2.91Å; L233-I264 HydrophobicContact CD1-CD1 4.49Å; L233-I264 HydrophobicContact CD2-CG2 4.17Å
234	L	69	Low	58.7	Low	13 Å²	13	62.2 Å²	62.2	7%	0.068	33%	0.326	C	S	.	.	H	α-helix	trans	-86.6	-21.4	-175.1	-62.3	178.1	0	0	0	112.9	L230 I322 Y326	L230-L234 VanDerWaalsContact O-CB 3.27Å; L230-L234 WeakPolarHBondContact O-CB 3.33Å; L230-L234 VanDerWaalsContact O-CG 3.24Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 2.88Å; L234-I322 HydrophobicContact CD1-CG2 3.79Å; L234-Y326 HydrophobicContact CD1-CD2 4.21Å; L234-Y326 HydrophobicContact CD1-CG 4.21Å; L234-Y326 HydrophobicContact CD2-CD2 3.43Å; L234-Y326 VanDerWaalsContact CD2-CD2 3.43Å; L234-Y326 HydrophobicContact CD2-CE2 3.42Å; L234-Y326 VanDerWaalsContact CD2-CE2 3.42Å; L234-Y326 HydrophobicContact CD2-CG 4.04Å; L234-Y326 HydrophobicContact CG-CD2 4.41Å
235	F	62.8	Low	56.9	Low	39 Å²	39	57.9 Å²	57.9	17%	0.171	31%	0.313	C	S	.	.	S	Bend	trans	-112.4	138.4	-173.7	-48.2	-34.9	0	0	0	113.2	Q231 T237 Y249 I322	Q231-F235 VanDerWaalsContact CA-CE2 3.5Å; Q231-F235 HydrophobicContact CB-CD2 3.86Å; Q231-F235 HydrophobicContact CB-CE2 3.73Å; Q231-F235 HydrophobicContact CG-CD2 4.39Å; Q231-F235 HydrophobicContact CG-CE2 3.78Å; Q231-F235 WeakPolarHBondContact O-CB 3.28Å; Q231-F235 WeakPolarHBondContact O-CD2 3.46Å; Q231-F235 WeakPolarHBondContact O-CG 3.38Å; Q231-F235 PolarHBondContact O-N 3.36Å; F235-T237 PolarHBondContact O-N 3.35Å; F235-Y249 HydrophobicContact CD1-CD2 4.06Å; F235-Y249 HydrophobicContact CD1-CG 4.31Å; F235-Y249 HydrophobicContact CE1-CD1 4.25Å; F235-Y249 AromaticContact CE1-CD2 3.03Å; F235-Y249 HydrophobicContact CE1-CD2 3.03Å; F235-Y249 AromaticContact CE1-CE2 3.76Å; F235-Y249 HydrophobicContact CE1-CE2 3.76Å; F235-Y249 AromaticContact CE1-CG 3.26Å; F235-Y249 HydrophobicContact CE1-CG 3.26Å; F235-Y249 HydrophobicContact CE2-CG 4.24Å; F235-Y249 AromaticContact CZ-CD1 3.79Å; F235-Y249 HydrophobicContact CZ-CD1 3.79Å; F235-Y249 AromaticContact CZ-CD2 3.44Å; F235-Y249 HydrophobicContact CZ-CD2 3.44Å; F235-Y249 VanDerWaalsContact CZ-CD2 3.44Å; F235-Y249 HydrophobicContact CZ-CE1 4.49Å; F235-Y249 HydrophobicContact CZ-CE2 4.07Å; F235-Y249 AromaticContact CZ-CG 3.19Å; F235-Y249 HydrophobicContact CZ-CG 3.19Å; F235-I322 HydrophobicContact CZ-CG2 4.46Å
236	H	50.6	Low	55.4	Low	73 Å²	73	59.8 Å²	59.8	34%	0.338	33%	0.326	S	S	.	.			trans	-74.5	117.2	160.5	-75.4	35	0	0	0	108.2	D238 C252 Y254	H236-D238 PolarHBondContact O-N 3.37Å; H236-C252 VanDerWaalsContact CG-SG 3.58Å; H236-C252 PolarHBondContact N-SG 2.89Å; H236-C252 VanDerWaalsContact N-SG 3.44Å; H236-C252 PolarHBondContact ND1-SG 3.09Å; H236-Y254 AromaticContact CE1-CZ 3.75Å
237	T	41	Very low	54	Low	65 Å²	65	60 Å²	60	40%	0.399	33%	0.327	S	S	.	.			trans	-69.7	57.2	168.3	55.4	0	0	0	0	111.4	P174 F235	P174-T237 HydrophobicContact CB-CG2 3.52Å; P174-T237 HydrophobicContact CG-CG2 3.75Å; F235-T237 PolarHBondContact O-N 3.35Å
238	D	35.3	Very low	52.2	Low	114 Å²	114	61.1 Å²	61.1	61%	0.61	34%	0.336	S	S	*	.			trans	-81.4	125.4	155.2	-72.8	-23.2	0	0	0	105.8	H236 Q240 A241	H236-D238 PolarHBondContact O-N 3.37Å; D238-Q240 PolarHBondContact O-N 3.27Å; D238-A241 PolarHBondContact O-N 3.24Å
239	E	35.7	Very low	51	Low	199 Å²	199	59.7 Å²	59.7	93%	0.93	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-10.4	-178.6	-64.6	176.7	153.7	0	0	113.7
240	Q	29.8	Very low	49.1	Very low	177 Å²	177	63 Å²	63	83%	0.827	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	0.5	-178.7	-61.6	-179.2	-3.2	0	0	115.1	D238 A242	D238-Q240 PolarHBondContact O-N 3.27Å; Q240-A242 PolarHBondContact O-N 2.77Å
241	A	31.8	Very low	47.4	Very low	71 Å²	71	65.1 Å²	65.1	59%	0.587	37%	0.368	S	S	*	.			trans	-71.6	54.3	158.2	0	0	0	0	0	109.4	D238 F243	D238-A241 PolarHBondContact O-N 3.24Å; A241-F243 PolarHBondContact O-N 3.12Å
242	A	29.2	Very low	45.6	Very low	81 Å²	81	63.3 Å²	63.3	67%	0.669	36%	0.363	S	S	*	.			trans	-60.9	104.4	178.5	0	0	0	0	0	107.7	Q240 S244	Q240-A242 PolarHBondContact O-N 2.77Å; A242-S244 PolarHBondContact O-N 3.02Å; A242-S244 VanDerWaalsContact O-N 3.13Å
243	F	31.5	Very low	43.9	Very low	119 Å²	119	67.1 Å²	67.1	52%	0.522	39%	0.386	S	S	.	.			trans	35.9	69.1	156.3	-162.3	-97.9	0	0	0	114.3	A241 G245 T427	A241-F243 PolarHBondContact O-N 3.12Å; F243-G245 PolarHBondContact O-N 3.07Å; F243-T427 HydrophobicContact CE1-CG2 4.25Å; F243-T427 HydrophobicContact CZ-CG2 4.02Å
244	S	36.9	Very low	42.6	Very low	52 Å²	52	70.3 Å²	70.3	36%	0.364	40%	0.397	S	S	.	.			trans	-77.4	58.6	161.3	53.6	0	0	0	0	108.6	A242 S248 Y249	A242-S244 PolarHBondContact O-N 3.02Å; A242-S244 VanDerWaalsContact O-N 3.13Å; S244-S248 CarbonylContact O-C 3.42Å; S244-S248 VanDerWaalsContact O-C 3.27Å; S244-S248 WeakPolarHBondContact O-CA 3.39Å; S244-S248 WeakPolarHBondContact O-CB 3.2Å; S244-S248 PolarHBondContact O-N 2.84Å; S244-S248 VanDerWaalsContact OG-C 3.3Å; S244-S248 PolarHBondContact OG-O 2.94Å; S244-Y249 WeakPolarHBondContact OG-CA 3.32Å; S244-Y249 PolarHBondContact OG-N 3.09Å
245	G	43.4	Very low	41.1	Very low	11 Å²	11	75.4 Å²	75.4	11%	0.113	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	172	-176.2	0	0	0	0	0	115.3	F243 F247	F243-G245 PolarHBondContact O-N 3.07Å; G245-F247 PolarHBondContact O-N 3.38Å
246	P	49.7	Very low	39.8	Very low	41 Å²	41	80.8 Å²	80.8	27%	0.266	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.6	172.8	27.1	-38.5	0	0	0	114.9	T431	P246-T431 HydrophobicContact CG-CG2 3.01Å
247	F	49.3	Very low	39.5	Very low	5 Å²	5	81.6 Å²	81.6	2%	0.022	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-19.1	-177.4	-50.5	-62	0	0	0	114.4	G245 R318 V386 A387 Y390 T431	G245-F247 PolarHBondContact O-N 3.38Å; F247-R318 HydrophobicContact CD1-CG 4.09Å; F247-R318 HydrophobicContact CE1-CG 3.79Å; F247-V386 HydrophobicContact CD2-CG1 4.43Å; F247-V386 HydrophobicContact CE2-CB 4.35Å; F247-V386 HydrophobicContact CE2-CG1 3.92Å; F247-A387 HydrophobicContact CD1-CB 4.3Å; F247-A387 HydrophobicContact CE1-CB 3.36Å; F247-A387 HydrophobicContact CE2-CB 4.36Å; F247-A387 HydrophobicContact CZ-CB 3.41Å; F247-A387 VanDerWaalsContact CZ-CB 3.41Å; F247-Y390 HydrophobicContact CB-CD1 4.39Å; F247-Y390 HydrophobicContact CB-CD2 3.91Å; F247-Y390 HydrophobicContact CB-CE1 4.5Å; F247-Y390 HydrophobicContact CB-CE2 4.03Å; F247-Y390 HydrophobicContact CB-CG 4.1Å; F247-Y390 PolarHBondContact O-OH 3.32Å; F247-T431 HydrophobicContact CD2-CG2 3.82Å; F247-T431 HydrophobicContact CE2-CG2 3.72Å
248	S	43.7	Very low	39.4	Very low	37 Å²	37	85.2 Å²	85.2	26%	0.259	48%	0.478	S	S	.	.			trans	-94.5	155.7	172.9	-122.1	0	0	0	0	110	S244 Q434	S244-S248 CarbonylContact O-C 3.42Å; S244-S248 VanDerWaalsContact O-C 3.27Å; S244-S248 WeakPolarHBondContact O-CA 3.39Å; S244-S248 WeakPolarHBondContact O-CB 3.2Å; S244-S248 PolarHBondContact O-N 2.84Å; S244-S248 VanDerWaalsContact OG-C 3.3Å; S244-S248 PolarHBondContact OG-O 2.94Å; S248-Q434 PolarHBondContact OG-NE2 3.42Å
249	Y	51.7	Low	39.7	Very low	24 Å²	24	87.7 Å²	87.7	9%	0.094	49%	0.492	C	S	.	.			trans	-156.5	156.4	171.9	47.7	-89.9	0	0	0	108	F235 S244 I251 I322 D325 Y326	F235-Y249 HydrophobicContact CD1-CD2 4.06Å; F235-Y249 HydrophobicContact CD1-CG 4.31Å; F235-Y249 HydrophobicContact CE1-CD1 4.25Å; F235-Y249 AromaticContact CE1-CD2 3.03Å; F235-Y249 HydrophobicContact CE1-CD2 3.03Å; F235-Y249 AromaticContact CE1-CE2 3.76Å; F235-Y249 HydrophobicContact CE1-CE2 3.76Å; F235-Y249 AromaticContact CE1-CG 3.26Å; F235-Y249 HydrophobicContact CE1-CG 3.26Å; F235-Y249 HydrophobicContact CE2-CG 4.24Å; F235-Y249 AromaticContact CZ-CD1 3.79Å; F235-Y249 HydrophobicContact CZ-CD1 3.79Å; F235-Y249 AromaticContact CZ-CD2 3.44Å; F235-Y249 HydrophobicContact CZ-CD2 3.44Å; F235-Y249 VanDerWaalsContact CZ-CD2 3.44Å; F235-Y249 HydrophobicContact CZ-CE1 4.49Å; F235-Y249 HydrophobicContact CZ-CE2 4.07Å; F235-Y249 AromaticContact CZ-CG 3.19Å; F235-Y249 HydrophobicContact CZ-CG 3.19Å; S244-Y249 WeakPolarHBondContact OG-CA 3.32Å; S244-Y249 PolarHBondContact OG-N 3.09Å; Y249-I251 HydrophobicContact CD2-CD1 4.47Å; Y249-I251 HydrophobicContact CD2-CG1 3.66Å; Y249-I251 HydrophobicContact CE2-CD1 3.84Å; Y249-I251 HydrophobicContact CE2-CG1 3.4Å; Y249-I251 VanDerWaalsContact CE2-CG1 3.4Å; Y249-I322 HydrophobicContact CD1-CG1 3.93Å; Y249-I322 HydrophobicContact CE1-CB 4.02Å; Y249-I322 HydrophobicContact CE1-CG1 3.53Å; Y249-I322 HydrophobicContact CE1-CG2 4.23Å; Y249-I322 VanDerWaalsContact OH-CA 3.3Å; Y249-I322 WeakPolarHBondContact OH-CA 3.36Å; Y249-I322 PolarHBondContact OH-O 2.92Å; Y249-D325 HydrophobicContact CE1-CB 4.38Å; Y249-D325 VanDerWaalsContact CZ-OD2 3.26Å; Y249-D325 WeakPolarHBondContact OH-CB 3.48Å; Y249-D325 PolarHBondContact OH-OD2 3.24Å; Y249-Y326 PolarHBondContact OH-N 2.63Å
250	A	38.5	Very low	40.3	Very low	73 Å²	73	85.5 Å²	85.5	60%	0.603	49%	0.486	S	S	*	.			trans	-85.6	121.5	170	0	0	0	0	0	108.3
251	I	41.9	Very low	41.4	Very low	47 Å²	47	80.1 Å²	80.1	24%	0.241	46%	0.461	C	S	.	.			trans	-80.2	124.9	178	-63.4	169.2	0	0	0	108.5	Y249 T253 Y326 S329	Y249-I251 HydrophobicContact CD2-CD1 4.47Å; Y249-I251 HydrophobicContact CD2-CG1 3.66Å; Y249-I251 HydrophobicContact CE2-CD1 3.84Å; Y249-I251 HydrophobicContact CE2-CG1 3.4Å; Y249-I251 VanDerWaalsContact CE2-CG1 3.4Å; I251-T253 PolarHBondContact O-N 3.15Å; I251-Y326 HydrophobicContact CG2-CD2 4.46Å; I251-S329 WeakPolarHBondContact CD1-OG 3.26Å
252	C	39.7	Very low	42.4	Very low	35 Å²	35	81 Å²	81	24%	0.236	45%	0.452	C	S	.	.			trans	-80.3	111.1	172.6	-65.2	0	0	0	0	110.3	H236 Y254	H236-C252 VanDerWaalsContact CG-SG 3.58Å; H236-C252 PolarHBondContact N-SG 2.89Å; H236-C252 VanDerWaalsContact N-SG 3.44Å; H236-C252 PolarHBondContact ND1-SG 3.09Å; C252-Y254 HydrophobicContact CB-CE2 4.45Å; C252-Y254 PolarHBondContact O-N 3.25Å; C252-Y254 VanDerWaalsContact O-N 3.15Å
253	T	37.9	Very low	44	Very low	106 Å²	106	80 Å²	80	65%	0.65	44%	0.436	S	S	*	.			trans	-75.1	95	165.8	50.6	0	0	0	0	108.7	I251 D255	I251-T253 PolarHBondContact O-N 3.15Å; T253-D255 PolarHBondContact O-N 2.94Å
254	Y	44.2	Very low	45.5	Very low	94 Å²	94	76.6 Å²	76.6	37%	0.369	42%	0.422	S	S	.	.			trans	-67	79.4	167.1	-78.6	-85.2	0	0	0	110.2	H236 C252 N256 L257 R265	H236-Y254 AromaticContact CE1-CZ 3.75Å; C252-Y254 HydrophobicContact CB-CE2 4.45Å; C252-Y254 PolarHBondContact O-N 3.25Å; C252-Y254 VanDerWaalsContact O-N 3.15Å; Y254-N256 VanDerWaalsContact C-N 3.29Å; Y254-L257 HydrophobicContact CD1-CD1 3.74Å; Y254-L257 HydrophobicContact CD1-CG 4.31Å; Y254-L257 HydrophobicContact CE1-CD1 4.3Å; Y254-L257 HydrophobicContact CG-CD1 4.27Å; Y254-R265 VanDerWaalsContact C-NH2 3.27Å; Y254-R265 PolarHBondContact O-NH2 3.45Å
255	D	38.5	Very low	46.8	Very low	120 Å²	120	77.9 Å²	77.9	64%	0.642	42%	0.419	S	S	*	.			trans	-85.8	2.9	177.9	-77.6	-8.3	0	0	0	113.8	T253 R265	T253-D255 PolarHBondContact O-N 2.94Å; D255-R265 IonicContact OD1-NH2 2.91Å
256	N	36.1	Very low	47.9	Very low	152 Å²	152	80.5 Å²	80.5	81%	0.813	43%	0.433	S	S	*	.			trans	-135	62.6	-177.2	-69	-30.9	0	0	0	113.2	Y254	Y254-N256 VanDerWaalsContact C-N 3.29Å
257	L	42.9	Very low	48.8	Very low	90 Å²	90	79.3 Å²	79.3	47%	0.471	42%	0.423	S	S	.	.			trans	-122.6	124.2	161.6	-69.7	167.5	0	0	0	109.4	Y254 E261	Y254-L257 HydrophobicContact CD1-CD1 3.74Å; Y254-L257 HydrophobicContact CD1-CG 4.31Å; Y254-L257 HydrophobicContact CE1-CD1 4.3Å; Y254-L257 HydrophobicContact CG-CD1 4.27Å; L257-E261 WeakPolarHBondContact CB-OE2 3.14Å; L257-E261 WeakPolarHBondContact CD1-OE2 3.16Å
258	D	39	Very low	49.9	Very low	141 Å²	141	79.1 Å²	79.1	75%	0.754	42%	0.423	S	S	*	.			trans	-58.6	147.9	-172.8	-68.2	-53.1	0	0	0	114.1	D260	D258-D260 VanDerWaalsContact C-N 3.27Å; D258-D260 PolarHBondContact O-N 2.94Å
259	N	43.1	Very low	51.2	Low	167 Å²	167	79.5 Å²	79.5	89%	0.893	42%	0.421	S	S	*	.	S	Bend	trans	-56.1	21.9	-166.1	-73.8	-51.3	0	0	0	120.3
260	D	47.3	Very low	52.2	Low	153 Å²	153	83.3 Å²	83.3	82%	0.818	44%	0.44	S	S	*	.			trans	-125.6	31.3	-179.8	-72.5	-38	0	0	0	113.6	R182 D258	R182-D260 PolarHBondContact NH1-O 3.18Å; D258-D260 VanDerWaalsContact C-N 3.27Å; D258-D260 PolarHBondContact O-N 2.94Å
261	E	52.6	Low	53.9	Low	64 Å²	64	79.9 Å²	79.9	30%	0.299	41%	0.411	S	S	.	.			trans	-104.4	130.6	-165	-156.6	156.1	-125	0	0	111.5	R182 L257 D263	R182-E261 IonicContact CZ-OE1 2.82Å; R182-E261 IonicContact NE-OE1 3.48Å; R182-E261 PolarHBondContact NE-OE1 3.47Å; R182-E261 VanDerWaalsContact NH2-CD 3.34Å; R182-E261 IonicContact NH2-OE1 2.65Å; R182-E261 PolarHBondContact NH2-OE1 3.1Å; L257-E261 WeakPolarHBondContact CB-OE2 3.14Å; L257-E261 WeakPolarHBondContact CD1-OE2 3.16Å; E261-D263 PolarHBondContact O-N 3.12Å
262	F	54.4	Low	55.7	Low	88 Å²	88	77.6 Å²	77.6	39%	0.386	40%	0.4	S	S	.	.			trans	-55.9	97.7	162.4	172.7	-94.5	0	0	0	105.7	I264 F267	F262-I264 VanDerWaalsContact C-N 3.34Å; F262-I264 HydrophobicContact CD1-CG1 4.48Å; F262-I264 PolarHBondContact O-N 2.9Å; F262-F267 HydrophobicContact CE1-CB 3.94Å; F262-F267 HydrophobicContact CE1-CD2 4.22Å; F262-F267 HydrophobicContact CE1-CG 4.06Å; F262-F267 HydrophobicContact CE2-CD2 4.27Å; F262-F267 HydrophobicContact CZ-CB 3.91Å; F262-F267 AromaticContact CZ-CD2 3.46Å; F262-F267 HydrophobicContact CZ-CD2 3.46Å; F262-F267 VanDerWaalsContact CZ-CD2 3.46Å; F262-F267 HydrophobicContact CZ-CE2 4.2Å; F262-F267 AromaticContact CZ-CG 3.77Å; F262-F267 HydrophobicContact CZ-CG 3.77Å
263	D	61	Low	57.6	Low	62 Å²	62	77.2 Å²	77.2	33%	0.332	40%	0.397	S	S	.	.			trans	-70.3	100.6	-166.7	179.5	19.3	0	0	0	107.4	E261 R265 T266 F267	E261-D263 PolarHBondContact O-N 3.12Å; D263-R265 PolarHBondContact O-N 3.16Å; D263-R265 WeakPolarHBondContact OD1-CB 3.23Å; D263-R265 VanDerWaalsContact OD1-CG 3.23Å; D263-R265 WeakPolarHBondContact OD1-CG 3.39Å; D263-R265 PolarHBondContact OD1-N 2.88Å; D263-T266 WeakPolarHBondContact CB-OG1 3.25Å; D263-T266 WeakPolarHBondContact O-CA 3.35Å; D263-T266 WeakPolarHBondContact O-CB 3.47Å; D263-T266 PolarHBondContact O-N 3.27Å; D263-T266 PolarHBondContact OD2-N 3.42Å; D263-T266 VanDerWaalsContact OD2-N 3.14Å; D263-T266 PolarHBondContact OD2-OG1 2.82Å; D263-F267 PolarHBondContact O-N 2.89Å
264	I	63.5	Low	59.6	Low	46 Å²	46	73.9 Å²	73.9	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-51.4	-31.3	175.2	-64.7	168.6	0	0	0	108.8	I185 L233 F262 L268	I185-I264 HydrophobicContact CG2-CD1 3.76Å; L233-I264 HydrophobicContact CD1-CD1 4.49Å; L233-I264 HydrophobicContact CD2-CG2 4.17Å; F262-I264 VanDerWaalsContact C-N 3.34Å; F262-I264 HydrophobicContact CD1-CG1 4.48Å; F262-I264 PolarHBondContact O-N 2.9Å; I264-L268 HydrophobicContact CG2-CD1 3.86Å; I264-L268 HydrophobicContact CG2-CG 4.24Å; I264-L268 VanDerWaalsContact O-CB 3.31Å; I264-L268 WeakPolarHBondContact O-CB 3.45Å; I264-L268 WeakPolarHBondContact O-CG 3.36Å; I264-L268 PolarHBondContact O-N 3.03Å
265	R	65.3	Low	61.3	Low	79 Å²	79	69.5 Å²	69.5	30%	0.298	36%	0.363	S	S	.	.	H	α-helix	trans	-64.8	-51.4	173.5	-50.9	171.7	168.5	-169.8	-5.7	110.6	Y254 D255 D263 F267 L268 M269	Y254-R265 VanDerWaalsContact C-NH2 3.27Å; Y254-R265 PolarHBondContact O-NH2 3.45Å; D255-R265 IonicContact OD1-NH2 2.91Å; D263-R265 PolarHBondContact O-N 3.16Å; D263-R265 WeakPolarHBondContact OD1-CB 3.23Å; D263-R265 VanDerWaalsContact OD1-CG 3.23Å; D263-R265 WeakPolarHBondContact OD1-CG 3.39Å; D263-R265 PolarHBondContact OD1-N 2.88Å; R265-F267 VanDerWaalsContact C-N 3.31Å; R265-F267 PolarHBondContact O-N 2.99Å; R265-L268 PolarHBondContact O-N 3.42Å; R265-M269 VanDerWaalsContact O-CB 3.24Å; R265-M269 WeakPolarHBondContact O-CB 3.48Å; R265-M269 WeakPolarHBondContact O-CG 3.39Å; R265-M269 PolarHBondContact O-N 2.86Å
266	T	66.7	Low	63.5	Low	67 Å²	67	63.9 Å²	63.9	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-56.3	-44.8	176	-58	0	0	0	0	111.4	D263 M269 E270	D263-T266 WeakPolarHBondContact CB-OG1 3.25Å; D263-T266 WeakPolarHBondContact O-CA 3.35Å; D263-T266 WeakPolarHBondContact O-CB 3.47Å; D263-T266 PolarHBondContact O-N 3.27Å; D263-T266 PolarHBondContact OD2-N 3.42Å; D263-T266 VanDerWaalsContact OD2-N 3.14Å; D263-T266 PolarHBondContact OD2-OG1 2.82Å; T266-M269 WeakPolarHBondContact O-CB 3.47Å; T266-M269 PolarHBondContact O-N 3.18Å; T266-E270 WeakPolarHBondContact O-CG 3.39Å; T266-E270 PolarHBondContact O-N 3.03Å
267	F	68.1	Low	65.9	Low	15 Å²	15	60.2 Å²	60.2	7%	0.066	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-44.8	178.2	-173.4	-87.3	0	0	0	113.2	V189 Q190 M193 C195 F262 D263 R265 M269 E270 S271	V189-F267 HydrophobicContact CB-CD1 4.12Å; V189-F267 HydrophobicContact CB-CE1 4.15Å; V189-F267 HydrophobicContact CG1-CD1 3.27Å; V189-F267 HydrophobicContact CG1-CE1 3.47Å; V189-F267 VanDerWaalsContact CG1-CE1 3.47Å; V189-F267 HydrophobicContact CG1-CG 4.42Å; Q190-F267 HydrophobicContact CB-CZ 4.12Å; Q190-F267 HydrophobicContact CG-CD2 4.46Å; Q190-F267 HydrophobicContact CG-CE1 4.4Å; Q190-F267 HydrophobicContact CG-CE2 3.56Å; Q190-F267 HydrophobicContact CG-CZ 3.53Å; M193-F267 HydrophobicContact CB-CE1 4.19Å; M193-F267 WeakPolarHBondContact O-CE1 3.31Å; M193-F267 WeakPolarHBondContact O-CZ 2.97Å; C195-F267 HydrophobicContact CB-CD2 4.39Å; C195-F267 HydrophobicContact CB-CE2 3.7Å; C195-F267 HydrophobicContact CB-CZ 4.03Å; C195-F267 VanDerWaalsContact SG-CD2 3.52Å; C195-F267 WeakPolarHBondContact SG-CE2 3.43Å; C195-F267 VanDerWaalsContact SG-CZ 3.56Å; C195-F267 PolarHBondContact SG-O 3.06Å; F262-F267 HydrophobicContact CE1-CB 3.94Å; F262-F267 HydrophobicContact CE1-CD2 4.22Å; F262-F267 HydrophobicContact CE1-CG 4.06Å; F262-F267 HydrophobicContact CE2-CD2 4.27Å; F262-F267 HydrophobicContact CZ-CB 3.91Å; F262-F267 AromaticContact CZ-CD2 3.46Å; F262-F267 HydrophobicContact CZ-CD2 3.46Å; F262-F267 VanDerWaalsContact CZ-CD2 3.46Å; F262-F267 HydrophobicContact CZ-CE2 4.2Å; F262-F267 AromaticContact CZ-CG 3.77Å; F262-F267 HydrophobicContact CZ-CG 3.77Å; D263-F267 PolarHBondContact O-N 2.89Å; R265-F267 VanDerWaalsContact C-N 3.31Å; R265-F267 PolarHBondContact O-N 2.99Å; F267-M269 VanDerWaalsContact C-N 3.29Å; F267-M269 PolarHBondContact O-N 3.41Å; F267-E270 PolarHBondContact O-N 3.16Å; F267-S271 WeakPolarHBondContact O-CB 3.41Å; F267-S271 PolarHBondContact O-N 3.16Å; F267-S271 PolarHBondContact O-OG 3.16Å
268	L	72.3	Confident	67.8	Low	2 Å²	2	56.2 Å²	56.2	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-37	175.3	-73.7	172.9	0	0	0	111.3	V189 M193 I264 R265 G272 Y326 Y327	V189-L268 HydrophobicContact CG1-CD2 3.97Å; V189-L268 HydrophobicContact CG1-CG 4.42Å; M193-L268 HydrophobicContact CG-CD2 4.48Å; I264-L268 HydrophobicContact CG2-CD1 3.86Å; I264-L268 HydrophobicContact CG2-CG 4.24Å; I264-L268 VanDerWaalsContact O-CB 3.31Å; I264-L268 WeakPolarHBondContact O-CB 3.45Å; I264-L268 WeakPolarHBondContact O-CG 3.36Å; I264-L268 PolarHBondContact O-N 3.03Å; R265-L268 PolarHBondContact O-N 3.42Å; L268-G272 VanDerWaalsContact O-CA 3.25Å; L268-G272 WeakPolarHBondContact O-CA 3.39Å; L268-G272 PolarHBondContact O-N 3.06Å; L268-Y326 HydrophobicContact CB-CE1 4.16Å; L268-Y326 HydrophobicContact CD1-CD1 4.45Å; L268-Y326 HydrophobicContact CD1-CE1 3.62Å; L268-Y327 HydrophobicContact CB-CE1 4.38Å; L268-Y327 WeakPolarHBondContact O-CE1 3.38Å; L268-Y327 PolarHBondContact O-OH 3.32Å; L268-Y327 VanDerWaalsContact O-OH 3.05Å
269	M	71.6	Confident	70.1	Confident	45 Å²	45	49.5 Å²	49.5	22%	0.222	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-41.5	175.3	-76.4	-71	-59.9	0	0	112.6	R265 T266 F267 Y327 L330 M332 A336	R265-M269 VanDerWaalsContact O-CB 3.24Å; R265-M269 WeakPolarHBondContact O-CB 3.48Å; R265-M269 WeakPolarHBondContact O-CG 3.39Å; R265-M269 PolarHBondContact O-N 2.86Å; T266-M269 WeakPolarHBondContact O-CB 3.47Å; T266-M269 PolarHBondContact O-N 3.18Å; F267-M269 VanDerWaalsContact C-N 3.29Å; F267-M269 PolarHBondContact O-N 3.41Å; M269-Y327 HydrophobicContact SD-CD1 4.31Å; M269-L330 HydrophobicContact CG-CD1 4.21Å; M269-L330 HydrophobicContact SD-CD1 3.83Å; M269-M332 HydrophobicContact CE-CE 3.72Å; M269-M332 HydrophobicContact CE-CG 4.26Å; M269-M332 HydrophobicContact CE-SD 3.34Å; M269-M332 WeakPolarHBondContact CE-SD 3.35Å; M269-M332 HydrophobicContact SD-CE 3.1Å; M269-M332 WeakPolarHBondContact SD-CE 3.47Å; M269-M332 HydrophobicContact SD-SD 3.65Å; M269-M332 VanDerWaalsContact SD-SD 3.65Å; M269-A336 HydrophobicContact CE-CB 4.07Å
270	E	71.7	Confident	72.1	Confident	103 Å²	103	41.8 Å²	41.8	48%	0.481	22%	0.215	S	C	.	.	H	α-helix	trans	-73	-44.3	179.3	-74.4	177.3	175	0	0	112.7	C195 T266 F267	C195-E270 VanDerWaalsContact SG-CB 3.6Å; T266-E270 WeakPolarHBondContact O-CG 3.39Å; T266-E270 PolarHBondContact O-N 3.03Å; F267-E270 PolarHBondContact O-N 3.16Å
271	S	73.3	Confident	73.9	Confident	1 Å²	1	37 Å²	37	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-78.3	-20.7	179.6	54	0	0	0	0	113.6	M193 C195 F267 A274 V275	M193-S271 VanDerWaalsContact O-CB 3.28Å; M193-S271 WeakPolarHBondContact O-CB 3.39Å; C195-S271 WeakPolarHBondContact SG-CB 3.16Å; C195-S271 PolarHBondContact SG-N 3.44Å; C195-S271 VanDerWaalsContact SG-N 3.41Å; F267-S271 WeakPolarHBondContact O-CB 3.41Å; F267-S271 PolarHBondContact O-N 3.16Å; F267-S271 PolarHBondContact O-OG 3.16Å; S271-A274 WeakPolarHBondContact O-CB 3.45Å; S271-A274 PolarHBondContact O-N 3Å; S271-V275 WeakPolarHBondContact O-CG2 3.22Å; S271-V275 PolarHBondContact O-N 3.5Å
272	G	80.2	Confident	75.4	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-50.9	-52.1	-169.4	0	0	0	0	0	115.3	L268 A274 V275 L276 Y327	L268-G272 VanDerWaalsContact O-CA 3.25Å; L268-G272 WeakPolarHBondContact O-CA 3.39Å; L268-G272 PolarHBondContact O-N 3.06Å; G272-A274 VanDerWaalsContact C-N 3.31Å; G272-A274 PolarHBondContact O-N 2.69Å; G272-V275 PolarHBondContact O-N 3.01Å; G272-L276 WeakPolarHBondContact O-CB 3.37Å; G272-L276 VanDerWaalsContact O-CG 3.3Å; G272-L276 WeakPolarHBondContact O-CG 3.45Å; G272-L276 PolarHBondContact O-N 3.19Å; G272-Y327 WeakPolarHBondContact CA-OH 3.34Å
273	P	80.8	Confident	76.9	Confident	27 Å²	27	29.9 Å²	29.9	18%	0.175	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-35.8	178.5	-24.6	34.5	0	0	0	113.8	N277 R339 F340 L343	P273-N277 WeakPolarHBondContact O-CB 3.35Å; P273-N277 PolarHBondContact O-N 3.42Å; P273-R339 HydrophobicContact CG-CB 4.26Å; P273-F340 HydrophobicContact CG-CD1 4.23Å; P273-F340 HydrophobicContact CG-CE1 3.83Å; P273-F340 HydrophobicContact CG-CZ 4.01Å; P273-L343 WeakPolarHBondContact O-CD2 3.39Å
274	A	79.2	Confident	78	Confident	36 Å²	36	28.9 Å²	28.9	30%	0.298	16%	0.155	S	C	.	.	H	α-helix	trans	-69.1	-46.3	178.9	0	0	0	0	0	110.8	S271 G272 N277 C278	S271-A274 WeakPolarHBondContact O-CB 3.45Å; S271-A274 PolarHBondContact O-N 3Å; G272-A274 VanDerWaalsContact C-N 3.31Å; G272-A274 PolarHBondContact O-N 2.69Å; A274-N277 WeakPolarHBondContact O-CB 3.47Å; A274-N277 PolarHBondContact O-N 3.37Å; A274-C278 PolarHBondContact O-N 2.86Å; A274-C278 VanDerWaalsContact O-N 3.07Å; A274-C278 PolarHBondContact O-SG 3.45Å
275	V	80.8	Confident	78.9	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-49	177	173.9	0	0	0	0	111.2	M193 L207 S271 G272 N277 C278 L279 L323	M193-V275 HydrophobicContact CB-CG2 3.67Å; M193-V275 HydrophobicContact CE-CG1 3.74Å; M193-V275 HydrophobicContact CG-CG2 4.02Å; M193-V275 HydrophobicContact SD-CB 4Å; M193-V275 HydrophobicContact SD-CG1 3.35Å; M193-V275 WeakPolarHBondContact SD-CG1 3.34Å; M193-V275 HydrophobicContact SD-CG2 3.38Å; M193-V275 WeakPolarHBondContact SD-CG2 3.36Å; L207-V275 HydrophobicContact CD2-CG2 4.33Å; S271-V275 WeakPolarHBondContact O-CG2 3.22Å; S271-V275 PolarHBondContact O-N 3.5Å; G272-V275 PolarHBondContact O-N 3.01Å; V275-N277 VanDerWaalsContact C-N 3.27Å; V275-N277 PolarHBondContact O-N 3.17Å; V275-C278 PolarHBondContact O-N 3.26Å; V275-C278 VanDerWaalsContact O-N 3.14Å; V275-L279 HydrophobicContact CG1-CD1 3.96Å; V275-L279 HydrophobicContact CG1-CG 4.38Å; V275-L279 WeakPolarHBondContact O-CG 3.27Å; V275-L279 PolarHBondContact O-N 3.2Å; V275-L323 HydrophobicContact CG1-CD1 3.7Å
276	L	84.8	Confident	79.6	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-40.2	178.5	-70.2	-178.9	0	0	0	111.1	G272 C278 L280 L320 L323 I324 Y327 F340 L343	G272-L276 WeakPolarHBondContact O-CB 3.37Å; G272-L276 VanDerWaalsContact O-CG 3.3Å; G272-L276 WeakPolarHBondContact O-CG 3.45Å; G272-L276 PolarHBondContact O-N 3.19Å; L276-C278 VanDerWaalsContact C-N 3.31Å; L276-C278 PolarHBondContact O-N 3.47Å; L276-L280 VanDerWaalsContact O-CB 3.31Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.4Å; L276-L320 HydrophobicContact CD2-CD2 3.62Å; L276-L323 HydrophobicContact CD2-CB 4.01Å; L276-L323 HydrophobicContact CD2-CD1 4.35Å; L276-I324 HydrophobicContact CD1-CG1 4.14Å; L276-I324 HydrophobicContact CD2-CD1 4.43Å; L276-I324 HydrophobicContact CD2-CG1 3.93Å; L276-Y327 HydrophobicContact CD1-CD2 4.28Å; L276-Y327 HydrophobicContact CD1-CE2 4.22Å; L276-Y327 HydrophobicContact CG-CE2 4.38Å; L276-F340 HydrophobicContact CD1-CD1 3.72Å; L276-F340 HydrophobicContact CD1-CE1 3.61Å; L276-L343 HydrophobicContact CB-CD2 3.47Å; L276-L343 VanDerWaalsContact CB-CD2 3.47Å; L276-L343 HydrophobicContact CD1-CD2 4.34Å
277	N	85.1	Confident	80.2	Confident	75 Å²	75	24.3 Å²	24.3	40%	0.401	13%	0.132	S	C	.	.	H	α-helix	trans	-61.2	-40.3	176.2	-173.3	58.6	0	0	0	112.6	P273 A274 V275 L280 S281 L343	P273-N277 WeakPolarHBondContact O-CB 3.35Å; P273-N277 PolarHBondContact O-N 3.42Å; A274-N277 WeakPolarHBondContact O-CB 3.47Å; A274-N277 PolarHBondContact O-N 3.37Å; V275-N277 VanDerWaalsContact C-N 3.27Å; V275-N277 PolarHBondContact O-N 3.17Å; N277-L280 PolarHBondContact O-N 3.49Å; N277-S281 VanDerWaalsContact O-CB 3.31Å; N277-S281 WeakPolarHBondContact O-CB 3.31Å; N277-S281 PolarHBondContact O-N 2.87Å; N277-S281 PolarHBondContact O-OG 3.04Å; N277-L343 HydrophobicContact CB-CD1 3.49Å; N277-L343 VanDerWaalsContact CB-CD1 3.49Å; N277-L343 HydrophobicContact CB-CD2 4.45Å; N277-L343 WeakPolarHBondContact OD1-CD1 3.39Å
278	C	83.2	Confident	80.4	Confident	6 Å²	6	27 Å²	27	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-76.7	-37.1	-177	-62.9	0	0	0	0	111.9	L207 D210 A274 V275 L276 S281 F282	L207-C278 HydrophobicContact CD1-CB 3.6Å; L207-C278 WeakPolarHBondContact CD1-SG 3.15Å; D210-C278 WeakPolarHBondContact OD1-CB 3.34Å; D210-C278 PolarHBondContact OD1-SG 3.36Å; D210-C278 VanDerWaalsContact OD1-SG 3.41Å; D210-C278 PolarHBondContact OD2-SG 2.9Å; A274-C278 PolarHBondContact O-N 2.86Å; A274-C278 VanDerWaalsContact O-N 3.07Å; A274-C278 PolarHBondContact O-SG 3.45Å; V275-C278 PolarHBondContact O-N 3.26Å; V275-C278 VanDerWaalsContact O-N 3.14Å; L276-C278 VanDerWaalsContact C-N 3.31Å; L276-C278 PolarHBondContact O-N 3.47Å; C278-S281 PolarHBondContact O-N 2.95Å; C278-F282 WeakPolarHBondContact O-CB 3.35Å; C278-F282 PolarHBondContact O-N 3.39Å
279	L	86.3	Confident	79.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-41.7	169.2	-70.2	175.9	0	0	0	112	I209 L223 V275 F282 W283 I316 T319 L320 L323	I209-L279 HydrophobicContact CD1-CD2 3.79Å; L223-L279 HydrophobicContact CD1-CD2 3.47Å; L223-L279 VanDerWaalsContact CD1-CD2 3.47Å; V275-L279 HydrophobicContact CG1-CD1 3.96Å; V275-L279 HydrophobicContact CG1-CG 4.38Å; V275-L279 WeakPolarHBondContact O-CG 3.27Å; V275-L279 PolarHBondContact O-N 3.2Å; L279-F282 PolarHBondContact O-N 3.42Å; L279-W283 WeakPolarHBondContact O-CB 3.42Å; L279-W283 PolarHBondContact O-N 2.86Å; L279-I316 HydrophobicContact CB-CG2 4.47Å; L279-I316 WeakPolarHBondContact O-CG2 3.46Å; L279-T319 HydrophobicContact CD1-CG2 3.98Å; L279-L320 HydrophobicContact CB-CD1 4.39Å; L279-L320 HydrophobicContact CB-CD2 3.47Å; L279-L320 VanDerWaalsContact CB-CD2 3.47Å; L279-L320 HydrophobicContact CB-CG 3.83Å; L279-L320 HydrophobicContact CD1-CD2 3.87Å; L279-L320 HydrophobicContact CD1-CG 4.16Å; L279-L320 HydrophobicContact CG-CD2 4.34Å; L279-L323 HydrophobicContact CD1-CD1 3.68Å
280	L	86.6	Confident	78.7	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-43.5	173.9	-76.3	169.4	0	0	0	111.6	L276 N277 F282 W283 F284 L320 L343 L344 F391	L276-L280 VanDerWaalsContact O-CB 3.31Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.4Å; N277-L280 PolarHBondContact O-N 3.49Å; L280-F282 VanDerWaalsContact C-N 3.3Å; L280-F282 PolarHBondContact O-N 2.85Å; L280-W283 WeakPolarHBondContact O-CB 3.46Å; L280-W283 PolarHBondContact O-N 3.26Å; L280-F284 HydrophobicContact CB-CD2 4.46Å; L280-F284 HydrophobicContact CB-CE2 4.31Å; L280-F284 WeakPolarHBondContact O-CB 3.14Å; L280-F284 WeakPolarHBondContact O-CD2 3.27Å; L280-F284 WeakPolarHBondContact O-CG 3.32Å; L280-F284 PolarHBondContact O-N 2.65Å; L280-L320 HydrophobicContact CD2-CD1 4.05Å; L280-L320 HydrophobicContact CG-CD1 4.46Å; L280-L320 HydrophobicContact CG-CD2 4.33Å; L280-L343 HydrophobicContact CD1-CD2 4.41Å; L280-L343 HydrophobicContact CD1-CG 4.3Å; L280-L344 HydrophobicContact CD1-CD2 3.77Å; L280-F391 HydrophobicContact CD2-CE2 4.44Å; L280-F391 HydrophobicContact CD2-CZ 3.93Å
281	S	84.1	Confident	77.4	Confident	52 Å²	52	33 Å²	33	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-61	-41.9	176.3	-61.1	0	0	0	0	111.1	N277 C278 F284 E285	N277-S281 VanDerWaalsContact O-CB 3.31Å; N277-S281 WeakPolarHBondContact O-CB 3.31Å; N277-S281 PolarHBondContact O-N 2.87Å; N277-S281 PolarHBondContact O-OG 3.04Å; C278-S281 PolarHBondContact O-N 2.95Å; S281-F284 PolarHBondContact O-N 3.48Å; S281-E285 WeakPolarHBondContact O-CB 3.37Å; S281-E285 PolarHBondContact O-N 2.78Å
282	F	84	Confident	75.6	Confident	1 Å²	1	39 Å²	39	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-41.7	175.3	-176.9	-145.6	0	0	0	112.2	I209 R219 T220 L223 C278 L279 L280 F284 E285 V286 I316	I209-F282 HydrophobicContact CG2-CB 4.18Å; I209-F282 HydrophobicContact CG2-CD1 4.2Å; I209-F282 HydrophobicContact CG2-CG 4.29Å; R219-F282 HydrophobicContact CB-CE1 4.34Å; R219-F282 HydrophobicContact CB-CE2 4.31Å; R219-F282 HydrophobicContact CB-CZ 3.91Å; T220-F282 HydrophobicContact CG2-CE1 4.29Å; T220-F282 HydrophobicContact CG2-CZ 3.8Å; L223-F282 HydrophobicContact CD2-CD1 4.2Å; L223-F282 HydrophobicContact CD2-CE1 3.92Å; C278-F282 WeakPolarHBondContact O-CB 3.35Å; C278-F282 PolarHBondContact O-N 3.39Å; L279-F282 PolarHBondContact O-N 3.42Å; L280-F282 VanDerWaalsContact C-N 3.3Å; L280-F282 PolarHBondContact O-N 2.85Å; F282-F284 VanDerWaalsContact C-N 3.33Å; F282-F284 PolarHBondContact O-N 3.44Å; F282-E285 WeakPolarHBondContact O-CB 3.42Å; F282-E285 PolarHBondContact O-N 2.93Å; F282-V286 HydrophobicContact CD2-CG2 3.99Å; F282-V286 HydrophobicContact CE2-CG2 3.64Å; F282-V286 HydrophobicContact CZ-CG2 4.16Å; F282-V286 WeakPolarHBondContact O-CG2 3.17Å; F282-V286 PolarHBondContact O-N 3.13Å; F282-I316 HydrophobicContact CD1-CD1 3.46Å; F282-I316 VanDerWaalsContact CD1-CD1 3.46Å; F282-I316 HydrophobicContact CD1-CG1 3.62Å; F282-I316 HydrophobicContact CD2-CD1 4.47Å; F282-I316 HydrophobicContact CE1-CD1 3.54Å; F282-I316 HydrophobicContact CE1-CG1 3.71Å; F282-I316 HydrophobicContact CG-CD1 3.96Å; F282-I316 HydrophobicContact CZ-CD1 4.11Å
283	W	86.2	Confident	73.3	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-44.8	173.8	-172.6	80.9	0	0	0	111.6	L279 L280 V286 A287 W288 I316 V352 L355 I358 L388	L279-W283 WeakPolarHBondContact O-CB 3.42Å; L279-W283 PolarHBondContact O-N 2.86Å; L280-W283 WeakPolarHBondContact O-CB 3.46Å; L280-W283 PolarHBondContact O-N 3.26Å; W283-V286 PolarHBondContact O-N 3.49Å; W283-A287 WeakPolarHBondContact O-CB 3.33Å; W283-A287 PolarHBondContact O-N 3.08Å; W283-W288 HydrophobicContact CZ3-CZ3 4.5Å; W283-I316 HydrophobicContact CB-CG2 3.8Å; W283-I316 HydrophobicContact CG-CG2 4.39Å; W283-V352 HydrophobicContact CE3-CG2 4.45Å; W283-V352 HydrophobicContact CH2-CB 4.29Å; W283-V352 HydrophobicContact CH2-CG1 3.74Å; W283-V352 HydrophobicContact CH2-CG2 4.34Å; W283-V352 HydrophobicContact CZ3-CB 4.19Å; W283-V352 HydrophobicContact CZ3-CG1 4.04Å; W283-V352 HydrophobicContact CZ3-CG2 3.78Å; W283-L355 HydrophobicContact CE3-CD1 4.49Å; W283-L355 HydrophobicContact CH2-CB 4.24Å; W283-L355 HydrophobicContact CH2-CD1 3.2Å; W283-L355 HydrophobicContact CH2-CG 4.34Å; W283-L355 HydrophobicContact CZ2-CD1 4.04Å; W283-L355 HydrophobicContact CZ3-CD1 3.47Å; W283-L355 VanDerWaalsContact CZ3-CD1 3.47Å; W283-I358 HydrophobicContact CZ2-CD1 4.28Å; W283-L388 HydrophobicContact CH2-CD2 4.28Å; W283-L388 HydrophobicContact CZ2-CD1 4.37Å; W283-L388 HydrophobicContact CZ2-CD2 3.74Å
284	F	84.5	Confident	71.2	Confident	41 Å²	41	48.5 Å²	48.5	18%	0.18	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-42.2	176	-75.1	-51.8	0	0	0	112.1	L280 S281 F282 A287 W288 V348 K351 V352	L280-F284 HydrophobicContact CB-CD2 4.46Å; L280-F284 HydrophobicContact CB-CE2 4.31Å; L280-F284 WeakPolarHBondContact O-CB 3.14Å; L280-F284 WeakPolarHBondContact O-CD2 3.27Å; L280-F284 WeakPolarHBondContact O-CG 3.32Å; L280-F284 PolarHBondContact O-N 2.65Å; S281-F284 PolarHBondContact O-N 3.48Å; F282-F284 VanDerWaalsContact C-N 3.33Å; F282-F284 PolarHBondContact O-N 3.44Å; F284-A287 PolarHBondContact O-N 2.96Å; F284-W288 HydrophobicContact CB-CE3 4.44Å; F284-W288 AromaticContact CD1-CE3 3.64Å; F284-W288 HydrophobicContact CD1-CE3 3.64Å; F284-W288 HydrophobicContact CD1-CH2 4.14Å; F284-W288 AromaticContact CD1-CZ3 3.22Å; F284-W288 HydrophobicContact CD1-CZ3 3.22Å; F284-W288 HydrophobicContact CE1-CE3 4.4Å; F284-W288 HydrophobicContact CE1-CH2 4.1Å; F284-W288 AromaticContact CE1-CZ3 3.55Å; F284-W288 HydrophobicContact CE1-CZ3 3.55Å; F284-W288 HydrophobicContact CG-CZ3 4.41Å; F284-W288 VanDerWaalsContact O-CB 3.29Å; F284-W288 WeakPolarHBondContact O-CB 3.34Å; F284-W288 PolarHBondContact O-N 2.9Å; F284-V348 HydrophobicContact CE2-CG1 4.12Å; F284-V348 HydrophobicContact CZ-CG1 4.03Å; F284-K351 HydrophobicContact CE1-CB 3.99Å; F284-K351 HydrophobicContact CZ-CB 4.19Å; F284-V352 HydrophobicContact CE1-CG2 3.97Å; F284-V352 HydrophobicContact CZ-CG2 3.76Å
285	E	81.6	Confident	68.8	Low	84 Å²	84	52.6 Å²	52.6	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-50	176.3	-171.2	-179.9	167.7	0	0	111.4	R219 S281 F282 A287 W288 C289	R219-E285 IonicContact CZ-OE2 3.01Å; R219-E285 IonicContact NH1-OE1 2.74Å; R219-E285 PolarHBondContact NH1-OE1 2.87Å; R219-E285 VanDerWaalsContact NH1-OE1 3.13Å; R219-E285 IonicContact NH1-OE2 2.84Å; R219-E285 PolarHBondContact NH1-OE2 3.34Å; R219-E285 IonicContact NH2-OE2 3.76Å; R219-E285 PolarHBondContact NH2-OE2 3.23Å; S281-E285 WeakPolarHBondContact O-CB 3.37Å; S281-E285 PolarHBondContact O-N 2.78Å; F282-E285 WeakPolarHBondContact O-CB 3.42Å; F282-E285 PolarHBondContact O-N 2.93Å; E285-A287 PolarHBondContact O-N 2.9Å; E285-W288 PolarHBondContact O-N 2.73Å; E285-C289 WeakPolarHBondContact O-CB 3.46Å; E285-C289 PolarHBondContact O-N 3.07Å; E285-C289 PolarHBondContact O-SG 3.3Å
286	V	80.6	Confident	66.3	Low	10 Å²	10	61 Å²	61	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-41.3	177	177.8	0	0	0	0	111.3	F282 W283 D312 M313 I316	F282-V286 HydrophobicContact CD2-CG2 3.99Å; F282-V286 HydrophobicContact CE2-CG2 3.64Å; F282-V286 HydrophobicContact CZ-CG2 4.16Å; F282-V286 WeakPolarHBondContact O-CG2 3.17Å; F282-V286 PolarHBondContact O-N 3.13Å; W283-V286 PolarHBondContact O-N 3.49Å; V286-D312 HydrophobicContact CG1-CB 4.49Å; V286-M313 HydrophobicContact CG1-CE 4.01Å; V286-M313 HydrophobicContact CG1-CG 3.98Å; V286-I316 HydrophobicContact CG2-CD1 4.12Å
287	A	78.9	Confident	63.6	Low	2 Å²	2	69.2 Å²	69.2	2%	0.017	37%	0.367	C	S	.	.	H	α-helix	trans	-76.2	-26	-177.1	0	0	0	0	0	114.5	W283 F284 E285 F305 M313 L355	W283-A287 WeakPolarHBondContact O-CB 3.33Å; W283-A287 PolarHBondContact O-N 3.08Å; F284-A287 PolarHBondContact O-N 2.96Å; E285-A287 PolarHBondContact O-N 2.9Å; A287-F305 WeakPolarHBondContact O-CE1 3.3Å; A287-M313 VanDerWaalsContact CA-CE 3.45Å; A287-M313 HydrophobicContact CB-CE 3.72Å; A287-L355 HydrophobicContact CB-CD1 3.55Å
288	W	73.9	Confident	61	Low	72 Å²	72	72.9 Å²	72.9	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-103.5	-2	178.8	-95.1	-102.2	0	0	0	114.2	W283 F284 E285 R290 T291 K351 L355	W283-W288 HydrophobicContact CZ3-CZ3 4.5Å; F284-W288 HydrophobicContact CB-CE3 4.44Å; F284-W288 AromaticContact CD1-CE3 3.64Å; F284-W288 HydrophobicContact CD1-CE3 3.64Å; F284-W288 HydrophobicContact CD1-CH2 4.14Å; F284-W288 AromaticContact CD1-CZ3 3.22Å; F284-W288 HydrophobicContact CD1-CZ3 3.22Å; F284-W288 HydrophobicContact CE1-CE3 4.4Å; F284-W288 HydrophobicContact CE1-CH2 4.1Å; F284-W288 AromaticContact CE1-CZ3 3.55Å; F284-W288 HydrophobicContact CE1-CZ3 3.55Å; F284-W288 HydrophobicContact CG-CZ3 4.41Å; F284-W288 VanDerWaalsContact O-CB 3.29Å; F284-W288 WeakPolarHBondContact O-CB 3.34Å; F284-W288 PolarHBondContact O-N 2.9Å; E285-W288 PolarHBondContact O-N 2.73Å; W288-R290 PolarHBondContact O-N 3.33Å; W288-T291 HydrophobicContact CB-CG2 4.35Å; W288-T291 VanDerWaalsContact CD1-CG2 3.41Å; W288-T291 HydrophobicContact CG-CG2 4Å; W288-T291 WeakPolarHBondContact O-CB 3.43Å; W288-T291 PolarHBondContact O-N 3.35Å; W288-T291 PolarHBondContact O-OG1 3.15Å; W288-K351 HydrophobicContact CH2-CB 4.06Å; W288-K351 WeakPolarHBondContact CH2-O 3.4Å; W288-L355 HydrophobicContact CE3-CD1 3.76Å; W288-L355 HydrophobicContact CE3-CG 4.43Å; W288-L355 HydrophobicContact CH2-CD1 3.81Å; W288-L355 HydrophobicContact CH2-CG 3.92Å; W288-L355 HydrophobicContact CZ3-CD1 3.18Å; W288-L355 HydrophobicContact CZ3-CD2 4.35Å; W288-L355 HydrophobicContact CZ3-CG 3.78Å
289	C	57.4	Low	58.7	Low	71 Å²	71	75.3 Å²	75.3	48%	0.48	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-21.8	-179	-102.8	0	0	0	0	115.5	E285	E285-C289 WeakPolarHBondContact O-CB 3.46Å; E285-C289 PolarHBondContact O-N 3.07Å; E285-C289 PolarHBondContact O-SG 3.3Å
290	R	48.9	Very low	56.2	Low	146 Å²	146	84.4 Å²	84.4	55%	0.551	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	6.8	176.8	-63.2	-168.7	-171.3	-164.2	2.6	116.1	W288 E309	W288-R290 PolarHBondContact O-N 3.33Å; R290-E309 IonicContact CZ-OE1 3.99Å; R290-E309 IonicContact NE-OE1 3.85Å; R290-E309 PolarHBondContact NE-OE1 3.4Å; R290-E309 IonicContact NH2-OE1 2.89Å; R290-E309 PolarHBondContact NH2-OE1 2.79Å; R290-E309 IonicContact NH2-OE2 3.75Å
291	T	45.6	Very low	54.1	Low	60 Å²	60	89.4 Å²	89.4	37%	0.368	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	2.1	-174	58.1	0	0	0	0	115	W288 D293	W288-T291 HydrophobicContact CB-CG2 4.35Å; W288-T291 VanDerWaalsContact CD1-CG2 3.41Å; W288-T291 HydrophobicContact CG-CG2 4Å; W288-T291 WeakPolarHBondContact O-CB 3.43Å; W288-T291 PolarHBondContact O-N 3.35Å; W288-T291 PolarHBondContact O-OG1 3.15Å; T291-D293 VanDerWaalsContact C-N 3.26Å; T291-D293 PolarHBondContact O-N 2.96Å
292	T	35.7	Very low	52.2	Low	125 Å²	125	90.8 Å²	90.8	77%	0.767	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	4.2	179.3	53.5	0	0	0	0	114.5	G294	T292-G294 PolarHBondContact O-N 2.9Å
293	D	32	Very low	50.9	Low	146 Å²	146	94.9 Å²	94.9	78%	0.781	51%	0.509	S	S	*	.	S	Bend	trans	-87.7	104	163	-71.3	-20.4	0	0	0	108.2	T291 E295	T291-D293 VanDerWaalsContact C-N 3.26Å; T291-D293 PolarHBondContact O-N 2.96Å; D293-E295 PolarHBondContact O-N 3.08Å
294	G	35.2	Very low	49.7	Very low	82 Å²	82	96.9 Å²	96.9	85%	0.845	52%	0.523	S	S	*	.			trans	-68.5	50.8	-167.3	0	0	0	0	0	117	T292	T292-G294 PolarHBondContact O-N 2.9Å
295	E	28.7	Very low	49.2	Very low	122 Å²	122	95.4 Å²	95.4	57%	0.57	52%	0.517	S	S	*	.			trans	-116.5	84.3	168.6	-69.1	-160.8	-172.2	0	0	111.1	D293 R297	D293-E295 PolarHBondContact O-N 3.08Å; E295-R297 HydrophobicContact CB-CG 4.48Å; E295-R297 PolarHBondContact O-N 3.37Å; E295-R297 IonicContact OE1-NH2 3.85Å; E295-R297 IonicContact OE2-CZ 3.55Å; E295-R297 VanDerWaalsContact OE2-CZ 3.28Å; E295-R297 IonicContact OE2-NE 3.44Å; E295-R297 PolarHBondContact OE2-NE 3.46Å; E295-R297 IonicContact OE2-NH2 2.78Å; E295-R297 PolarHBondContact OE2-NH2 3.27Å
296	L	29.4	Very low	48.7	Very low	179 Å²	179	92.3 Å²	92.3	94%	0.937	51%	0.507	S	S	*	.			trans	-64.2	75.1	155.9	-86.3	138.2	0	0	0	108.8
297	R	27.8	Very low	48.6	Very low	173 Å²	173	95.6 Å²	95.6	65%	0.653	52%	0.522	S	S	*	.			trans	-84.9	112.9	161.7	-68.7	-168.7	-166.2	-157.5	1.6	108.3	E295 G299	E295-R297 HydrophobicContact CB-CG 4.48Å; E295-R297 PolarHBondContact O-N 3.37Å; E295-R297 IonicContact OE1-NH2 3.85Å; E295-R297 IonicContact OE2-CZ 3.55Å; E295-R297 VanDerWaalsContact OE2-CZ 3.28Å; E295-R297 IonicContact OE2-NE 3.44Å; E295-R297 PolarHBondContact OE2-NE 3.46Å; E295-R297 IonicContact OE2-NH2 2.78Å; E295-R297 PolarHBondContact OE2-NH2 3.27Å; R297-G299 PolarHBondContact O-N 3.29Å
298	T	31.5	Very low	48.5	Very low	151 Å²	151	102.4 Å²	102.4	93%	0.926	55%	0.553	S	S	*	*	S	Bend	trans	-54.2	101.6	166.5	47.6	0	0	0	0	109.7
299	G	33.1	Very low	48.8	Very low	58 Å²	58	101.2 Å²	101.2	60%	0.598	55%	0.551	S	S	*	*	S	Bend	trans	145.1	106.8	176.2	0	0	0	0	0	111.7	R297 I301	R297-G299 PolarHBondContact O-N 3.29Å; G299-I301 PolarHBondContact O-N 3.42Å; G299-I301 VanDerWaalsContact O-N 3.08Å
300	E	34.9	Very low	50	Low	191 Å²	191	97.9 Å²	97.9	89%	0.893	53%	0.528	S	S	*	.			trans	44.3	49.9	158	-61.6	-176.3	159.3	0	0	117.2	T302	E300-T302 PolarHBondContact O-N 3.26Å
301	I	41.8	Very low	51.7	Low	110 Å²	110	95.9 Å²	95.9	56%	0.564	52%	0.524	S	S	*	.			trans	-78.4	81.1	165.4	-52.3	173.5	0	0	0	107.3	G299 R303	G299-I301 PolarHBondContact O-N 3.42Å; G299-I301 VanDerWaalsContact O-N 3.08Å; I301-R303 VanDerWaalsContact C-N 3.28Å; I301-R303 HydrophobicContact CG2-CG 4.37Å; I301-R303 PolarHBondContact O-N 3.36Å
302	T	44.5	Very low	53.5	Low	81 Å²	81	94.1 Å²	94.1	50%	0.497	51%	0.512	S	S	.	.			trans	-60.7	94	165.8	50.2	0	0	0	0	108.1	E300 S304	E300-T302 PolarHBondContact O-N 3.26Å; T302-S304 PolarHBondContact O-N 3.33Å
303	R	56	Low	55.9	Low	86 Å²	86	88.2 Å²	88.2	33%	0.325	48%	0.475	S	S	.	.			trans	-61.2	127.6	179.5	-65.5	-177.6	-172.4	-176.2	4.6	108.8	I301 F305	I301-R303 VanDerWaalsContact C-N 3.28Å; I301-R303 HydrophobicContact CG2-CG 4.37Å; I301-R303 PolarHBondContact O-N 3.36Å; R303-F305 HydrophobicContact CB-CE2 3.75Å; R303-F305 HydrophobicContact CB-CZ 4.05Å
304	S	61.6	Low	58.4	Low	45 Å²	45	81.9 Å²	81.9	32%	0.315	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.7	-165.2	95.8	0	0	0	0	108.3	T302 R359 S361	T302-S304 PolarHBondContact O-N 3.33Å; S304-R359 WeakPolarHBondContact CA-O 3.41Å; S304-S361 VanDerWaalsContact OG-CA 3.23Å; S304-S361 WeakPolarHBondContact OG-CA 3.47Å; S304-S361 WeakPolarHBondContact OG-CB 3.39Å
305	F	73.2	Confident	60.8	Low	10 Å²	10	78.7 Å²	78.7	4%	0.044	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	152.3	-170	-63.5	-87.8	0	0	0	112.4	A287 R303 E309 L310 M313 I358 R359 S361	A287-F305 WeakPolarHBondContact O-CE1 3.3Å; R303-F305 HydrophobicContact CB-CE2 3.75Å; R303-F305 HydrophobicContact CB-CZ 4.05Å; F305-E309 WeakPolarHBondContact CA-OE2 3.47Å; F305-L310 HydrophobicContact CB-CD2 3.95Å; F305-L310 HydrophobicContact CB-CG 3.94Å; F305-M313 HydrophobicContact CD1-CE 3.53Å; F305-M313 HydrophobicContact CE1-CE 3.39Å; F305-M313 HydrophobicContact CG-CE 4.2Å; F305-M313 HydrophobicContact CZ-CE 3.95Å; F305-I358 HydrophobicContact CD2-CG2 3.53Å; F305-I358 HydrophobicContact CE2-CG1 4.49Å; F305-I358 HydrophobicContact CE2-CG2 3.82Å; F305-I358 HydrophobicContact CG-CG2 4.41Å; F305-R359 PolarHBondContact N-O 3.39Å; F305-R359 VanDerWaalsContact N-O 3.09Å; F305-S361 PolarHBondContact O-N 3.38Å; F305-S361 VanDerWaalsContact O-N 3.08Å
306	G	72.9	Confident	63.6	Low	18 Å²	18	72.9 Å²	72.9	19%	0.186	38%	0.378	C	S	.	.			trans	-74.1	164.6	170.9	0	0	0	0	0	112.4	E309 L310	G306-E309 PolarHBondContact N-OE2 2.83Å; G306-L310 VanDerWaalsContact O-CG 3.25Å; G306-L310 WeakPolarHBondContact O-CG 3.48Å; G306-L310 PolarHBondContact O-N 3.29Å; G306-L310 VanDerWaalsContact O-N 3.13Å
307	E	77.5	Confident	66.4	Low	79 Å²	79	64.5 Å²	64.5	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-68.8	-35.2	-177.6	-167.1	179.6	140.1	0	0	113.3	K311 R360	E307-K311 WeakPolarHBondContact O-CG 3.4Å; E307-K311 PolarHBondContact O-N 3.26Å; E307-K311 VanDerWaalsContact O-N 3.07Å; E307-K311 WeakPolarHBondContact OE1-CE 3.43Å; E307-K311 IonicContact OE1-NZ 3.33Å; E307-K311 PolarHBondContact OE1-NZ 2.95Å; E307-R360 IonicContact OE2-CZ 3.4Å; E307-R360 IonicContact OE2-NH2 2.64Å; E307-R360 PolarHBondContact OE2-NH2 2.73Å
308	E	78	Confident	69.1	Low	146 Å²	146	60.1 Å²	60.1	68%	0.682	32%	0.317	S	S	*	.	H	α-helix	trans	-68	-46.6	176.8	-64.1	-171.3	158.2	0	0	111.4	L310 K311 D312	E308-L310 VanDerWaalsContact C-N 3.28Å; E308-L310 PolarHBondContact O-N 3.38Å; E308-K311 WeakPolarHBondContact O-CB 3.35Å; E308-K311 PolarHBondContact O-N 3.24Å; E308-D312 PolarHBondContact O-N 3.33Å
309	E	80	Confident	71.7	Confident	47 Å²	47	52.9 Å²	52.9	22%	0.22	27%	0.273	C	S	.	.	H	α-helix	trans	-55.8	-43.6	175.1	-63.4	166.5	-179.8	0	0	111	R290 F305 G306 D312 M313	R290-E309 IonicContact CZ-OE1 3.99Å; R290-E309 IonicContact NE-OE1 3.85Å; R290-E309 PolarHBondContact NE-OE1 3.4Å; R290-E309 IonicContact NH2-OE1 2.89Å; R290-E309 PolarHBondContact NH2-OE1 2.79Å; R290-E309 IonicContact NH2-OE2 3.75Å; F305-E309 WeakPolarHBondContact CA-OE2 3.47Å; G306-E309 PolarHBondContact N-OE2 2.83Å; E309-D312 PolarHBondContact O-N 2.87Å; E309-M313 VanDerWaalsContact O-CG 3.31Å; E309-M313 WeakPolarHBondContact O-CG 3.24Å; E309-M313 PolarHBondContact O-N 2.89Å
310	L	82.8	Confident	74.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.3	-70.1	168.6	0	0	0	111.9	F305 G306 E308 D312 M313 I314 I358 R360 C381 V384	F305-L310 HydrophobicContact CB-CD2 3.95Å; F305-L310 HydrophobicContact CB-CG 3.94Å; G306-L310 VanDerWaalsContact O-CG 3.25Å; G306-L310 WeakPolarHBondContact O-CG 3.48Å; G306-L310 PolarHBondContact O-N 3.29Å; G306-L310 VanDerWaalsContact O-N 3.13Å; E308-L310 VanDerWaalsContact C-N 3.28Å; E308-L310 PolarHBondContact O-N 3.38Å; L310-D312 VanDerWaalsContact C-N 3.3Å; L310-D312 PolarHBondContact O-N 2.73Å; L310-M313 PolarHBondContact O-N 3.04Å; L310-I314 VanDerWaalsContact O-CG1 3.3Å; L310-I314 WeakPolarHBondContact O-CG1 3.33Å; L310-I314 PolarHBondContact O-N 3.35Å; L310-I358 HydrophobicContact CD2-CG2 3.64Å; L310-R360 HydrophobicContact CD1-CG 4.44Å; L310-C381 VanDerWaalsContact CD1-SG 3.55Å; L310-V384 HydrophobicContact CB-CG2 4.43Å; L310-V384 HydrophobicContact CD2-CG2 4.03Å
311	K	83	Confident	76.7	Confident	105 Å²	105	41.1 Å²	41.1	46%	0.457	20%	0.203	S	C	.	.	H	α-helix	trans	-62.8	-38.7	176.8	-75	171.8	-175.9	165.2	0	111.7	E307 E308 I314 L315	E307-K311 WeakPolarHBondContact O-CG 3.4Å; E307-K311 PolarHBondContact O-N 3.26Å; E307-K311 VanDerWaalsContact O-N 3.07Å; E307-K311 WeakPolarHBondContact OE1-CE 3.43Å; E307-K311 IonicContact OE1-NZ 3.33Å; E307-K311 PolarHBondContact OE1-NZ 2.95Å; E308-K311 WeakPolarHBondContact O-CB 3.35Å; E308-K311 PolarHBondContact O-N 3.24Å; K311-I314 PolarHBondContact O-N 2.92Å; K311-L315 PolarHBondContact O-N 3.24Å; K311-L315 VanDerWaalsContact O-N 3.07Å
312	D	83.6	Confident	78.7	Confident	23 Å²	23	36.2 Å²	36.2	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-43.3	176.2	-67.6	-21.5	0	0	0	111.2	T220 V286 E308 E309 L310 I314 L315 I316	T220-D312 HydrophobicContact CG2-CB 3.95Å; T220-D312 VanDerWaalsContact CG2-OD1 3.22Å; T220-D312 WeakPolarHBondContact CG2-OD1 3.49Å; V286-D312 HydrophobicContact CG1-CB 4.49Å; E308-D312 PolarHBondContact O-N 3.33Å; E309-D312 PolarHBondContact O-N 2.87Å; L310-D312 VanDerWaalsContact C-N 3.3Å; L310-D312 PolarHBondContact O-N 2.73Å; D312-I314 PolarHBondContact O-N 3.5Å; D312-L315 WeakPolarHBondContact O-CB 3.39Å; D312-L315 PolarHBondContact O-N 3.17Å; D312-I316 WeakPolarHBondContact O-CD1 3.46Å; D312-I316 VanDerWaalsContact O-CG1 3.26Å; D312-I316 WeakPolarHBondContact O-CG1 3.34Å; D312-I316 PolarHBondContact O-N 2.87Å
313	M	85.8	Confident	80.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-44.7	173.3	-71.9	-179.9	-174.3	0	0	112.5	V286 A287 F305 E309 L310 L315 I316 L317 I358 V384	V286-M313 HydrophobicContact CG1-CE 4.01Å; V286-M313 HydrophobicContact CG1-CG 3.98Å; A287-M313 VanDerWaalsContact CA-CE 3.45Å; A287-M313 HydrophobicContact CB-CE 3.72Å; F305-M313 HydrophobicContact CD1-CE 3.53Å; F305-M313 HydrophobicContact CE1-CE 3.39Å; F305-M313 HydrophobicContact CG-CE 4.2Å; F305-M313 HydrophobicContact CZ-CE 3.95Å; E309-M313 VanDerWaalsContact O-CG 3.31Å; E309-M313 WeakPolarHBondContact O-CG 3.24Å; E309-M313 PolarHBondContact O-N 2.89Å; L310-M313 PolarHBondContact O-N 3.04Å; M313-L315 VanDerWaalsContact C-N 3.3Å; M313-L315 PolarHBondContact O-N 2.79Å; M313-I316 PolarHBondContact O-N 2.99Å; M313-L317 WeakPolarHBondContact O-CB 3.45Å; M313-L317 WeakPolarHBondContact O-CG 3.19Å; M313-L317 PolarHBondContact O-N 3.25Å; M313-I358 HydrophobicContact SD-CD1 3.92Å; M313-V384 HydrophobicContact CB-CG2 4.35Å
314	I	85.7	Confident	81.9	Confident	13 Å²	13	28.4 Å²	28.4	7%	0.067	14%	0.139	C	C	.	.	H	α-helix	trans	-58.5	-45.8	176.4	-67.3	170.7	0	0	0	110	L310 K311 D312 I316 L317 R318 D383 V384	L310-I314 VanDerWaalsContact O-CG1 3.3Å; L310-I314 WeakPolarHBondContact O-CG1 3.33Å; L310-I314 PolarHBondContact O-N 3.35Å; K311-I314 PolarHBondContact O-N 2.92Å; D312-I314 PolarHBondContact O-N 3.5Å; I314-I316 PolarHBondContact O-N 3.49Å; I314-L317 PolarHBondContact O-N 2.96Å; I314-R318 HydrophobicContact CG2-CG 4.19Å; I314-R318 WeakPolarHBondContact O-CB 3.23Å; I314-R318 VanDerWaalsContact O-CG 3.27Å; I314-R318 WeakPolarHBondContact O-CG 3.28Å; I314-R318 PolarHBondContact O-N 3.4Å; I314-D383 HydrophobicContact CD1-CB 3.87Å; I314-V384 HydrophobicContact CD1-CG2 3.91Å; I314-V384 HydrophobicContact CG1-CB 4.33Å; I314-V384 HydrophobicContact CG1-CG2 3.28Å
315	L	85.5	Confident	82.8	Confident	16 Å²	16	27.2 Å²	27.2	8%	0.084	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-44.5	-178.6	-179.7	67.9	0	0	0	111.8	T220 L223 R224 L227 K311 D312 M313 T319	T220-L315 WeakPolarHBondContact O-CD2 3.09Å; L223-L315 HydrophobicContact CB-CD2 4.28Å; L223-L315 HydrophobicContact CD2-CD2 4.06Å; L223-L315 HydrophobicContact CD2-CG 3.94Å; L223-L315 HydrophobicContact CG-CD2 4.13Å; L223-L315 HydrophobicContact CG-CG 4.07Å; R224-L315 HydrophobicContact CB-CD1 4.36Å; R224-L315 HydrophobicContact CB-CD2 4.01Å; R224-L315 HydrophobicContact CG-CD1 4.47Å; L227-L315 HydrophobicContact CB-CD1 4.42Å; L227-L315 HydrophobicContact CD2-CD1 3.46Å; L227-L315 VanDerWaalsContact CD2-CD1 3.46Å; K311-L315 PolarHBondContact O-N 3.24Å; K311-L315 VanDerWaalsContact O-N 3.07Å; D312-L315 WeakPolarHBondContact O-CB 3.39Å; D312-L315 PolarHBondContact O-N 3.17Å; M313-L315 VanDerWaalsContact C-N 3.3Å; M313-L315 PolarHBondContact O-N 2.79Å; L315-T319 PolarHBondContact O-N 2.78Å; L315-T319 VanDerWaalsContact O-N 3.1Å; L315-T319 PolarHBondContact O-OG1 3.49Å
316	I	86.4	Confident	83.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-48.6	177.2	-59.5	160.5	0	0	0	110.7	L223 L279 F282 W283 V286 D312 M313 I314 R318 T319 L320	L223-I316 HydrophobicContact CD2-CB 4.16Å; L223-I316 HydrophobicContact CD2-CG1 3.4Å; L223-I316 VanDerWaalsContact CD2-CG1 3.4Å; L279-I316 HydrophobicContact CB-CG2 4.47Å; L279-I316 WeakPolarHBondContact O-CG2 3.46Å; F282-I316 HydrophobicContact CD1-CD1 3.46Å; F282-I316 VanDerWaalsContact CD1-CD1 3.46Å; F282-I316 HydrophobicContact CD1-CG1 3.62Å; F282-I316 HydrophobicContact CD2-CD1 4.47Å; F282-I316 HydrophobicContact CE1-CD1 3.54Å; F282-I316 HydrophobicContact CE1-CG1 3.71Å; F282-I316 HydrophobicContact CG-CD1 3.96Å; F282-I316 HydrophobicContact CZ-CD1 4.11Å; W283-I316 HydrophobicContact CB-CG2 3.8Å; W283-I316 HydrophobicContact CG-CG2 4.39Å; V286-I316 HydrophobicContact CG2-CD1 4.12Å; D312-I316 WeakPolarHBondContact O-CD1 3.46Å; D312-I316 VanDerWaalsContact O-CG1 3.26Å; D312-I316 WeakPolarHBondContact O-CG1 3.34Å; D312-I316 PolarHBondContact O-N 2.87Å; M313-I316 PolarHBondContact O-N 2.99Å; I314-I316 PolarHBondContact O-N 3.49Å; I316-R318 PolarHBondContact O-N 2.92Å; I316-T319 PolarHBondContact O-N 3.03Å; I316-L320 HydrophobicContact CG2-CD1 4.08Å; I316-L320 PolarHBondContact O-N 2.92Å
317	L	88	Confident	83.6	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-40.2	179.6	-72.2	171.8	0	0	0	112.2	M313 I314 T319 L320 N321 V384 A387 L388	M313-L317 WeakPolarHBondContact O-CB 3.45Å; M313-L317 WeakPolarHBondContact O-CG 3.19Å; M313-L317 PolarHBondContact O-N 3.25Å; I314-L317 PolarHBondContact O-N 2.96Å; L317-T319 VanDerWaalsContact C-N 3.31Å; L317-T319 PolarHBondContact O-N 3.07Å; L317-L320 HydrophobicContact CD2-CD1 4.39Å; L317-L320 PolarHBondContact O-N 3.31Å; L317-N321 WeakPolarHBondContact O-CB 3.4Å; L317-N321 PolarHBondContact O-N 3.43Å; L317-N321 PolarHBondContact O-ND2 3.01Å; L317-N321 PolarHBondContact O-OD1 3.44Å; L317-V384 HydrophobicContact CD1-CG1 4.12Å; L317-A387 HydrophobicContact CB-CB 3.96Å; L317-A387 HydrophobicContact CD1-CB 3.99Å; L317-L388 HydrophobicContact CD1-CD2 3.74Å; L317-L388 HydrophobicContact CD1-CG 3.73Å; L317-L388 HydrophobicContact CD2-CD2 3.69Å; L317-L388 HydrophobicContact CG-CD2 4.39Å
318	R	85.8	Confident	83.8	Confident	80 Å²	80	25.2 Å²	25.2	30%	0.302	12%	0.118	S	C	.	.	H	α-helix	trans	-59.9	-43.1	174.2	-77.9	179.7	-179.3	177.7	3.7	111.8	L227 F247 I314 I316 N321 I322	L227-R318 HydrophobicContact CD2-CB 4.39Å; F247-R318 HydrophobicContact CD1-CG 4.09Å; F247-R318 HydrophobicContact CE1-CG 3.79Å; I314-R318 HydrophobicContact CG2-CG 4.19Å; I314-R318 WeakPolarHBondContact O-CB 3.23Å; I314-R318 VanDerWaalsContact O-CG 3.27Å; I314-R318 WeakPolarHBondContact O-CG 3.28Å; I314-R318 PolarHBondContact O-N 3.4Å; I316-R318 PolarHBondContact O-N 2.92Å; R318-N321 PolarHBondContact O-N 2.82Å; R318-I322 WeakPolarHBondContact O-CD1 3.1Å; R318-I322 WeakPolarHBondContact O-CG1 3.34Å; R318-I322 PolarHBondContact O-N 3.42Å
319	T	84.7	Confident	83.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.2	-44.7	178.6	-48	0	0	0	0	111.3	L223 L230 L279 L315 I316 L317 N321 I322 L323	L223-T319 HydrophobicContact CD1-CG2 3.83Å; L230-T319 HydrophobicContact CD1-CG2 4.03Å; L279-T319 HydrophobicContact CD1-CG2 3.98Å; L315-T319 PolarHBondContact O-N 2.78Å; L315-T319 VanDerWaalsContact O-N 3.1Å; L315-T319 PolarHBondContact O-OG1 3.49Å; I316-T319 PolarHBondContact O-N 3.03Å; L317-T319 VanDerWaalsContact C-N 3.31Å; L317-T319 PolarHBondContact O-N 3.07Å; T319-N321 VanDerWaalsContact C-N 3.34Å; T319-N321 PolarHBondContact O-N 3.48Å; T319-I322 PolarHBondContact O-N 3.4Å; T319-L323 HydrophobicContact CG2-CD1 4.37Å; T319-L323 WeakPolarHBondContact O-CG 3.36Å; T319-L323 PolarHBondContact O-N 3.31Å; T319-L323 VanDerWaalsContact O-N 3.08Å
320	L	87.5	Confident	83.4	Confident	1 Å²	1	20 Å²	20	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-57.6	-47.2	173.6	-79.3	170.4	0	0	0	111.7	L276 L279 L280 I316 L317 I322 L323 I324 F391	L276-L320 HydrophobicContact CD2-CD2 3.62Å; L279-L320 HydrophobicContact CB-CD1 4.39Å; L279-L320 HydrophobicContact CB-CD2 3.47Å; L279-L320 VanDerWaalsContact CB-CD2 3.47Å; L279-L320 HydrophobicContact CB-CG 3.83Å; L279-L320 HydrophobicContact CD1-CD2 3.87Å; L279-L320 HydrophobicContact CD1-CG 4.16Å; L279-L320 HydrophobicContact CG-CD2 4.34Å; L280-L320 HydrophobicContact CD2-CD1 4.05Å; L280-L320 HydrophobicContact CG-CD1 4.46Å; L280-L320 HydrophobicContact CG-CD2 4.33Å; I316-L320 HydrophobicContact CG2-CD1 4.08Å; I316-L320 PolarHBondContact O-N 2.92Å; L317-L320 HydrophobicContact CD2-CD1 4.39Å; L317-L320 PolarHBondContact O-N 3.31Å; L320-I322 PolarHBondContact O-N 3.32Å; L320-L323 PolarHBondContact O-N 2.85Å; L320-I324 WeakPolarHBondContact O-CB 3.38Å; L320-I324 VanDerWaalsContact O-CG1 3.31Å; L320-I324 WeakPolarHBondContact O-CG1 3.41Å; L320-I324 PolarHBondContact O-N 3.15Å; L320-F391 HydrophobicContact CB-CD2 4.4Å; L320-F391 HydrophobicContact CB-CE2 4.38Å; L320-F391 HydrophobicContact CD1-CE2 4.32Å
321	N	86.4	Confident	82.9	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-42.6	-177.4	-73.5	-11.5	0	0	0	112.1	L317 R318 T319 I324 D325 A387 Y390 F391 I394	L317-N321 WeakPolarHBondContact O-CB 3.4Å; L317-N321 PolarHBondContact O-N 3.43Å; L317-N321 PolarHBondContact O-ND2 3.01Å; L317-N321 PolarHBondContact O-OD1 3.44Å; R318-N321 PolarHBondContact O-N 2.82Å; T319-N321 VanDerWaalsContact C-N 3.34Å; T319-N321 PolarHBondContact O-N 3.48Å; N321-I324 PolarHBondContact O-N 3.28Å; N321-D325 WeakPolarHBondContact O-CB 3.4Å; N321-D325 PolarHBondContact O-N 3.49Å; N321-A387 PolarHBondContact ND2-O 3.49Å; N321-A387 VanDerWaalsContact ND2-O 3.09Å; N321-Y390 HydrophobicContact CB-CD1 3.67Å; N321-Y390 HydrophobicContact CB-CE1 3.63Å; N321-Y390 WeakPolarHBondContact ND2-CD1 3.24Å; N321-F391 WeakPolarHBondContact OD1-CA 3.38Å; N321-F391 WeakPolarHBondContact OD1-CB 3.45Å; N321-I394 HydrophobicContact CB-CD1 4.04Å; N321-I394 WeakPolarHBondContact OD1-CD1 3.31Å
322	I	83.9	Confident	82.4	Confident	7 Å²	7	22.6 Å²	22.6	4%	0.036	13%	0.126	C	C	.	.	H	α-helix	trans	-65.9	-38	175.7	-70.9	160.3	0	0	0	111.8	L227 Q231 L234 F235 Y249 R318 T319 L320 Y326	L227-I322 HydrophobicContact CD1-CD1 3.39Å; Q231-I322 HydrophobicContact CG-CD1 4.18Å; L234-I322 HydrophobicContact CD1-CG2 3.79Å; F235-I322 HydrophobicContact CZ-CG2 4.46Å; Y249-I322 HydrophobicContact CD1-CG1 3.93Å; Y249-I322 HydrophobicContact CE1-CB 4.02Å; Y249-I322 HydrophobicContact CE1-CG1 3.53Å; Y249-I322 HydrophobicContact CE1-CG2 4.23Å; Y249-I322 VanDerWaalsContact OH-CA 3.3Å; Y249-I322 WeakPolarHBondContact OH-CA 3.36Å; Y249-I322 PolarHBondContact OH-O 2.92Å; R318-I322 WeakPolarHBondContact O-CD1 3.1Å; R318-I322 WeakPolarHBondContact O-CG1 3.34Å; R318-I322 PolarHBondContact O-N 3.42Å; T319-I322 PolarHBondContact O-N 3.4Å; L320-I322 PolarHBondContact O-N 3.32Å; I322-Y326 WeakPolarHBondContact O-CB 3.45Å; I322-Y326 PolarHBondContact O-N 3.35Å; I322-Y326 VanDerWaalsContact O-N 3.17Å
323	L	83.7	Confident	82	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-69.7	-45.1	177.2	-71.5	172.1	0	0	0	111.7	M193 L230 V275 L276 L279 T319 L320 Y326 Y327	M193-L323 HydrophobicContact CE-CD1 3.87Å; M193-L323 HydrophobicContact CE-CD2 3.9Å; M193-L323 HydrophobicContact CE-CG 4.48Å; L230-L323 HydrophobicContact CD1-CD1 4.33Å; L230-L323 HydrophobicContact CD1-CD2 3.7Å; L230-L323 HydrophobicContact CD1-CG 3.96Å; L230-L323 HydrophobicContact CD2-CD2 3.96Å; L230-L323 HydrophobicContact CG-CD2 4.48Å; V275-L323 HydrophobicContact CG1-CD1 3.7Å; L276-L323 HydrophobicContact CD2-CB 4.01Å; L276-L323 HydrophobicContact CD2-CD1 4.35Å; L279-L323 HydrophobicContact CD1-CD1 3.68Å; T319-L323 HydrophobicContact CG2-CD1 4.37Å; T319-L323 WeakPolarHBondContact O-CG 3.36Å; T319-L323 PolarHBondContact O-N 3.31Å; T319-L323 VanDerWaalsContact O-N 3.08Å; L320-L323 PolarHBondContact O-N 2.85Å; L323-Y326 WeakPolarHBondContact O-CB 3.16Å; L323-Y326 PolarHBondContact O-N 3.34Å; L323-Y327 HydrophobicContact CB-CE2 3.99Å; L323-Y327 WeakPolarHBondContact O-CD2 3.09Å; L323-Y327 WeakPolarHBondContact O-CE2 3.41Å; L323-Y327 VanDerWaalsContact O-CG 3.29Å; L323-Y327 PolarHBondContact O-N 3.24Å
324	I	84.2	Confident	81.6	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-64.5	-45.1	-178.5	-69.7	167.3	0	0	0	111.2	L276 L320 N321 Y326 Y327 V328 L344 F391 I394 L398	L276-I324 HydrophobicContact CD1-CG1 4.14Å; L276-I324 HydrophobicContact CD2-CD1 4.43Å; L276-I324 HydrophobicContact CD2-CG1 3.93Å; L320-I324 WeakPolarHBondContact O-CB 3.38Å; L320-I324 VanDerWaalsContact O-CG1 3.31Å; L320-I324 WeakPolarHBondContact O-CG1 3.41Å; L320-I324 PolarHBondContact O-N 3.15Å; N321-I324 PolarHBondContact O-N 3.28Å; I324-Y326 VanDerWaalsContact C-N 3.35Å; I324-Y326 PolarHBondContact O-N 2.71Å; I324-Y327 CarbonylContact O-C 3.59Å; I324-Y327 WeakPolarHBondContact O-CA 3.29Å; I324-Y327 WeakPolarHBondContact O-CB 3.33Å; I324-Y327 PolarHBondContact O-N 3.07Å; I324-Y327 VanDerWaalsContact O-N 3.11Å; I324-V328 HydrophobicContact CG2-CG2 4.27Å; I324-V328 WeakPolarHBondContact O-CG2 3.42Å; I324-V328 PolarHBondContact O-N 2.94Å; I324-L344 HydrophobicContact CD1-CD1 4.44Å; I324-F391 HydrophobicContact CD1-CD2 3.8Å; I324-F391 HydrophobicContact CD1-CE2 3.42Å; I324-F391 VanDerWaalsContact CD1-CE2 3.42Å; I324-F391 HydrophobicContact CD1-CZ 4.41Å; I324-I394 HydrophobicContact CB-CD1 3.62Å; I324-I394 HydrophobicContact CB-CG1 4.19Å; I324-I394 HydrophobicContact CD1-CD1 4.18Å; I324-I394 HydrophobicContact CG2-CB 3.85Å; I324-I394 HydrophobicContact CG2-CD1 3.56Å; I324-I394 HydrophobicContact CG2-CG1 3.56Å; I324-L398 HydrophobicContact CB-CD2 4.49Å; I324-L398 HydrophobicContact CG1-CD2 4.25Å; I324-L398 HydrophobicContact CG2-CB 4.06Å; I324-L398 HydrophobicContact CG2-CD2 3.9Å
325	D	79.7	Confident	81.1	Confident	20 Å²	20	40.8 Å²	40.8	11%	0.107	21%	0.212	C	C	.	.	H	α-helix	trans	-70.3	-32.2	-178.6	-178.7	68.6	0	0	0	111.7	Y249 N321 Y327 V328 S329 Y390	Y249-D325 HydrophobicContact CE1-CB 4.38Å; Y249-D325 VanDerWaalsContact CZ-OD2 3.26Å; Y249-D325 WeakPolarHBondContact OH-CB 3.48Å; Y249-D325 PolarHBondContact OH-OD2 3.24Å; N321-D325 WeakPolarHBondContact O-CB 3.4Å; N321-D325 PolarHBondContact O-N 3.49Å; D325-Y327 PolarHBondContact O-N 3.29Å; D325-V328 PolarHBondContact O-N 3.2Å; D325-S329 PolarHBondContact O-N 3.27Å; D325-S329 VanDerWaalsContact O-N 3.11Å; D325-Y390 WeakPolarHBondContact CB-OH 3.36Å; D325-Y390 VanDerWaalsContact CG-OH 3.32Å; D325-Y390 PolarHBondContact OD2-OH 2.97Å
326	Y	81.4	Confident	80.7	Confident	18 Å²	18	41 Å²	41	7%	0.071	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-47.6	164.3	176.2	-106	0	0	0	112.1	L234 Y249 I251 L268 I322 L323 I324 V328 S329 L330	L234-Y326 HydrophobicContact CD1-CD2 4.21Å; L234-Y326 HydrophobicContact CD1-CG 4.21Å; L234-Y326 HydrophobicContact CD2-CD2 3.43Å; L234-Y326 VanDerWaalsContact CD2-CD2 3.43Å; L234-Y326 HydrophobicContact CD2-CE2 3.42Å; L234-Y326 VanDerWaalsContact CD2-CE2 3.42Å; L234-Y326 HydrophobicContact CD2-CG 4.04Å; L234-Y326 HydrophobicContact CG-CD2 4.41Å; Y249-Y326 PolarHBondContact OH-N 2.63Å; I251-Y326 HydrophobicContact CG2-CD2 4.46Å; L268-Y326 HydrophobicContact CB-CE1 4.16Å; L268-Y326 HydrophobicContact CD1-CD1 4.45Å; L268-Y326 HydrophobicContact CD1-CE1 3.62Å; I322-Y326 WeakPolarHBondContact O-CB 3.45Å; I322-Y326 PolarHBondContact O-N 3.35Å; I322-Y326 VanDerWaalsContact O-N 3.17Å; L323-Y326 WeakPolarHBondContact O-CB 3.16Å; L323-Y326 PolarHBondContact O-N 3.34Å; I324-Y326 VanDerWaalsContact C-N 3.35Å; I324-Y326 PolarHBondContact O-N 2.71Å; Y326-V328 PolarHBondContact O-N 3.28Å; Y326-S329 PolarHBondContact O-N 2.87Å; Y326-S329 PolarHBondContact O-OG 3.16Å; Y326-L330 HydrophobicContact CD1-CD1 4.15Å; Y326-L330 HydrophobicContact CE1-CD1 3.59Å; Y326-L330 HydrophobicContact CE1-CG 4.47Å; Y326-L330 PolarHBondContact O-N 2.89Å
327	Y	82.9	Confident	80.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-38.7	177.1	-67.7	-45.4	0	0	0	112.9	L268 M269 G272 L276 L323 I324 D325 S329 L330 M332 F340	L268-Y327 HydrophobicContact CB-CE1 4.38Å; L268-Y327 WeakPolarHBondContact O-CE1 3.38Å; L268-Y327 PolarHBondContact O-OH 3.32Å; L268-Y327 VanDerWaalsContact O-OH 3.05Å; M269-Y327 HydrophobicContact SD-CD1 4.31Å; G272-Y327 WeakPolarHBondContact CA-OH 3.34Å; L276-Y327 HydrophobicContact CD1-CD2 4.28Å; L276-Y327 HydrophobicContact CD1-CE2 4.22Å; L276-Y327 HydrophobicContact CG-CE2 4.38Å; L323-Y327 HydrophobicContact CB-CE2 3.99Å; L323-Y327 WeakPolarHBondContact O-CD2 3.09Å; L323-Y327 WeakPolarHBondContact O-CE2 3.41Å; L323-Y327 VanDerWaalsContact O-CG 3.29Å; L323-Y327 PolarHBondContact O-N 3.24Å; I324-Y327 CarbonylContact O-C 3.59Å; I324-Y327 WeakPolarHBondContact O-CA 3.29Å; I324-Y327 WeakPolarHBondContact O-CB 3.33Å; I324-Y327 PolarHBondContact O-N 3.07Å; I324-Y327 VanDerWaalsContact O-N 3.11Å; D325-Y327 PolarHBondContact O-N 3.29Å; Y327-S329 PolarHBondContact O-N 3.37Å; Y327-L330 HydrophobicContact CD1-CD1 4.49Å; Y327-L330 PolarHBondContact O-N 3.05Å; Y327-M332 VanDerWaalsContact CB-CE 3.47Å; Y327-M332 HydrophobicContact CD1-CE 3.64Å; Y327-M332 HydrophobicContact CG-CE 3.9Å; Y327-M332 WeakPolarHBondContact O-CE 3.06Å; Y327-F340 HydrophobicContact CD1-CZ 4.24Å; Y327-F340 HydrophobicContact CD2-CE1 4.02Å; Y327-F340 HydrophobicContact CD2-CZ 4.07Å; Y327-F340 HydrophobicContact CE1-CZ 4.5Å; Y327-F340 HydrophobicContact CE2-CE1 4.23Å; Y327-F340 HydrophobicContact CE2-CZ 4.35Å; Y327-F340 HydrophobicContact CG-CE1 4.45Å; Y327-F340 HydrophobicContact CG-CZ 4.06Å
328	V	80.1	Confident	80.1	Confident	47 Å²	47	50.9 Å²	50.9	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-33.2	176.1	171.1	0	0	0	0	111.4	I324 D325 Y326 L330 R397 L398	I324-V328 HydrophobicContact CG2-CG2 4.27Å; I324-V328 WeakPolarHBondContact O-CG2 3.42Å; I324-V328 PolarHBondContact O-N 2.94Å; D325-V328 PolarHBondContact O-N 3.2Å; Y326-V328 PolarHBondContact O-N 3.28Å; V328-L330 VanDerWaalsContact C-N 3.31Å; V328-L330 PolarHBondContact O-N 2.93Å; V328-R397 HydrophobicContact CG1-CB 4.17Å; V328-R397 HydrophobicContact CG2-CB 4.17Å; V328-L398 HydrophobicContact CG2-CB 3.72Å; V328-L398 HydrophobicContact CG2-CD1 4.19Å
329	S	75.9	Confident	80	Confident	56 Å²	56	53.8 Å²	53.8	39%	0.392	27%	0.271	S	S	.	.	H	α-helix	trans	-74.1	-17.6	179.5	77.1	0	0	0	0	114.7	I251 D325 Y326 Y327	I251-S329 WeakPolarHBondContact CD1-OG 3.26Å; D325-S329 PolarHBondContact O-N 3.27Å; D325-S329 VanDerWaalsContact O-N 3.11Å; Y326-S329 PolarHBondContact O-N 2.87Å; Y326-S329 PolarHBondContact O-OG 3.16Å; Y327-S329 PolarHBondContact O-N 3.37Å
330	L	75.1	Confident	80	Confident	27 Å²	27	53.9 Å²	53.9	14%	0.141	27%	0.272	C	S	.	.	S	Bend	trans	-87.6	143.2	-177	-69.2	174.2	0	0	0	111.9	M269 Y326 Y327 V328 M332	M269-L330 HydrophobicContact CG-CD1 4.21Å; M269-L330 HydrophobicContact SD-CD1 3.83Å; Y326-L330 HydrophobicContact CD1-CD1 4.15Å; Y326-L330 HydrophobicContact CE1-CD1 3.59Å; Y326-L330 HydrophobicContact CE1-CG 4.47Å; Y326-L330 PolarHBondContact O-N 2.89Å; Y327-L330 HydrophobicContact CD1-CD1 4.49Å; Y327-L330 PolarHBondContact O-N 3.05Å; V328-L330 VanDerWaalsContact C-N 3.31Å; V328-L330 PolarHBondContact O-N 2.93Å; L330-M332 HydrophobicContact CB-CE 4.25Å; L330-M332 HydrophobicContact CD1-CE 4.47Å; L330-M332 WeakPolarHBondContact O-CG 3.18Å; L330-M332 PolarHBondContact O-N 3.4Å
331	P	71.3	Confident	79.8	Confident	131 Å²	131	54.1 Å²	54.1	85%	0.851	27%	0.274	S	S	*	.			trans	-65.8	105.1	169.3	27.1	-32.1	0	0	0	109.8
332	M	72.8	Confident	79.7	Confident	29 Å²	29	61.9 Å²	61.9	14%	0.143	31%	0.308	C	S	.	.			trans	-102.4	131	-175.2	-69.1	-114	179.2	0	0	112.2	M269 Y327 L330 A336 Q337 F340	M269-M332 HydrophobicContact CE-CE 3.72Å; M269-M332 HydrophobicContact CE-CG 4.26Å; M269-M332 HydrophobicContact CE-SD 3.34Å; M269-M332 WeakPolarHBondContact CE-SD 3.35Å; M269-M332 HydrophobicContact SD-CE 3.1Å; M269-M332 WeakPolarHBondContact SD-CE 3.47Å; M269-M332 HydrophobicContact SD-SD 3.65Å; M269-M332 VanDerWaalsContact SD-SD 3.65Å; Y327-M332 VanDerWaalsContact CB-CE 3.47Å; Y327-M332 HydrophobicContact CD1-CE 3.64Å; Y327-M332 HydrophobicContact CG-CE 3.9Å; Y327-M332 WeakPolarHBondContact O-CE 3.06Å; L330-M332 HydrophobicContact CB-CE 4.25Å; L330-M332 HydrophobicContact CD1-CE 4.47Å; L330-M332 WeakPolarHBondContact O-CG 3.18Å; L330-M332 PolarHBondContact O-N 3.4Å; M332-A336 HydrophobicContact SD-CB 4.18Å; M332-Q337 HydrophobicContact CB-CG 3.92Å; M332-F340 HydrophobicContact CE-CE2 4Å; M332-F340 HydrophobicContact CE-CZ 4.49Å; M332-F340 HydrophobicContact SD-CD2 4.3Å; M332-F340 HydrophobicContact SD-CE2 3.75Å
333	A	75.2	Confident	79.6	Confident	68 Å²	68	62.8 Å²	62.8	56%	0.562	31%	0.313	S	S	*	.			trans	-64.1	144.1	167.8	0	0	0	0	0	110.8	Q335 A336 Q337	A333-Q335 PolarHBondContact O-N 3.03Å; A333-A336 WeakPolarHBondContact O-CB 3.46Å; A333-A336 PolarHBondContact O-N 3.04Å; A333-Q337 PolarHBondContact O-N 3.45Å; A333-Q337 VanDerWaalsContact O-N 3.16Å
334	R	77.3	Confident	79.6	Confident	208 Å²	208	63.2 Å²	63.2	79%	0.785	32%	0.315	S	S	*	.	H	α-helix	trans	-52.5	-30	178.7	-72.1	-176	178.3	175.7	-0.3	113.5	K338	R334-K338 WeakPolarHBondContact O-CG 3.29Å; R334-K338 PolarHBondContact O-N 3.45Å
335	Q	76.2	Confident	79.5	Confident	143 Å²	143	65.8 Å²	65.8	67%	0.668	33%	0.329	S	S	*	.	H	α-helix	trans	-70	-36.7	177.2	-172.4	174.3	-3.1	0	0	112.8	A333 R339	A333-Q335 PolarHBondContact O-N 3.03Å; Q335-R339 PolarHBondContact O-N 3.2Å
336	A	76.3	Confident	79.5	Confident	20 Å²	20	67.4 Å²	67.4	17%	0.165	34%	0.344	C	S	.	.	H	α-helix	trans	-69.4	-45	174.2	0	0	0	0	0	110.7	M269 M332 A333 K338 R339 F340	M269-A336 HydrophobicContact CE-CB 4.07Å; M332-A336 HydrophobicContact SD-CB 4.18Å; A333-A336 WeakPolarHBondContact O-CB 3.46Å; A333-A336 PolarHBondContact O-N 3.04Å; A336-K338 VanDerWaalsContact C-N 3.28Å; A336-K338 PolarHBondContact O-N 3.34Å; A336-R339 WeakPolarHBondContact O-CA 3.22Å; A336-R339 WeakPolarHBondContact O-CB 3.02Å; A336-R339 PolarHBondContact O-N 3.11Å; A336-F340 VanDerWaalsContact O-CD2 3.24Å; A336-F340 WeakPolarHBondContact O-CD2 3.26Å; A336-F340 PolarHBondContact O-N 3.45Å
337	Q	80.5	Confident	79.5	Confident	69 Å²	69	74.4 Å²	74.4	32%	0.322	38%	0.375	S	S	.	.	H	α-helix	trans	-54.6	-42.8	173.2	-73.6	179	-31.7	0	0	112.1	M332 A333 R339 F340 A341	M332-Q337 HydrophobicContact CB-CG 3.92Å; A333-Q337 PolarHBondContact O-N 3.45Å; A333-Q337 VanDerWaalsContact O-N 3.16Å; Q337-R339 VanDerWaalsContact C-N 3.29Å; Q337-R339 PolarHBondContact O-N 3.46Å; Q337-F340 PolarHBondContact O-N 3.29Å; Q337-F340 VanDerWaalsContact O-N 3.15Å; Q337-A341 PolarHBondContact O-N 2.84Å
338	K	82.3	Confident	79.6	Confident	142 Å²	142	75.7 Å²	75.7	62%	0.617	38%	0.383	S	S	*	.	H	α-helix	trans	-61.5	-31.2	174.2	-77	179.5	-179.1	-175.1	0	113.8	R334 A336 K342	R334-K338 WeakPolarHBondContact O-CG 3.29Å; R334-K338 PolarHBondContact O-N 3.45Å; A336-K338 VanDerWaalsContact C-N 3.28Å; A336-K338 PolarHBondContact O-N 3.34Å; K338-K342 VanDerWaalsContact O-CG 3.3Å; K338-K342 WeakPolarHBondContact O-CG 3.36Å; K338-K342 PolarHBondContact O-N 3.22Å; K338-K342 VanDerWaalsContact O-N 3.07Å
339	R	82.2	Confident	79.7	Confident	141 Å²	141	73.8 Å²	73.8	53%	0.532	37%	0.371	S	S	.	.	H	α-helix	trans	-67.9	-41.5	174.8	-68.4	179.1	177.5	-176.8	-0.7	110.5	P273 Q335 A336 Q337 L343	P273-R339 HydrophobicContact CG-CB 4.26Å; Q335-R339 PolarHBondContact O-N 3.2Å; A336-R339 WeakPolarHBondContact O-CA 3.22Å; A336-R339 WeakPolarHBondContact O-CB 3.02Å; A336-R339 PolarHBondContact O-N 3.11Å; Q337-R339 VanDerWaalsContact C-N 3.29Å; Q337-R339 PolarHBondContact O-N 3.46Å; R339-L343 PolarHBondContact O-N 3.06Å
340	F	85.1	Confident	80.1	Confident	1 Å²	1	74.6 Å²	74.6	0%	0.004	37%	0.371	C	S	.	.	H	α-helix	trans	-67.4	-41.7	174.1	-67.7	-70.5	0	0	0	112.5	P273 L276 Y327 M332 A336 Q337 K342 L343 L344 L398	P273-F340 HydrophobicContact CG-CD1 4.23Å; P273-F340 HydrophobicContact CG-CE1 3.83Å; P273-F340 HydrophobicContact CG-CZ 4.01Å; L276-F340 HydrophobicContact CD1-CD1 3.72Å; L276-F340 HydrophobicContact CD1-CE1 3.61Å; Y327-F340 HydrophobicContact CD1-CZ 4.24Å; Y327-F340 HydrophobicContact CD2-CE1 4.02Å; Y327-F340 HydrophobicContact CD2-CZ 4.07Å; Y327-F340 HydrophobicContact CE1-CZ 4.5Å; Y327-F340 HydrophobicContact CE2-CE1 4.23Å; Y327-F340 HydrophobicContact CE2-CZ 4.35Å; Y327-F340 HydrophobicContact CG-CE1 4.45Å; Y327-F340 HydrophobicContact CG-CZ 4.06Å; M332-F340 HydrophobicContact CE-CE2 4Å; M332-F340 HydrophobicContact CE-CZ 4.49Å; M332-F340 HydrophobicContact SD-CD2 4.3Å; M332-F340 HydrophobicContact SD-CE2 3.75Å; A336-F340 VanDerWaalsContact O-CD2 3.24Å; A336-F340 WeakPolarHBondContact O-CD2 3.26Å; A336-F340 PolarHBondContact O-N 3.45Å; Q337-F340 PolarHBondContact O-N 3.29Å; Q337-F340 VanDerWaalsContact O-N 3.15Å; F340-K342 VanDerWaalsContact C-N 3.33Å; F340-K342 PolarHBondContact O-N 2.82Å; F340-L343 WeakPolarHBondContact O-CB 3.26Å; F340-L343 PolarHBondContact O-N 2.91Å; F340-L343 VanDerWaalsContact O-N 3.1Å; F340-L344 PolarHBondContact O-N 3.44Å; F340-L398 HydrophobicContact CB-CD2 4.02Å; F340-L398 HydrophobicContact CB-CG 4.15Å; F340-L398 HydrophobicContact CD1-CD2 3.87Å; F340-L398 HydrophobicContact CD2-CD1 4.33Å; F340-L398 HydrophobicContact CE1-CD2 4.48Å; F340-L398 HydrophobicContact CG-CD1 4.45Å; F340-L398 HydrophobicContact CG-CD2 3.91Å; F340-L398 HydrophobicContact CG-CG 4.24Å
341	A	83.1	Confident	80.4	Confident	7 Å²	7	79 Å²	79	6%	0.058	39%	0.389	C	S	.	.	H	α-helix	trans	-62.5	-36.5	176.5	0	0	0	0	0	113	Q337 L343 L344 N345 T399	Q337-A341 PolarHBondContact O-N 2.84Å; A341-L343 VanDerWaalsContact C-N 3.31Å; A341-L343 PolarHBondContact O-N 3.31Å; A341-L344 CarbonylContact O-C 3.27Å; A341-N345 WeakPolarHBondContact O-CA 3.23Å; A341-N345 PolarHBondContact O-N 2.81Å; A341-N345 VanDerWaalsContact O-N 3.16Å; A341-T399 HydrophobicContact CB-CG2 4.19Å
342	K	83.9	Confident	81	Confident	163 Å²	163	72.8 Å²	72.8	71%	0.709	35%	0.349	S	S	*	.	H	α-helix	trans	-62.5	-38.4	172.7	-77.3	176.3	-178.5	-174.1	0	112.6	K338 F340 N345	K338-K342 VanDerWaalsContact O-CG 3.3Å; K338-K342 WeakPolarHBondContact O-CG 3.36Å; K338-K342 PolarHBondContact O-N 3.22Å; K338-K342 VanDerWaalsContact O-N 3.07Å; F340-K342 VanDerWaalsContact C-N 3.33Å; F340-K342 PolarHBondContact O-N 2.82Å; K342-N345 PolarHBondContact O-ND2 2.8Å
343	L	83	Confident	81.5	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.141	35%	0.347	C	S	.	.	H	α-helix	trans	-72.4	-53	179	-179.6	70.9	0	0	0	111.2	P273 L276 N277 L280 R339 F340 A341 N345	P273-L343 WeakPolarHBondContact O-CD2 3.39Å; L276-L343 HydrophobicContact CB-CD2 3.47Å; L276-L343 VanDerWaalsContact CB-CD2 3.47Å; L276-L343 HydrophobicContact CD1-CD2 4.34Å; N277-L343 HydrophobicContact CB-CD1 3.49Å; N277-L343 VanDerWaalsContact CB-CD1 3.49Å; N277-L343 HydrophobicContact CB-CD2 4.45Å; N277-L343 WeakPolarHBondContact OD1-CD1 3.39Å; L280-L343 HydrophobicContact CD1-CD2 4.41Å; L280-L343 HydrophobicContact CD1-CG 4.3Å; R339-L343 PolarHBondContact O-N 3.06Å; F340-L343 WeakPolarHBondContact O-CB 3.26Å; F340-L343 PolarHBondContact O-N 2.91Å; F340-L343 VanDerWaalsContact O-N 3.1Å; A341-L343 VanDerWaalsContact C-N 3.31Å; A341-L343 PolarHBondContact O-N 3.31Å; L343-N345 PolarHBondContact O-N 2.93Å
344	L	83.6	Confident	81.8	Confident	9 Å²	9	72.7 Å²	72.7	5%	0.047	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	44.9	179.4	-63.2	173.8	0	0	0	111	L280 I324 F340 A341 M349 F391 L398 T399	L280-L344 HydrophobicContact CD1-CD2 3.77Å; I324-L344 HydrophobicContact CD1-CD1 4.44Å; F340-L344 PolarHBondContact O-N 3.44Å; A341-L344 CarbonylContact O-C 3.27Å; L344-M349 HydrophobicContact CD2-SD 4.43Å; L344-F391 HydrophobicContact CD2-CZ 3.82Å; L344-L398 HydrophobicContact CD1-CD2 4.21Å; L344-T399 HydrophobicContact CB-CG2 3.99Å; L344-T399 HydrophobicContact CD1-CG2 4.32Å
345	N	82.7	Confident	81.8	Confident	56 Å²	56	63.2 Å²	63.2	30%	0.299	32%	0.315	S	S	.	.			trans	-70.6	163.8	179.9	65	50.2	0	0	0	111.5	A341 K342 L343 K347 V348 M349	A341-N345 WeakPolarHBondContact O-CA 3.23Å; A341-N345 PolarHBondContact O-N 2.81Å; A341-N345 VanDerWaalsContact O-N 3.16Å; K342-N345 PolarHBondContact O-ND2 2.8Å; L343-N345 PolarHBondContact O-N 2.93Å; N345-K347 PolarHBondContact O-N 2.87Å; N345-K347 VanDerWaalsContact O-N 3.1Å; N345-K347 WeakPolarHBondContact OD1-CB 3.44Å; N345-K347 PolarHBondContact OD1-N 3.21Å; N345-K347 VanDerWaalsContact OD1-N 3.09Å; N345-V348 PolarHBondContact O-N 3.21Å; N345-V348 PolarHBondContact OD1-N 3.21Å; N345-M349 WeakPolarHBondContact O-CG 3.11Å; N345-M349 PolarHBondContact O-N 3.31Å
346	A	78.7	Confident	82	Confident	53 Å²	53	57.5 Å²	57.5	44%	0.438	29%	0.288	S	S	.	.	H	α-helix	trans	-50.4	-39.7	179.6	0	0	0	0	0	113.4	V348 M349 D350	A346-V348 PolarHBondContact O-N 3.34Å; A346-M349 CarbonylContact O-C 3.59Å; A346-M349 PolarHBondContact O-N 3.48Å; A346-D350 WeakPolarHBondContact O-CB 3.42Å; A346-D350 PolarHBondContact O-N 2.92Å; A346-D350 VanDerWaalsContact O-OD2 3.13Å
347	K	81.9	Confident	82	Confident	165 Å²	165	59 Å²	59	72%	0.717	30%	0.296	S	S	*	.	H	α-helix	trans	-65.3	-37.9	179.7	-60.7	-179.5	178.4	179.3	0	113	N345 K351	N345-K347 PolarHBondContact O-N 2.87Å; N345-K347 VanDerWaalsContact O-N 3.1Å; N345-K347 WeakPolarHBondContact OD1-CB 3.44Å; N345-K347 PolarHBondContact OD1-N 3.21Å; N345-K347 VanDerWaalsContact OD1-N 3.09Å; K347-K351 WeakPolarHBondContact O-CG 3.44Å; K347-K351 PolarHBondContact O-N 2.49Å
348	V	84	Confident	81.8	Confident	28 Å²	28	55.9 Å²	55.9	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-44	175.5	173.3	0	0	0	0	109.2	F284 N345 A346 D350 K351 V352	F284-V348 HydrophobicContact CE2-CG1 4.12Å; F284-V348 HydrophobicContact CZ-CG1 4.03Å; N345-V348 PolarHBondContact O-N 3.21Å; N345-V348 PolarHBondContact OD1-N 3.21Å; A346-V348 PolarHBondContact O-N 3.34Å; V348-D350 PolarHBondContact O-N 3.44Å; V348-K351 WeakPolarHBondContact O-CB 3.37Å; V348-K351 PolarHBondContact O-N 3.34Å; V348-V352 WeakPolarHBondContact O-CG2 3.47Å; V348-V352 PolarHBondContact O-N 3.44Å
349	M	83.6	Confident	81.3	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-39.7	177.3	-61.1	-54.9	-74.9	0	0	112.4	L344 N345 A346 K351 V352 N353 F391 F392 S395 P404	L344-M349 HydrophobicContact CD2-SD 4.43Å; N345-M349 WeakPolarHBondContact O-CG 3.11Å; N345-M349 PolarHBondContact O-N 3.31Å; A346-M349 CarbonylContact O-C 3.59Å; A346-M349 PolarHBondContact O-N 3.48Å; M349-K351 VanDerWaalsContact C-N 3.34Å; M349-K351 PolarHBondContact O-N 2.72Å; M349-V352 PolarHBondContact O-N 3.01Å; M349-N353 WeakPolarHBondContact O-CB 2.92Å; M349-N353 PolarHBondContact O-N 3.48Å; M349-F391 HydrophobicContact CE-CD1 4.47Å; M349-F391 HydrophobicContact CE-CE1 4.05Å; M349-F391 HydrophobicContact SD-CE1 3.99Å; M349-F392 HydrophobicContact CE-CD1 3.59Å; M349-F392 HydrophobicContact CE-CE1 4.16Å; M349-S395 WeakPolarHBondContact CE-OG 3.24Å; M349-P404 HydrophobicContact CB-CG 4.4Å
350	D	82.8	Confident	80.4	Confident	73 Å²	73	51.3 Å²	51.3	39%	0.39	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-38.8	175.4	-68.5	-28.1	0	0	0	111.8	A346 V348 N353 A354	A346-D350 WeakPolarHBondContact O-CB 3.42Å; A346-D350 PolarHBondContact O-N 2.92Å; A346-D350 VanDerWaalsContact O-OD2 3.13Å; V348-D350 PolarHBondContact O-N 3.44Å; D350-N353 PolarHBondContact O-N 3.02Å; D350-A354 WeakPolarHBondContact O-CB 3.17Å; D350-A354 PolarHBondContact O-N 3.18Å
351	K	82.8	Confident	79.2	Confident	119 Å²	119	53.8 Å²	53.8	52%	0.517	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-44.5	173.1	-73.8	174.8	-178.7	-174.7	0	111.3	F284 W288 K347 V348 M349 A354	F284-K351 HydrophobicContact CE1-CB 3.99Å; F284-K351 HydrophobicContact CZ-CB 4.19Å; W288-K351 HydrophobicContact CH2-CB 4.06Å; W288-K351 WeakPolarHBondContact CH2-O 3.4Å; K347-K351 WeakPolarHBondContact O-CG 3.44Å; K347-K351 PolarHBondContact O-N 2.49Å; V348-K351 WeakPolarHBondContact O-CB 3.37Å; V348-K351 PolarHBondContact O-N 3.34Å; M349-K351 VanDerWaalsContact C-N 3.34Å; M349-K351 PolarHBondContact O-N 2.72Å; K351-A354 PolarHBondContact O-N 3.18Å
352	V	83.9	Confident	77.6	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-43.7	177	178.8	0	0	0	0	110.4	W283 F284 V348 M349 A354 L355 L388 F392	W283-V352 HydrophobicContact CE3-CG2 4.45Å; W283-V352 HydrophobicContact CH2-CB 4.29Å; W283-V352 HydrophobicContact CH2-CG1 3.74Å; W283-V352 HydrophobicContact CH2-CG2 4.34Å; W283-V352 HydrophobicContact CZ3-CB 4.19Å; W283-V352 HydrophobicContact CZ3-CG1 4.04Å; W283-V352 HydrophobicContact CZ3-CG2 3.78Å; F284-V352 HydrophobicContact CE1-CG2 3.97Å; F284-V352 HydrophobicContact CZ-CG2 3.76Å; V348-V352 WeakPolarHBondContact O-CG2 3.47Å; V348-V352 PolarHBondContact O-N 3.44Å; M349-V352 PolarHBondContact O-N 3.01Å; V352-A354 VanDerWaalsContact C-N 3.32Å; V352-A354 PolarHBondContact O-N 2.96Å; V352-L355 WeakPolarHBondContact O-CB 3.4Å; V352-L355 PolarHBondContact O-N 3.14Å; V352-L355 VanDerWaalsContact O-N 3.15Å; V352-L388 HydrophobicContact CG1-CD2 3.87Å; V352-F392 HydrophobicContact CB-CE1 4.13Å; V352-F392 HydrophobicContact CG1-CE1 3.58Å; V352-F392 HydrophobicContact CG1-CZ 3.78Å
353	N	83	Confident	75.5	Confident	19 Å²	19	57.6 Å²	57.6	10%	0.102	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-31.7	178.4	-169.7	38.8	0	0	0	112.8	M349 D350 L355 F356 F392 C407 N410	M349-N353 WeakPolarHBondContact O-CB 2.92Å; M349-N353 PolarHBondContact O-N 3.48Å; D350-N353 PolarHBondContact O-N 3.02Å; N353-L355 PolarHBondContact O-N 2.93Å; N353-L355 VanDerWaalsContact O-N 3.16Å; N353-F356 WeakPolarHBondContact O-CB 3.39Å; N353-F356 PolarHBondContact O-N 3.25Å; N353-F392 HydrophobicContact CB-CZ 4.4Å; N353-C407 HydrophobicContact CB-CB 4.48Å; N353-C407 WeakPolarHBondContact CB-SG 3.45Å; N353-C407 PolarHBondContact ND2-SG 2.86Å; N353-N410 PolarHBondContact ND2-ND2 2.81Å; N353-N410 PolarHBondContact OD1-ND2 2.94Å
354	A	80	Confident	73.1	Confident	75 Å²	75	61.9 Å²	61.9	62%	0.62	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.4	174.4	0	0	0	0	0	113.7	D350 K351 V352	D350-A354 WeakPolarHBondContact O-CB 3.17Å; D350-A354 PolarHBondContact O-N 3.18Å; K351-A354 PolarHBondContact O-N 3.18Å; V352-A354 VanDerWaalsContact C-N 3.32Å; V352-A354 PolarHBondContact O-N 2.96Å
355	L	77.8	Confident	70.8	Confident	9 Å²	9	67.6 Å²	67.6	5%	0.047	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.8	172.6	-74	171.6	0	0	0	113.5	W283 A287 W288 V352 N353 P357 I358	W283-L355 HydrophobicContact CE3-CD1 4.49Å; W283-L355 HydrophobicContact CH2-CB 4.24Å; W283-L355 HydrophobicContact CH2-CD1 3.2Å; W283-L355 HydrophobicContact CH2-CG 4.34Å; W283-L355 HydrophobicContact CZ2-CD1 4.04Å; W283-L355 HydrophobicContact CZ3-CD1 3.47Å; W283-L355 VanDerWaalsContact CZ3-CD1 3.47Å; A287-L355 HydrophobicContact CB-CD1 3.55Å; W288-L355 HydrophobicContact CE3-CD1 3.76Å; W288-L355 HydrophobicContact CE3-CG 4.43Å; W288-L355 HydrophobicContact CH2-CD1 3.81Å; W288-L355 HydrophobicContact CH2-CG 3.92Å; W288-L355 HydrophobicContact CZ3-CD1 3.18Å; W288-L355 HydrophobicContact CZ3-CD2 4.35Å; W288-L355 HydrophobicContact CZ3-CG 3.78Å; V352-L355 WeakPolarHBondContact O-CB 3.4Å; V352-L355 PolarHBondContact O-N 3.14Å; V352-L355 VanDerWaalsContact O-N 3.15Å; N353-L355 PolarHBondContact O-N 2.93Å; N353-L355 VanDerWaalsContact O-N 3.16Å; L355-P357 CarbonylContact O-C 3.54Å; L355-I358 VanDerWaalsContact O-CG1 3.3Å; L355-I358 WeakPolarHBondContact O-CG1 3.23Å; L355-I358 PolarHBondContact O-N 3.38Å
356	F	80.5	Confident	68.3	Low	23 Å²	23	73.7 Å²	73.7	10%	0.101	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-92.3	134.9	-172.4	-177.6	-93.3	0	0	0	111.5	N353 N385 L388 F392 N410 Y414	N353-F356 WeakPolarHBondContact O-CB 3.39Å; N353-F356 PolarHBondContact O-N 3.25Å; F356-N385 HydrophobicContact CE2-CB 4Å; F356-L388 HydrophobicContact CD2-CB 4.21Å; F356-L388 HydrophobicContact CD2-CD1 4.03Å; F356-L388 HydrophobicContact CE2-CB 4.47Å; F356-F392 HydrophobicContact CD2-CE2 4.26Å; F356-F392 HydrophobicContact CG-CE2 4.31Å; F356-N410 HydrophobicContact CD1-CB 4.17Å; F356-N410 HydrophobicContact CE1-CB 4.15Å; F356-Y414 HydrophobicContact CE1-CG 4.12Å; F356-Y414 HydrophobicContact CE2-CD1 4.21Å; F356-Y414 HydrophobicContact CE2-CG 4.43Å; F356-Y414 AromaticContact CZ-CD1 3.64Å; F356-Y414 HydrophobicContact CZ-CD1 3.64Å; F356-Y414 HydrophobicContact CZ-CD2 4.26Å; F356-Y414 HydrophobicContact CZ-CE1 4.41Å; F356-Y414 AromaticContact CZ-CG 3.55Å; F356-Y414 HydrophobicContact CZ-CG 3.55Å
357	P	76.9	Confident	65.8	Low	52 Å²	52	75 Å²	75	34%	0.338	40%	0.397	S	S	.	.	S	Bend	cis	-83.7	141.5	-4.7	33	-33.6	0	0	0	112.8	L355 Y414	L355-P357 CarbonylContact O-C 3.54Å; P357-Y414 HydrophobicContact CB-CD2 3.97Å; P357-Y414 HydrophobicContact CB-CE2 3.8Å; P357-Y414 HydrophobicContact CG-CD2 4.43Å; P357-Y414 HydrophobicContact CG-CE2 4.49Å
358	I	76.7	Confident	63.4	Low	4 Å²	4	72.5 Å²	72.5	2%	0.021	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-74	135	176.7	-66.4	-179.2	0	0	0	110.1	W283 F305 L310 M313 L355 V384 N385 L388	W283-I358 HydrophobicContact CZ2-CD1 4.28Å; F305-I358 HydrophobicContact CD2-CG2 3.53Å; F305-I358 HydrophobicContact CE2-CG1 4.49Å; F305-I358 HydrophobicContact CE2-CG2 3.82Å; F305-I358 HydrophobicContact CG-CG2 4.41Å; L310-I358 HydrophobicContact CD2-CG2 3.64Å; M313-I358 HydrophobicContact SD-CD1 3.92Å; L355-I358 VanDerWaalsContact O-CG1 3.3Å; L355-I358 WeakPolarHBondContact O-CG1 3.23Å; L355-I358 PolarHBondContact O-N 3.38Å; I358-V384 HydrophobicContact CB-CG1 4.34Å; I358-V384 HydrophobicContact CD1-CG1 3.67Å; I358-V384 HydrophobicContact CG1-CG1 4.49Å; I358-V384 HydrophobicContact CG2-CG1 4.48Å; I358-N385 WeakPolarHBondContact CB-OD1 3.38Å; I358-N385 PolarHBondContact N-OD1 3.48Å; I358-N385 PolarHBondContact O-ND2 2.64Å; I358-L388 HydrophobicContact CD1-CD1 3.81Å; I358-L388 HydrophobicContact CG1-CD1 4.25Å
359	R	71.4	Confident	60.6	Low	93 Å²	93	77 Å²	77	35%	0.351	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.1	-179	-59.4	-175.9	-176.2	-162.6	-4.3	111.7	S304 F305 E365	S304-R359 WeakPolarHBondContact CA-O 3.41Å; F305-R359 PolarHBondContact N-O 3.39Å; F305-R359 VanDerWaalsContact N-O 3.09Å; R359-E365 IonicContact CZ-OE2 2.7Å; R359-E365 IonicContact NH1-OE1 3.45Å; R359-E365 IonicContact NH1-OE2 3.84Å; R359-E365 PolarHBondContact NH1-OE2 3.45Å; R359-E365 IonicContact NH2-OE2 3.13Å
360	R	64	Low	58	Low	93 Å²	93	85.6 Å²	85.6	35%	0.351	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	145.9	175.7	-165.6	178.4	-178.4	163.2	8.6	111	E307 L310 G362 C381	E307-R360 IonicContact OE2-CZ 3.4Å; E307-R360 IonicContact OE2-NH2 2.64Å; E307-R360 PolarHBondContact OE2-NH2 2.73Å; L310-R360 HydrophobicContact CD1-CG 4.44Å; R360-G362 PolarHBondContact O-N 3Å; R360-C381 PolarHBondContact N-SG 3.14Å
361	S	59	Low	55.3	Low	54 Å²	54	88.2 Å²	88.2	38%	0.378	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	126.5	168.4	72.7	0	0	0	0	112.3	S304 F305	S304-S361 VanDerWaalsContact OG-CA 3.23Å; S304-S361 WeakPolarHBondContact OG-CA 3.47Å; S304-S361 WeakPolarHBondContact OG-CB 3.39Å; F305-S361 PolarHBondContact O-N 3.38Å; F305-S361 VanDerWaalsContact O-N 3.08Å
362	G	49.2	Very low	52.8	Low	79 Å²	79	89.5 Å²	89.5	81%	0.814	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.1	7.9	170.4	0	0	0	0	0	117.5	R360	R360-G362 PolarHBondContact O-N 3Å
363	R	40.1	Very low	50.1	Low	171 Å²	171	92.1 Å²	92.1	65%	0.645	53%	0.527	S	S	*	.			trans	-108.7	98.4	166.3	-74.6	-172.3	-178.3	159.1	6.7	110.1	D379	R363-D379 IonicContact CZ-OD1 3.41Å; R363-D379 IonicContact CZ-OD2 3.28Å; R363-D379 IonicContact NH1-OD1 3.7Å; R363-D379 IonicContact NH1-OD2 3.84Å; R363-D379 PolarHBondContact NH1-OD2 3.16Å; R363-D379 IonicContact NH2-OD1 3.66Å; R363-D379 PolarHBondContact NH2-OD1 3.02Å; R363-D379 IonicContact NH2-OD2 3Å
364	T	31.7	Very low	47.5	Very low	117 Å²	117	100.1 Å²	100.1	72%	0.718	56%	0.561	S	S	*	*			trans	-78.4	122.3	162.5	45.3	0	0	0	0	108.1	H366	T364-H366 PolarHBondContact O-N 2.89Å
365	E	36.8	Very low	45.2	Very low	129 Å²	129	101.3 Å²	101.3	60%	0.603	56%	0.563	S	S	*	*	S	Bend	trans	-69.2	29.5	179.1	-72.4	-178.3	135.7	0	0	113.4	R359	R359-E365 IonicContact CZ-OE2 2.7Å; R359-E365 IonicContact NH1-OE1 3.45Å; R359-E365 IonicContact NH1-OE2 3.84Å; R359-E365 PolarHBondContact NH1-OE2 3.45Å; R359-E365 IonicContact NH2-OE2 3.13Å
366	H	30	Very low	43.2	Very low	183 Å²	183	110.2 Å²	110.2	85%	0.847	60%	0.598	S	S	*	*			trans	-117.1	27.5	178.7	-75.1	28.1	0	0	0	113.3	T364	T364-H366 PolarHBondContact O-N 2.89Å
367	S	25.5	Very low	41.1	Very low	80 Å²	80	113.2 Å²	113.2	56%	0.559	62%	0.618	S	S	*	*			trans	-115.3	92.6	160.7	68.4	0	0	0	0	109	D369	S367-D369 PolarHBondContact O-N 3.46Å
368	S	30.9	Very low	39.8	Very low	113 Å²	113	114.6 Å²	114.6	79%	0.79	63%	0.625	S	S	*	*			trans	-63	72.1	151.3	52.7	0	0	0	0	108.6
369	D	25.8	Very low	39.5	Very low	123 Å²	123	116.3 Å²	116.3	66%	0.658	63%	0.634	S	S	*	*			trans	-118.1	110.2	178.1	-88.5	-29	0	0	0	111.2	S367 T371	S367-D369 PolarHBondContact O-N 3.46Å; D369-T371 PolarHBondContact O-N 3.26Å
370	H	29.4	Very low	39.7	Very low	187 Å²	187	112.7 Å²	112.7	87%	0.866	62%	0.623	S	S	*	*			trans	-64.6	31.6	176.3	-83.2	-78.3	0	0	0	114.7	V372	H370-V372 PolarHBondContact O-N 3.05Å
371	T	25.6	Very low	40.4	Very low	127 Å²	127	109 Å²	109	78%	0.779	61%	0.611	S	S	*	*			trans	-89.2	100	176.7	49	0	0	0	0	110.9	D369 G373	D369-T371 PolarHBondContact O-N 3.26Å; T371-G373 PolarHBondContact O-N 3.19Å
372	V	30.4	Very low	41.5	Very low	146 Å²	146	107 Å²	107	89%	0.885	60%	0.596	S	S	*	*			trans	-60.3	75	171.5	-178.2	0	0	0	0	109.8	H370	H370-V372 PolarHBondContact O-N 3.05Å
373	G	26.8	Very low	43	Very low	57 Å²	57	104.8 Å²	104.8	59%	0.588	57%	0.565	S	S	*	*			trans	-104.1	107.9	164.1	0	0	0	0	0	108.4	T371 C375	T371-G373 PolarHBondContact O-N 3.19Å; G373-C375 PolarHBondContact O-N 3.15Å
374	K	29	Very low	45.1	Very low	187 Å²	187	96.6 Å²	96.6	81%	0.813	54%	0.535	S	S	*	.			trans	-56.3	81.2	171.5	-70.2	174.1	176.1	175	0	110.7	Y376	K374-Y376 HydrophobicContact CB-CD2 4.5Å; K374-Y376 PolarHBondContact O-N 2.88Å
375	C	31.8	Very low	47.7	Very low	100 Å²	100	91.2 Å²	91.2	68%	0.676	50%	0.501	S	S	*	.			trans	-92.5	80.8	167.7	-85.7	0	0	0	0	108.9	G373 V377	G373-C375 PolarHBondContact O-N 3.15Å; C375-V377 HydrophobicContact CB-CG2 4.34Å; C375-V377 PolarHBondContact O-N 2.93Å
376	Y	34.9	Very low	50	Low	196 Å²	196	85 Å²	85	77%	0.769	47%	0.472	S	S	*	.			trans	-72.1	32.8	156.9	-76.3	-84.2	0	0	0	111.2	K374 T378	K374-Y376 HydrophobicContact CB-CD2 4.5Å; K374-Y376 PolarHBondContact O-N 2.88Å; Y376-T378 PolarHBondContact O-N 2.89Å; Y376-T378 VanDerWaalsContact O-N 3.11Å
377	V	37.6	Very low	52.6	Low	87 Å²	87	76.3 Å²	76.3	53%	0.527	43%	0.432	S	S	.	.			trans	-74.7	107.6	170.5	-178.5	0	0	0	0	104.3	C375 D379	C375-V377 HydrophobicContact CB-CG2 4.34Å; C375-V377 PolarHBondContact O-N 2.93Å; V377-D379 VanDerWaalsContact C-N 3.35Å; V377-D379 PolarHBondContact O-N 3.47Å
378	T	49.9	Very low	55.6	Low	81 Å²	81	72.5 Å²	72.5	50%	0.497	41%	0.405	S	S	.	.			trans	-36.3	98	170	48.4	0	0	0	0	109.1	Y376 T380	Y376-T378 PolarHBondContact O-N 2.89Å; Y376-T378 VanDerWaalsContact O-N 3.11Å; T378-T380 VanDerWaalsContact C-N 3.28Å; T378-T380 PolarHBondContact O-N 2.64Å
379	D	69.4	Low	58.2	Low	39 Å²	39	67.1 Å²	67.1	21%	0.209	37%	0.368	C	S	.	.			trans	-67.1	98.4	-179.7	-94.4	-16	0	0	0	104.9	R363 V377 C381 I382 D383	R363-D379 IonicContact CZ-OD1 3.41Å; R363-D379 IonicContact CZ-OD2 3.28Å; R363-D379 IonicContact NH1-OD1 3.7Å; R363-D379 IonicContact NH1-OD2 3.84Å; R363-D379 PolarHBondContact NH1-OD2 3.16Å; R363-D379 IonicContact NH2-OD1 3.66Å; R363-D379 PolarHBondContact NH2-OD1 3.02Å; R363-D379 IonicContact NH2-OD2 3Å; V377-D379 VanDerWaalsContact C-N 3.35Å; V377-D379 PolarHBondContact O-N 3.47Å; D379-C381 PolarHBondContact O-N 2.8Å; D379-I382 HydrophobicContact CB-CB 4.42Å; D379-I382 HydrophobicContact CB-CD1 3.78Å; D379-I382 HydrophobicContact CB-CG1 3.79Å; D379-I382 WeakPolarHBondContact O-CA 3.43Å; D379-I382 WeakPolarHBondContact O-CB 3.07Å; D379-I382 PolarHBondContact O-N 2.82Å; D379-D383 PolarHBondContact O-N 3.48Å
380	T	76.6	Confident	61.1	Low	17 Å²	17	61.3 Å²	61.3	10%	0.104	34%	0.337	C	S	.	.	H	α-helix	trans	-53.2	-24.7	178.5	48.7	0	0	0	0	111.5	T378 D383 V384	T378-T380 VanDerWaalsContact C-N 3.28Å; T378-T380 PolarHBondContact O-N 2.64Å; T380-D383 PolarHBondContact O-N 3.4Å; T380-V384 VanDerWaalsContact O-CG2 3.31Å; T380-V384 WeakPolarHBondContact O-CG2 3.48Å; T380-V384 PolarHBondContact O-N 3.09Å
381	C	78.9	Confident	63.8	Low	15 Å²	15	52.5 Å²	52.5	10%	0.101	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-41	170.1	-65.7	0	0	0	0	113.5	L310 R360 D379 D383 V384 N385	L310-C381 VanDerWaalsContact CD1-SG 3.55Å; R360-C381 PolarHBondContact N-SG 3.14Å; D379-C381 PolarHBondContact O-N 2.8Å; C381-D383 VanDerWaalsContact C-N 3.32Å; C381-V384 PolarHBondContact O-N 3.11Å; C381-N385 WeakPolarHBondContact O-CB 3.28Å; C381-N385 VanDerWaalsContact O-CG 3.22Å; C381-N385 PolarHBondContact O-N 3.24Å; C381-N385 PolarHBondContact O-ND2 2.77Å
382	I	80.5	Confident	66.8	Low	14 Å²	14	46.5 Å²	46.5	7%	0.072	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-46.9	174.7	-62.3	176.6	0	0	0	108.5	D379 V384 N385 V386 L418 Q428	D379-I382 HydrophobicContact CB-CB 4.42Å; D379-I382 HydrophobicContact CB-CD1 3.78Å; D379-I382 HydrophobicContact CB-CG1 3.79Å; D379-I382 WeakPolarHBondContact O-CA 3.43Å; D379-I382 WeakPolarHBondContact O-CB 3.07Å; D379-I382 PolarHBondContact O-N 2.82Å; I382-V384 PolarHBondContact O-N 3.38Å; I382-N385 PolarHBondContact O-N 3.1Å; I382-V386 HydrophobicContact CG2-CG2 4.07Å; I382-V386 WeakPolarHBondContact O-CB 3.21Å; I382-V386 VanDerWaalsContact O-CG2 3.27Å; I382-V386 WeakPolarHBondContact O-CG2 3.48Å; I382-V386 PolarHBondContact O-N 2.89Å; I382-L418 HydrophobicContact CD1-CD2 4.39Å; I382-L418 HydrophobicContact CG1-CD2 4.31Å; I382-L418 HydrophobicContact CG2-CD1 4.04Å; I382-Q428 HydrophobicContact CG2-CG 4.37Å
383	D	81.6	Confident	69.3	Low	31 Å²	31	39.8 Å²	39.8	17%	0.166	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-42.5	-179.6	-60.1	-16.2	0	0	0	112	I314 D379 T380 C381 A387 Q428	I314-D383 HydrophobicContact CD1-CB 3.87Å; D379-D383 PolarHBondContact O-N 3.48Å; T380-D383 PolarHBondContact O-N 3.4Å; C381-D383 VanDerWaalsContact C-N 3.32Å; D383-A387 WeakPolarHBondContact O-CB 3.46Å; D383-A387 PolarHBondContact O-N 3.17Å; D383-Q428 WeakPolarHBondContact OD1-CG 3.4Å; D383-Q428 PolarHBondContact OD1-NE2 3.26Å
384	V	84.9	Confident	71.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-48.9	173.6	173.8	0	0	0	0	111	L310 M313 I314 L317 I358 T380 C381 I382 V386 A387 L388	L310-V384 HydrophobicContact CB-CG2 4.43Å; L310-V384 HydrophobicContact CD2-CG2 4.03Å; M313-V384 HydrophobicContact CB-CG2 4.35Å; I314-V384 HydrophobicContact CD1-CG2 3.91Å; I314-V384 HydrophobicContact CG1-CB 4.33Å; I314-V384 HydrophobicContact CG1-CG2 3.28Å; L317-V384 HydrophobicContact CD1-CG1 4.12Å; I358-V384 HydrophobicContact CB-CG1 4.34Å; I358-V384 HydrophobicContact CD1-CG1 3.67Å; I358-V384 HydrophobicContact CG1-CG1 4.49Å; I358-V384 HydrophobicContact CG2-CG1 4.48Å; T380-V384 VanDerWaalsContact O-CG2 3.31Å; T380-V384 WeakPolarHBondContact O-CG2 3.48Å; T380-V384 PolarHBondContact O-N 3.09Å; C381-V384 PolarHBondContact O-N 3.11Å; I382-V384 PolarHBondContact O-N 3.38Å; V384-V386 PolarHBondContact O-N 2.94Å; V384-A387 WeakPolarHBondContact O-CB 3.45Å; V384-A387 PolarHBondContact O-N 3Å; V384-L388 HydrophobicContact CG1-CD1 4.28Å; V384-L388 WeakPolarHBondContact O-CG 3.13Å; V384-L388 PolarHBondContact O-N 2.84Å
385	N	86.5	Confident	74.5	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-36.6	-176.2	-71.7	-35.7	0	0	0	112	F356 I358 C381 I382 L388 C389 Y414	F356-N385 HydrophobicContact CE2-CB 4Å; I358-N385 WeakPolarHBondContact CB-OD1 3.38Å; I358-N385 PolarHBondContact N-OD1 3.48Å; I358-N385 PolarHBondContact O-ND2 2.64Å; C381-N385 WeakPolarHBondContact O-CB 3.28Å; C381-N385 VanDerWaalsContact O-CG 3.22Å; C381-N385 PolarHBondContact O-N 3.24Å; C381-N385 PolarHBondContact O-ND2 2.77Å; I382-N385 PolarHBondContact O-N 3.1Å; N385-L388 WeakPolarHBondContact O-CB 2.95Å; N385-L388 PolarHBondContact O-N 3.42Å; N385-C389 PolarHBondContact O-N 3.22Å; N385-C389 PolarHBondContact O-SG 2.65Å; N385-Y414 HydrophobicContact CB-CD1 4.33Å; N385-Y414 HydrophobicContact CB-CE1 3.4Å; N385-Y414 VanDerWaalsContact CB-CE1 3.4Å; N385-Y414 WeakPolarHBondContact CB-OH 3.45Å; N385-Y414 PolarHBondContact ND2-OH 3.5Å
386	V	84.1	Confident	76.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.8	-39.2	173.2	179	0	0	0	0	110.6	F247 I382 V384 L388 C389 Y390 L415 L418 V432 V435	F247-V386 HydrophobicContact CD2-CG1 4.43Å; F247-V386 HydrophobicContact CE2-CB 4.35Å; F247-V386 HydrophobicContact CE2-CG1 3.92Å; I382-V386 HydrophobicContact CG2-CG2 4.07Å; I382-V386 WeakPolarHBondContact O-CB 3.21Å; I382-V386 VanDerWaalsContact O-CG2 3.27Å; I382-V386 WeakPolarHBondContact O-CG2 3.48Å; I382-V386 PolarHBondContact O-N 2.89Å; V384-V386 PolarHBondContact O-N 2.94Å; V386-L388 VanDerWaalsContact C-N 3.28Å; V386-L388 PolarHBondContact O-N 2.96Å; V386-C389 PolarHBondContact O-N 2.96Å; V386-Y390 PolarHBondContact O-N 2.92Å; V386-L415 HydrophobicContact CG2-CD2 4.22Å; V386-L418 HydrophobicContact CG2-CD1 4.32Å; V386-V432 HydrophobicContact CG1-CG2 4.44Å; V386-V432 HydrophobicContact CG2-CG2 3.77Å; V386-V435 HydrophobicContact CG1-CG2 3.86Å
387	A	85.2	Confident	79.1	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-37.7	172.5	0	0	0	0	0	112.4	F247 L317 N321 D383 V384 F391	F247-A387 HydrophobicContact CD1-CB 4.3Å; F247-A387 HydrophobicContact CE1-CB 3.36Å; F247-A387 HydrophobicContact CE2-CB 4.36Å; F247-A387 HydrophobicContact CZ-CB 3.41Å; F247-A387 VanDerWaalsContact CZ-CB 3.41Å; L317-A387 HydrophobicContact CB-CB 3.96Å; L317-A387 HydrophobicContact CD1-CB 3.99Å; N321-A387 PolarHBondContact ND2-O 3.49Å; N321-A387 VanDerWaalsContact ND2-O 3.09Å; D383-A387 WeakPolarHBondContact O-CB 3.46Å; D383-A387 PolarHBondContact O-N 3.17Å; V384-A387 WeakPolarHBondContact O-CB 3.45Å; V384-A387 PolarHBondContact O-N 3Å; A387-F391 WeakPolarHBondContact O-CB 3.23Å; A387-F391 PolarHBondContact O-N 3.28Å
388	L	87.7	Confident	81.2	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.2	-42.3	173.9	-75.7	173.7	0	0	0	112.1	W283 L317 V352 F356 I358 V384 N385 V386 Y390 F391 F392	W283-L388 HydrophobicContact CH2-CD2 4.28Å; W283-L388 HydrophobicContact CZ2-CD1 4.37Å; W283-L388 HydrophobicContact CZ2-CD2 3.74Å; L317-L388 HydrophobicContact CD1-CD2 3.74Å; L317-L388 HydrophobicContact CD1-CG 3.73Å; L317-L388 HydrophobicContact CD2-CD2 3.69Å; L317-L388 HydrophobicContact CG-CD2 4.39Å; V352-L388 HydrophobicContact CG1-CD2 3.87Å; F356-L388 HydrophobicContact CD2-CB 4.21Å; F356-L388 HydrophobicContact CD2-CD1 4.03Å; F356-L388 HydrophobicContact CE2-CB 4.47Å; I358-L388 HydrophobicContact CD1-CD1 3.81Å; I358-L388 HydrophobicContact CG1-CD1 4.25Å; V384-L388 HydrophobicContact CG1-CD1 4.28Å; V384-L388 WeakPolarHBondContact O-CG 3.13Å; V384-L388 PolarHBondContact O-N 2.84Å; N385-L388 WeakPolarHBondContact O-CB 2.95Å; N385-L388 PolarHBondContact O-N 3.42Å; V386-L388 VanDerWaalsContact C-N 3.28Å; V386-L388 PolarHBondContact O-N 2.96Å; L388-Y390 VanDerWaalsContact C-N 3.3Å; L388-Y390 PolarHBondContact O-N 3.01Å; L388-F391 WeakPolarHBondContact O-CB 3.48Å; L388-F391 PolarHBondContact O-N 3.2Å; L388-F392 HydrophobicContact CB-CE2 4.31Å; L388-F392 WeakPolarHBondContact O-CD2 3.41Å; L388-F392 VanDerWaalsContact O-CG 3.3Å; L388-F392 WeakPolarHBondContact O-CG 3.32Å; L388-F392 PolarHBondContact O-N 2.86Å
389	C	86	Confident	82.6	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.5	-44.8	174.5	-63.1	0	0	0	0	110.7	N385 V386 F392 V393 L415 V435	N385-C389 PolarHBondContact O-N 3.22Å; N385-C389 PolarHBondContact O-SG 2.65Å; V386-C389 PolarHBondContact O-N 2.96Å; C389-F392 PolarHBondContact O-N 2.96Å; C389-V393 WeakPolarHBondContact O-CG2 3.41Å; C389-V393 PolarHBondContact O-N 3.2Å; C389-L415 HydrophobicContact CB-CD1 4.14Å; C389-L415 HydrophobicContact CB-CD2 4.38Å; C389-L415 HydrophobicContact CB-CG 4.44Å; C389-V435 HydrophobicContact CB-CG1 3.87Å
390	Y	85.5	Confident	82.6	Confident	1 Å²	1	16.6 Å²	16.6	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-57.7	-49.4	173.4	-172.9	-88	0	0	0	111.1	F247 N321 D325 V386 L388 F392 V393 I394 V435 L438	F247-Y390 HydrophobicContact CB-CD1 4.39Å; F247-Y390 HydrophobicContact CB-CD2 3.91Å; F247-Y390 HydrophobicContact CB-CE1 4.5Å; F247-Y390 HydrophobicContact CB-CE2 4.03Å; F247-Y390 HydrophobicContact CB-CG 4.1Å; F247-Y390 PolarHBondContact O-OH 3.32Å; N321-Y390 HydrophobicContact CB-CD1 3.67Å; N321-Y390 HydrophobicContact CB-CE1 3.63Å; N321-Y390 WeakPolarHBondContact ND2-CD1 3.24Å; D325-Y390 WeakPolarHBondContact CB-OH 3.36Å; D325-Y390 VanDerWaalsContact CG-OH 3.32Å; D325-Y390 PolarHBondContact OD2-OH 2.97Å; V386-Y390 PolarHBondContact O-N 2.92Å; L388-Y390 VanDerWaalsContact C-N 3.3Å; L388-Y390 PolarHBondContact O-N 3.01Å; Y390-F392 VanDerWaalsContact C-N 3.32Å; Y390-F392 PolarHBondContact O-N 3.05Å; Y390-V393 PolarHBondContact O-N 3.16Å; Y390-V393 VanDerWaalsContact O-N 3.12Å; Y390-I394 HydrophobicContact CD1-CD1 3.7Å; Y390-I394 HydrophobicContact CD1-CG1 4.29Å; Y390-I394 HydrophobicContact CD1-CG2 3.86Å; Y390-I394 HydrophobicContact CE1-CB 4.4Å; Y390-I394 HydrophobicContact CE1-CD1 3.51Å; Y390-I394 HydrophobicContact CE1-CG1 4.27Å; Y390-I394 HydrophobicContact CE1-CG2 3.43Å; Y390-I394 VanDerWaalsContact CE1-CG2 3.43Å; Y390-I394 HydrophobicContact CE2-CG2 4.24Å; Y390-I394 HydrophobicContact CG-CG2 4.43Å; Y390-I394 WeakPolarHBondContact O-CG1 3.42Å; Y390-I394 PolarHBondContact O-N 2.94Å; Y390-V435 HydrophobicContact CD2-CG2 3.98Å; Y390-V435 HydrophobicContact CG-CG2 4.32Å; Y390-L438 HydrophobicContact CD2-CD1 3.57Å; Y390-L438 HydrophobicContact CE2-CD1 3.28Å
391	F	88	Confident	82.2	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-54.9	-43.6	177.7	178.4	-97.3	0	0	0	112.5	L280 L320 N321 I324 L344 M349 A387 L388 V393 I394 S395	L280-F391 HydrophobicContact CD2-CE2 4.44Å; L280-F391 HydrophobicContact CD2-CZ 3.93Å; L320-F391 HydrophobicContact CB-CD2 4.4Å; L320-F391 HydrophobicContact CB-CE2 4.38Å; L320-F391 HydrophobicContact CD1-CE2 4.32Å; N321-F391 WeakPolarHBondContact OD1-CA 3.38Å; N321-F391 WeakPolarHBondContact OD1-CB 3.45Å; I324-F391 HydrophobicContact CD1-CD2 3.8Å; I324-F391 HydrophobicContact CD1-CE2 3.42Å; I324-F391 VanDerWaalsContact CD1-CE2 3.42Å; I324-F391 HydrophobicContact CD1-CZ 4.41Å; L344-F391 HydrophobicContact CD2-CZ 3.82Å; M349-F391 HydrophobicContact CE-CD1 4.47Å; M349-F391 HydrophobicContact CE-CE1 4.05Å; M349-F391 HydrophobicContact SD-CE1 3.99Å; A387-F391 WeakPolarHBondContact O-CB 3.23Å; A387-F391 PolarHBondContact O-N 3.28Å; L388-F391 WeakPolarHBondContact O-CB 3.48Å; L388-F391 PolarHBondContact O-N 3.2Å; F391-V393 PolarHBondContact O-N 3.44Å; F391-I394 WeakPolarHBondContact O-CG1 3.46Å; F391-S395 VanDerWaalsContact O-CB 3.24Å; F391-S395 WeakPolarHBondContact O-CB 3.48Å; F391-S395 PolarHBondContact O-N 3.34Å; F391-S395 PolarHBondContact O-OG 3.27Å
392	F	86.9	Confident	81.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-41.7	177.1	-64.8	-42.6	0	0	0	112.6	M349 V352 N353 F356 L388 C389 Y390 S395 E396 C407 L408	M349-F392 HydrophobicContact CE-CD1 3.59Å; M349-F392 HydrophobicContact CE-CE1 4.16Å; V352-F392 HydrophobicContact CB-CE1 4.13Å; V352-F392 HydrophobicContact CG1-CE1 3.58Å; V352-F392 HydrophobicContact CG1-CZ 3.78Å; N353-F392 HydrophobicContact CB-CZ 4.4Å; F356-F392 HydrophobicContact CD2-CE2 4.26Å; F356-F392 HydrophobicContact CG-CE2 4.31Å; L388-F392 HydrophobicContact CB-CE2 4.31Å; L388-F392 WeakPolarHBondContact O-CD2 3.41Å; L388-F392 VanDerWaalsContact O-CG 3.3Å; L388-F392 WeakPolarHBondContact O-CG 3.32Å; L388-F392 PolarHBondContact O-N 2.86Å; C389-F392 PolarHBondContact O-N 2.96Å; Y390-F392 VanDerWaalsContact C-N 3.32Å; Y390-F392 PolarHBondContact O-N 3.05Å; F392-S395 PolarHBondContact O-OG 3.07Å; F392-E396 PolarHBondContact O-N 2.88Å; F392-C407 HydrophobicContact CD1-CB 4.36Å; F392-C407 HydrophobicContact CG-CB 4.49Å; F392-L408 HydrophobicContact CB-CD2 4.32Å
393	V	82.9	Confident	80.1	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-71.5	-44.4	-179.1	177	0	0	0	0	111.9	C389 Y390 F391 R397 L408 V435 L438	C389-V393 WeakPolarHBondContact O-CG2 3.41Å; C389-V393 PolarHBondContact O-N 3.2Å; Y390-V393 PolarHBondContact O-N 3.16Å; Y390-V393 VanDerWaalsContact O-N 3.12Å; F391-V393 PolarHBondContact O-N 3.44Å; V393-R397 PolarHBondContact O-N 3.1Å; V393-L408 HydrophobicContact CG2-CD2 4.26Å; V393-V435 HydrophobicContact CG2-CG1 4.41Å; V393-L438 HydrophobicContact CG1-CB 3.68Å
394	I	82.5	Confident	79.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-71.6	-30.5	-178.7	65.9	176.4	0	0	0	112.7	N321 I324 Y390 F391 R397 L398 L438	N321-I394 HydrophobicContact CB-CD1 4.04Å; N321-I394 WeakPolarHBondContact OD1-CD1 3.31Å; I324-I394 HydrophobicContact CB-CD1 3.62Å; I324-I394 HydrophobicContact CB-CG1 4.19Å; I324-I394 HydrophobicContact CD1-CD1 4.18Å; I324-I394 HydrophobicContact CG2-CB 3.85Å; I324-I394 HydrophobicContact CG2-CD1 3.56Å; I324-I394 HydrophobicContact CG2-CG1 3.56Å; Y390-I394 HydrophobicContact CD1-CD1 3.7Å; Y390-I394 HydrophobicContact CD1-CG1 4.29Å; Y390-I394 HydrophobicContact CD1-CG2 3.86Å; Y390-I394 HydrophobicContact CE1-CB 4.4Å; Y390-I394 HydrophobicContact CE1-CD1 3.51Å; Y390-I394 HydrophobicContact CE1-CG1 4.27Å; Y390-I394 HydrophobicContact CE1-CG2 3.43Å; Y390-I394 VanDerWaalsContact CE1-CG2 3.43Å; Y390-I394 HydrophobicContact CE2-CG2 4.24Å; Y390-I394 HydrophobicContact CG-CG2 4.43Å; Y390-I394 WeakPolarHBondContact O-CG1 3.42Å; Y390-I394 PolarHBondContact O-N 2.94Å; F391-I394 WeakPolarHBondContact O-CG1 3.46Å; I394-R397 PolarHBondContact O-N 2.84Å; I394-L398 PolarHBondContact O-N 2.97Å; I394-L438 HydrophobicContact CG2-CD1 4.45Å
395	S	83.8	Confident	78.1	Confident	3 Å²	3	29.5 Å²	29.5	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-69.7	-36.4	178.7	51.4	0	0	0	0	111.7	M349 F391 F392 L398 T399	M349-S395 WeakPolarHBondContact CE-OG 3.24Å; F391-S395 VanDerWaalsContact O-CB 3.24Å; F391-S395 WeakPolarHBondContact O-CB 3.48Å; F391-S395 PolarHBondContact O-N 3.34Å; F391-S395 PolarHBondContact O-OG 3.27Å; F392-S395 PolarHBondContact O-OG 3.07Å; S395-L398 PolarHBondContact O-N 3.21Å; S395-T399 WeakPolarHBondContact O-CB 3.38Å; S395-T399 WeakPolarHBondContact O-CG2 3.39Å; S395-T399 PolarHBondContact O-N 2.69Å; S395-T399 PolarHBondContact O-OG1 3.49Å
396	E	80.6	Confident	77.5	Confident	57 Å²	57	31.7 Å²	31.7	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-60	-46	169.5	-173.1	-175.7	-168.3	0	0	110.9	F392 L398 T399 G400 A403 L408	F392-E396 PolarHBondContact O-N 2.88Å; E396-L398 PolarHBondContact O-N 3.34Å; E396-T399 PolarHBondContact O-N 3.04Å; E396-T399 PolarHBondContact O-OG1 3.12Å; E396-G400 WeakPolarHBondContact O-CA 3.48Å; E396-G400 PolarHBondContact O-N 3.2Å; E396-A403 HydrophobicContact CB-CB 4.43Å; E396-L408 WeakPolarHBondContact OE2-CD1 3.23Å
397	R	81	Confident	77.1	Confident	114 Å²	114	31.7 Å²	31.7	43%	0.43	19%	0.194	S	C	.	.	H	α-helix	trans	-62.4	-39.6	177.3	-70.5	175.8	167.8	-155.2	-6.6	113.1	V328 V393 I394 L438	V328-R397 HydrophobicContact CG1-CB 4.17Å; V328-R397 HydrophobicContact CG2-CB 4.17Å; V393-R397 PolarHBondContact O-N 3.1Å; I394-R397 PolarHBondContact O-N 2.84Å; R397-L438 VanDerWaalsContact CZ-O 3.29Å; R397-L438 PolarHBondContact NE-O 3.35Å; R397-L438 VanDerWaalsContact NH1-CD2 3.34Å; R397-L438 VanDerWaalsContact NH2-C 3.35Å; R397-L438 PolarHBondContact NH2-O 3.09Å
398	L	82	Confident	76.6	Confident	4 Å²	4	32 Å²	32	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-43.7	180	179.6	62.9	0	0	0	112.2	I324 V328 F340 L344 I394 S395 E396	I324-L398 HydrophobicContact CB-CD2 4.49Å; I324-L398 HydrophobicContact CG1-CD2 4.25Å; I324-L398 HydrophobicContact CG2-CB 4.06Å; I324-L398 HydrophobicContact CG2-CD2 3.9Å; V328-L398 HydrophobicContact CG2-CB 3.72Å; V328-L398 HydrophobicContact CG2-CD1 4.19Å; F340-L398 HydrophobicContact CB-CD2 4.02Å; F340-L398 HydrophobicContact CB-CG 4.15Å; F340-L398 HydrophobicContact CD1-CD2 3.87Å; F340-L398 HydrophobicContact CD2-CD1 4.33Å; F340-L398 HydrophobicContact CE1-CD2 4.48Å; F340-L398 HydrophobicContact CG-CD1 4.45Å; F340-L398 HydrophobicContact CG-CD2 3.91Å; F340-L398 HydrophobicContact CG-CG 4.24Å; L344-L398 HydrophobicContact CD1-CD2 4.21Å; I394-L398 PolarHBondContact O-N 2.97Å; S395-L398 PolarHBondContact O-N 3.21Å; E396-L398 PolarHBondContact O-N 3.34Å
399	T	79.3	Confident	76	Confident	16 Å²	16	35.5 Å²	35.5	10%	0.098	21%	0.214	C	C	.	.	H	α-helix	trans	-81.7	-29.5	-175.5	57.6	0	0	0	0	112.4	A341 L344 S395 E396 E401	A341-T399 HydrophobicContact CB-CG2 4.19Å; L344-T399 HydrophobicContact CB-CG2 3.99Å; L344-T399 HydrophobicContact CD1-CG2 4.32Å; S395-T399 WeakPolarHBondContact O-CB 3.38Å; S395-T399 WeakPolarHBondContact O-CG2 3.39Å; S395-T399 PolarHBondContact O-N 2.69Å; S395-T399 PolarHBondContact O-OG1 3.49Å; E396-T399 PolarHBondContact O-N 3.04Å; E396-T399 PolarHBondContact O-OG1 3.12Å; T399-E401 PolarHBondContact O-N 3Å; T399-E401 VanDerWaalsContact O-N 3.16Å
400	G	70.4	Confident	75.7	Confident	66 Å²	66	38.7 Å²	38.7	68%	0.68	23%	0.232	S	C	*	.			trans	68.4	-0.8	-172.9	0	0	0	0	0	113.8	E396	E396-G400 WeakPolarHBondContact O-CA 3.48Å; E396-G400 PolarHBondContact O-N 3.2Å
401	E	67.1	Low	75.4	Confident	114 Å²	114	38.8 Å²	38.8	53%	0.533	23%	0.232	S	C	.	.	S	Bend	trans	-88.8	136.8	171.1	-66.9	-177.6	179.8	0	0	107.9	T399 A403	T399-E401 PolarHBondContact O-N 3Å; T399-E401 VanDerWaalsContact O-N 3.16Å; E401-A403 PolarHBondContact O-N 3.33Å
402	S	57.9	Low	74.8	Confident	103 Å²	103	39.3 Å²	39.3	72%	0.72	24%	0.235	S	C	*	.			trans	-60.2	113.4	171.7	56.4	0	0	0	0	107.8
403	A	58.9	Low	74.3	Confident	13 Å²	13	42.1 Å²	42.1	11%	0.107	25%	0.253	C	S	.	.			trans	-50.9	151.7	167.3	0	0	0	0	0	108.9	E396 E401 S405 L408	E396-A403 HydrophobicContact CB-CB 4.43Å; E401-A403 PolarHBondContact O-N 3.33Å; A403-S405 PolarHBondContact O-N 2.91Å; A403-L408 HydrophobicContact CB-CD1 4.2Å; A403-L408 HydrophobicContact CB-CG 4.41Å
404	P	61.6	Low	74.2	Confident	34 Å²	34	43.4 Å²	43.4	22%	0.221	26%	0.257	C	S	.	.			trans	-51.7	124.4	175.2	17.7	-27.7	0	0	0	108.6	M349 S406 C407	M349-P404 HydrophobicContact CB-CG 4.4Å; P404-S406 PolarHBondContact O-N 3.41Å; P404-C407 PolarHBondContact O-N 3.31Å
405	S	63	Low	73.9	Confident	84 Å²	84	43.6 Å²	43.6	59%	0.587	26%	0.258	S	S	*	.	H	α-helix	trans	-51.4	-33	-171.2	54.7	0	0	0	0	111.8	A403 C407 L408 D409	A403-S405 PolarHBondContact O-N 2.91Å; S405-C407 VanDerWaalsContact C-N 3.32Å; S405-C407 PolarHBondContact O-N 3.32Å; S405-L408 PolarHBondContact O-N 2.9Å; S405-D409 WeakPolarHBondContact O-CB 3.22Å; S405-D409 PolarHBondContact O-N 3.23Å
406	S	73.2	Confident	73.4	Confident	49 Å²	49	44.5 Å²	44.5	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-52.3	-39.7	174.4	57	0	0	0	0	114.9	P404 N410	P404-S406 PolarHBondContact O-N 3.41Å; S406-N410 WeakPolarHBondContact O-CB 3.31Å; S406-N410 PolarHBondContact O-N 3.11Å; S406-N410 PolarHBondContact O-ND2 3.37Å; S406-N410 PolarHBondContact O-OD1 2.9Å
407	C	76.3	Confident	73	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-45.4	-177.6	-63.8	0	0	0	0	111.1	N353 F392 P404 S405 S411	N353-C407 HydrophobicContact CB-CB 4.48Å; N353-C407 WeakPolarHBondContact CB-SG 3.45Å; N353-C407 PolarHBondContact ND2-SG 2.86Å; F392-C407 HydrophobicContact CD1-CB 4.36Å; F392-C407 HydrophobicContact CG-CB 4.49Å; P404-C407 PolarHBondContact O-N 3.31Å; S405-C407 VanDerWaalsContact C-N 3.32Å; S405-C407 PolarHBondContact O-N 3.32Å; C407-S411 WeakPolarHBondContact O-CB 3.49Å; C407-S411 PolarHBondContact O-N 3.29Å
408	L	73.8	Confident	72.6	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-70.4	-42.2	-179.8	-65.6	167.7	0	0	0	110.6	F392 V393 E396 A403 S405 N410 S411 T412	F392-L408 HydrophobicContact CB-CD2 4.32Å; V393-L408 HydrophobicContact CG2-CD2 4.26Å; E396-L408 WeakPolarHBondContact OE2-CD1 3.23Å; A403-L408 HydrophobicContact CB-CD1 4.2Å; A403-L408 HydrophobicContact CB-CG 4.41Å; S405-L408 PolarHBondContact O-N 2.9Å; L408-N410 PolarHBondContact O-N 2.78Å; L408-S411 WeakPolarHBondContact CA-OG 3.25Å; L408-S411 PolarHBondContact O-N 3.01Å; L408-S411 PolarHBondContact O-OG 2.94Å; L408-T412 WeakPolarHBondContact O-CG2 3.48Å; L408-T412 PolarHBondContact O-N 3.46Å; L408-T412 PolarHBondContact O-OG1 3.2Å
409	D	75.8	Confident	71.9	Confident	75 Å²	75	44.4 Å²	44.4	40%	0.401	26%	0.26	S	S	.	.	H	α-helix	trans	-67	-36.3	178.4	-62.6	-21.2	0	0	0	111.9	S405 T412 T413 R439	S405-D409 WeakPolarHBondContact O-CB 3.22Å; S405-D409 PolarHBondContact O-N 3.23Å; D409-T412 WeakPolarHBondContact CA-OG1 3.43Å; D409-T412 PolarHBondContact O-OG1 3.49Å; D409-T413 WeakPolarHBondContact O-CB 3.4Å; D409-T413 VanDerWaalsContact O-CG2 3.23Å; D409-T413 WeakPolarHBondContact O-CG2 3.42Å; D409-T413 PolarHBondContact O-N 3.36Å; D409-T413 PolarHBondContact O-OG1 3.44Å; D409-R439 IonicContact OD1-NH2 3.33Å
410	N	79.7	Confident	71.2	Confident	67 Å²	67	48.9 Å²	48.9	36%	0.358	28%	0.28	S	S	.	.	H	α-helix	trans	-64.8	-42.4	170.7	-74	-13.4	0	0	0	111.7	N353 F356 S406 L408 T413 Y414	N353-N410 PolarHBondContact ND2-ND2 2.81Å; N353-N410 PolarHBondContact OD1-ND2 2.94Å; F356-N410 HydrophobicContact CD1-CB 4.17Å; F356-N410 HydrophobicContact CE1-CB 4.15Å; S406-N410 WeakPolarHBondContact O-CB 3.31Å; S406-N410 PolarHBondContact O-N 3.11Å; S406-N410 PolarHBondContact O-ND2 3.37Å; S406-N410 PolarHBondContact O-OD1 2.9Å; L408-N410 PolarHBondContact O-N 2.78Å; N410-T413 WeakPolarHBondContact CA-OG1 3.49Å; N410-T413 PolarHBondContact O-OG1 3.07Å; N410-Y414 VanDerWaalsContact O-CB 3.25Å; N410-Y414 WeakPolarHBondContact O-CB 3.42Å; N410-Y414 PolarHBondContact O-N 3.41Å
411	S	79.5	Confident	71	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.014	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-42.8	178.7	77.4	0	0	0	0	111.5	C407 L408 Y414 L415	C407-S411 WeakPolarHBondContact O-CB 3.49Å; C407-S411 PolarHBondContact O-N 3.29Å; L408-S411 WeakPolarHBondContact CA-OG 3.25Å; L408-S411 PolarHBondContact O-N 3.01Å; L408-S411 PolarHBondContact O-OG 2.94Å; S411-Y414 PolarHBondContact O-N 3.08Å; S411-L415 VanDerWaalsContact O-CG 3.23Å; S411-L415 WeakPolarHBondContact O-CG 3.11Å; S411-L415 PolarHBondContact O-N 3.35Å
412	T	74.1	Confident	70.6	Confident	13 Å²	13	52.1 Å²	52.1	8%	0.08	27%	0.271	C	S	.	.	H	α-helix	trans	-69	-47.6	179.2	55.6	0	0	0	0	111.9	L408 D409 Y414 L415 F416 W441	L408-T412 WeakPolarHBondContact O-CG2 3.48Å; L408-T412 PolarHBondContact O-N 3.46Å; L408-T412 PolarHBondContact O-OG1 3.2Å; D409-T412 WeakPolarHBondContact CA-OG1 3.43Å; D409-T412 PolarHBondContact O-OG1 3.49Å; T412-Y414 PolarHBondContact O-N 3.47Å; T412-L415 PolarHBondContact O-N 2.93Å; T412-F416 WeakPolarHBondContact O-CB 3.42Å; T412-F416 WeakPolarHBondContact O-CD2 3.44Å; T412-F416 PolarHBondContact O-N 3.39Å; T412-W441 HydrophobicContact CG2-CH2 3.43Å; T412-W441 VanDerWaalsContact CG2-CH2 3.43Å; T412-W441 HydrophobicContact CG2-CZ3 3.66Å
413	T	76.9	Confident	70.9	Confident	59 Å²	59	53.7 Å²	53.7	36%	0.362	27%	0.271	S	S	.	.	H	α-helix	trans	-59	-36.5	176.2	53.2	0	0	0	0	111.6	D409 N410 R417	D409-T413 WeakPolarHBondContact O-CB 3.4Å; D409-T413 VanDerWaalsContact O-CG2 3.23Å; D409-T413 WeakPolarHBondContact O-CG2 3.42Å; D409-T413 PolarHBondContact O-N 3.36Å; D409-T413 PolarHBondContact O-OG1 3.44Å; N410-T413 WeakPolarHBondContact CA-OG1 3.49Å; N410-T413 PolarHBondContact O-OG1 3.07Å; T413-R417 WeakPolarHBondContact O-CB 2.91Å; T413-R417 WeakPolarHBondContact O-CG 3.44Å; T413-R417 PolarHBondContact O-N 3.43Å
414	Y	80.6	Confident	71.2	Confident	33 Å²	33	54.3 Å²	54.3	13%	0.129	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-49.3	174	179.5	-101.1	0	0	0	112.8	F356 P357 N385 N410 S411 T412 F416 R417 L418	F356-Y414 HydrophobicContact CE1-CG 4.12Å; F356-Y414 HydrophobicContact CE2-CD1 4.21Å; F356-Y414 HydrophobicContact CE2-CG 4.43Å; F356-Y414 AromaticContact CZ-CD1 3.64Å; F356-Y414 HydrophobicContact CZ-CD1 3.64Å; F356-Y414 HydrophobicContact CZ-CD2 4.26Å; F356-Y414 HydrophobicContact CZ-CE1 4.41Å; F356-Y414 AromaticContact CZ-CG 3.55Å; F356-Y414 HydrophobicContact CZ-CG 3.55Å; P357-Y414 HydrophobicContact CB-CD2 3.97Å; P357-Y414 HydrophobicContact CB-CE2 3.8Å; P357-Y414 HydrophobicContact CG-CD2 4.43Å; P357-Y414 HydrophobicContact CG-CE2 4.49Å; N385-Y414 HydrophobicContact CB-CD1 4.33Å; N385-Y414 HydrophobicContact CB-CE1 3.4Å; N385-Y414 VanDerWaalsContact CB-CE1 3.4Å; N385-Y414 WeakPolarHBondContact CB-OH 3.45Å; N385-Y414 PolarHBondContact ND2-OH 3.5Å; N410-Y414 VanDerWaalsContact O-CB 3.25Å; N410-Y414 WeakPolarHBondContact O-CB 3.42Å; N410-Y414 PolarHBondContact O-N 3.41Å; S411-Y414 PolarHBondContact O-N 3.08Å; T412-Y414 PolarHBondContact O-N 3.47Å; Y414-F416 VanDerWaalsContact C-N 3.32Å; Y414-F416 PolarHBondContact O-N 3.28Å; Y414-R417 PolarHBondContact O-N 2.74Å; Y414-L418 HydrophobicContact CD1-CD1 3.84Å; Y414-L418 HydrophobicContact CD1-CG 4.23Å; Y414-L418 HydrophobicContact CE1-CD1 3.2Å; Y414-L418 HydrophobicContact CE1-CD2 4.45Å; Y414-L418 HydrophobicContact CE1-CG 3.78Å; Y414-L418 HydrophobicContact CE2-CD2 4.47Å; Y414-L418 HydrophobicContact CE2-CG 4.32Å; Y414-L418 WeakPolarHBondContact O-CG 3.5Å; Y414-L418 PolarHBondContact O-N 3.18Å
415	L	77.4	Confident	71.5	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-40.6	178.5	-67.1	171.1	0	0	0	111.3	V386 C389 S411 T412 L418 L419 V432 V435 L436	V386-L415 HydrophobicContact CG2-CD2 4.22Å; C389-L415 HydrophobicContact CB-CD1 4.14Å; C389-L415 HydrophobicContact CB-CD2 4.38Å; C389-L415 HydrophobicContact CB-CG 4.44Å; S411-L415 VanDerWaalsContact O-CG 3.23Å; S411-L415 WeakPolarHBondContact O-CG 3.11Å; S411-L415 PolarHBondContact O-N 3.35Å; T412-L415 PolarHBondContact O-N 2.93Å; L415-L418 WeakPolarHBondContact O-CB 3.49Å; L415-L418 PolarHBondContact O-N 3.46Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 2.97Å; L415-V432 HydrophobicContact CD2-CB 4.48Å; L415-V432 HydrophobicContact CD2-CG1 4.1Å; L415-V432 HydrophobicContact CD2-CG2 4.05Å; L415-V435 HydrophobicContact CD1-CB 4.38Å; L415-V435 HydrophobicContact CD1-CG1 3.79Å; L415-L436 HydrophobicContact CB-CD2 4.33Å; L415-L436 HydrophobicContact CD1-CD2 3.9Å
416	F	72.5	Confident	71.5	Confident	23 Å²	23	52.3 Å²	52.3	10%	0.101	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-44.8	174	-74.2	-56.2	0	0	0	112.2	T412 Y414 L418 L419 E420 W441 L446 C449	T412-F416 WeakPolarHBondContact O-CB 3.42Å; T412-F416 WeakPolarHBondContact O-CD2 3.44Å; T412-F416 PolarHBondContact O-N 3.39Å; Y414-F416 VanDerWaalsContact C-N 3.32Å; Y414-F416 PolarHBondContact O-N 3.28Å; F416-L418 VanDerWaalsContact C-N 3.27Å; F416-L418 PolarHBondContact O-N 3.23Å; F416-L419 PolarHBondContact O-N 3.44Å; F416-E420 WeakPolarHBondContact O-CB 3.35Å; F416-E420 WeakPolarHBondContact O-CG 3.3Å; F416-E420 PolarHBondContact O-N 3.01Å; F416-W441 HydrophobicContact CE2-CH2 4.26Å; F416-W441 AromaticContact CE2-CZ3 3.65Å; F416-W441 HydrophobicContact CE2-CZ3 3.65Å; F416-W441 HydrophobicContact CZ-CE3 4.22Å; F416-W441 HydrophobicContact CZ-CH2 4.22Å; F416-W441 AromaticContact CZ-CZ3 3.63Å; F416-W441 HydrophobicContact CZ-CZ3 3.63Å; F416-L446 HydrophobicContact CE1-CB 4.31Å; F416-L446 HydrophobicContact CE1-CD1 4.17Å; F416-L446 HydrophobicContact CE1-CG 4.39Å; F416-L446 HydrophobicContact CZ-CB 4.02Å; F416-L446 HydrophobicContact CZ-CD1 4.01Å; F416-L446 HydrophobicContact CZ-CG 4.38Å; F416-C449 HydrophobicContact CD1-CB 3.58Å; F416-C449 HydrophobicContact CE1-CB 3.68Å
417	R	71.3	Confident	71.1	Confident	151 Å²	151	53.4 Å²	53.4	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-60.6	-35.6	173.7	-76.6	173.8	-173.7	159.3	2.7	112.4	T413 Y414 E420 K421	T413-R417 WeakPolarHBondContact O-CB 2.91Å; T413-R417 WeakPolarHBondContact O-CG 3.44Å; T413-R417 PolarHBondContact O-N 3.43Å; Y414-R417 PolarHBondContact O-N 2.74Å; R417-E420 PolarHBondContact O-N 3.4Å; R417-K421 VanDerWaalsContact O-CB 3.31Å; R417-K421 WeakPolarHBondContact O-CB 3.23Å; R417-K421 VanDerWaalsContact O-CG 3.3Å; R417-K421 WeakPolarHBondContact O-CG 3.39Å; R417-K421 PolarHBondContact O-N 3.03Å
418	L	72.6	Confident	70.8	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.094	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-44.9	174.6	-79.5	-177.5	0	0	0	111.7	I382 V386 Y414 L415 F416 E420 K421 R422	I382-L418 HydrophobicContact CD1-CD2 4.39Å; I382-L418 HydrophobicContact CG1-CD2 4.31Å; I382-L418 HydrophobicContact CG2-CD1 4.04Å; V386-L418 HydrophobicContact CG2-CD1 4.32Å; Y414-L418 HydrophobicContact CD1-CD1 3.84Å; Y414-L418 HydrophobicContact CD1-CG 4.23Å; Y414-L418 HydrophobicContact CE1-CD1 3.2Å; Y414-L418 HydrophobicContact CE1-CD2 4.45Å; Y414-L418 HydrophobicContact CE1-CG 3.78Å; Y414-L418 HydrophobicContact CE2-CD2 4.47Å; Y414-L418 HydrophobicContact CE2-CG 4.32Å; Y414-L418 WeakPolarHBondContact O-CG 3.5Å; Y414-L418 PolarHBondContact O-N 3.18Å; L415-L418 WeakPolarHBondContact O-CB 3.49Å; L415-L418 PolarHBondContact O-N 3.46Å; F416-L418 VanDerWaalsContact C-N 3.27Å; F416-L418 PolarHBondContact O-N 3.23Å; L418-E420 VanDerWaalsContact C-N 3.34Å; L418-K421 PolarHBondContact O-N 3.11Å; L418-R422 PolarHBondContact O-N 3.32Å
419	L	68.1	Low	70.7	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-40.8	174.6	-68.6	174.4	0	0	0	111.3	L415 F416 R422 L429 V432 L436 F453	L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 2.97Å; F416-L419 PolarHBondContact O-N 3.44Å; L419-R422 WeakPolarHBondContact O-CG 3.39Å; L419-R422 PolarHBondContact O-N 2.84Å; L419-L429 HydrophobicContact CD2-CD1 3.64Å; L419-V432 HydrophobicContact CD1-CG1 4.3Å; L419-V432 HydrophobicContact CD2-CG1 4Å; L419-V432 HydrophobicContact CG-CG1 4.13Å; L419-L436 HydrophobicContact CD1-CD1 3.99Å; L419-F453 VanDerWaalsContact O-CD2 3.24Å; L419-F453 WeakPolarHBondContact O-CD2 3.23Å
420	E	64.6	Low	70.3	Confident	110 Å²	110	52.5 Å²	52.5	51%	0.514	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-40.3	177.2	-75.6	-177.7	166.7	0	0	113.3	F416 R417 L418 R422	F416-E420 WeakPolarHBondContact O-CB 3.35Å; F416-E420 WeakPolarHBondContact O-CG 3.3Å; F416-E420 PolarHBondContact O-N 3.01Å; R417-E420 PolarHBondContact O-N 3.4Å; L418-E420 VanDerWaalsContact C-N 3.34Å; E420-R422 WeakPolarHBondContact O-CG 3.37Å; E420-R422 PolarHBondContact O-N 3.05Å
421	K	65.5	Low	69.8	Low	138 Å²	138	49.4 Å²	49.4	60%	0.6	24%	0.242	S	C	*	.	H	α-helix	trans	-69.4	-14.5	176.4	-76.7	-175.1	177.8	-171.7	0	113.1	R417 L418 N423	R417-K421 VanDerWaalsContact O-CB 3.31Å; R417-K421 WeakPolarHBondContact O-CB 3.23Å; R417-K421 VanDerWaalsContact O-CG 3.3Å; R417-K421 WeakPolarHBondContact O-CG 3.39Å; R417-K421 PolarHBondContact O-N 3.03Å; L418-K421 PolarHBondContact O-N 3.11Å; K421-N423 PolarHBondContact O-N 3.49Å; K421-N423 VanDerWaalsContact O-N 3.13Å
422	R	60.1	Low	69.7	Low	110 Å²	110	49.3 Å²	49.3	42%	0.415	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	23.4	169.4	-63.3	166.3	-173	-165.1	5	115.9	L418 L419 E420 K452 F453 S456	L418-R422 PolarHBondContact O-N 3.32Å; L419-R422 WeakPolarHBondContact O-CG 3.39Å; L419-R422 PolarHBondContact O-N 2.84Å; E420-R422 WeakPolarHBondContact O-CG 3.37Å; E420-R422 PolarHBondContact O-N 3.05Å; R422-K452 PolarHBondContact NH2-O 2.97Å; R422-F453 HydrophobicContact CB-CE2 4.49Å; R422-F453 HydrophobicContact CG-CD2 4.11Å; R422-F453 HydrophobicContact CG-CE2 4.05Å; R422-S456 VanDerWaalsContact CZ-CB 3.48Å; R422-S456 PolarHBondContact NH1-OG 3.39Å
423	N	63	Low	69.6	Low	136 Å²	136	48.9 Å²	48.9	73%	0.727	24%	0.238	S	C	*	.			trans	-109	36.4	-177.6	-76.6	-8.7	0	0	0	113.5	K421	K421-N423 PolarHBondContact O-N 3.49Å; K421-N423 VanDerWaalsContact O-N 3.13Å
424	C	65.7	Low	69.2	Low	26 Å²	26	47 Å²	47	18%	0.176	23%	0.225	C	C	.	.			trans	-98.5	139.7	178.7	-62.4	0	0	0	0	111.1	Q428	C424-Q428 HydrophobicContact CB-CB 4.18Å
425	S	66.8	Low	68.9	Low	19 Å²	19	45.6 Å²	45.6	13%	0.133	22%	0.22	C	C	.	.			trans	-66.1	162	164.7	73.7	0	0	0	0	110.7	T427 Q428 L429	S425-T427 VanDerWaalsContact C-N 3.26Å; S425-T427 PolarHBondContact O-N 3.48Å; S425-T427 PolarHBondContact OG-OG1 2.65Å; S425-Q428 VanDerWaalsContact N-OE1 3.17Å; S425-Q428 PolarHBondContact O-N 3.5Å; S425-Q428 WeakPolarHBondContact OG-CB 3.24Å; S425-Q428 VanDerWaalsContact OG-CG 3.27Å; S425-Q428 WeakPolarHBondContact OG-CG 3.31Å; S425-Q428 PolarHBondContact OG-N 3.43Å; S425-Q428 VanDerWaalsContact OG-N 3.1Å; S425-L429 PolarHBondContact O-N 3.17Å
426	P	63.3	Low	68.7	Low	56 Å²	56	45.4 Å²	45.4	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-57.3	-38	174.6	-25.2	34.4	0	0	0	113	L429 M430	P426-L429 PolarHBondContact O-N 3.02Å; P426-M430 WeakPolarHBondContact O-CG 3.41Å; P426-M430 PolarHBondContact O-N 2.98Å
427	T	65.1	Low	68.4	Low	72 Å²	72	46.1 Å²	46.1	44%	0.442	23%	0.227	S	C	.	.	H	α-helix	trans	-67.4	-39.4	177.2	52.2	0	0	0	0	112.2	F243 S425 M430 T431	F243-T427 HydrophobicContact CE1-CG2 4.25Å; F243-T427 HydrophobicContact CZ-CG2 4.02Å; S425-T427 VanDerWaalsContact C-N 3.26Å; S425-T427 PolarHBondContact O-N 3.48Å; S425-T427 PolarHBondContact OG-OG1 2.65Å; T427-M430 PolarHBondContact O-N 3.22Å; T427-T431 PolarHBondContact O-N 2.92Å; T427-T431 VanDerWaalsContact O-N 3.16Å
428	Q	71.3	Confident	68.3	Low	6 Å²	6	40.1 Å²	40.1	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-68.1	-39.5	174.4	-74.1	174.2	-23.6	0	0	111.5	I382 D383 C424 S425 M430 T431 V432	I382-Q428 HydrophobicContact CG2-CG 4.37Å; D383-Q428 WeakPolarHBondContact OD1-CG 3.4Å; D383-Q428 PolarHBondContact OD1-NE2 3.26Å; C424-Q428 HydrophobicContact CB-CB 4.18Å; S425-Q428 VanDerWaalsContact N-OE1 3.17Å; S425-Q428 PolarHBondContact O-N 3.5Å; S425-Q428 WeakPolarHBondContact OG-CB 3.24Å; S425-Q428 VanDerWaalsContact OG-CG 3.27Å; S425-Q428 WeakPolarHBondContact OG-CG 3.31Å; S425-Q428 PolarHBondContact OG-N 3.43Å; S425-Q428 VanDerWaalsContact OG-N 3.1Å; Q428-M430 VanDerWaalsContact C-N 3.3Å; Q428-M430 PolarHBondContact O-N 2.66Å; Q428-T431 WeakPolarHBondContact CA-OG1 3.2Å; Q428-T431 PolarHBondContact O-N 3.35Å; Q428-T431 VanDerWaalsContact O-N 3.15Å; Q428-T431 PolarHBondContact O-OG1 3.18Å; Q428-V432 WeakPolarHBondContact O-CG2 3.17Å; Q428-V432 PolarHBondContact O-N 3.21Å
429	L	71.8	Confident	68	Low	4 Å²	4	42.5 Å²	42.5	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-43.8	174.5	-176.3	66.8	0	0	0	111	L419 S425 P426 T431 V432 L433 F453 A463 L467	L419-L429 HydrophobicContact CD2-CD1 3.64Å; S425-L429 PolarHBondContact O-N 3.17Å; P426-L429 PolarHBondContact O-N 3.02Å; L429-T431 VanDerWaalsContact C-N 3.32Å; L429-T431 PolarHBondContact O-N 2.79Å; L429-V432 PolarHBondContact O-N 3.27Å; L429-L433 HydrophobicContact CD1-CD1 4.47Å; L429-L433 HydrophobicContact CD1-CG 4.38Å; L429-L433 HydrophobicContact CG-CD1 4.04Å; L429-L433 HydrophobicContact CG-CG 4.35Å; L429-L433 WeakPolarHBondContact O-CB 2.93Å; L429-L433 VanDerWaalsContact O-CG 3.31Å; L429-L433 WeakPolarHBondContact O-CG 2.91Å; L429-L433 PolarHBondContact O-N 3.32Å; L429-F453 HydrophobicContact CD1-CE1 3.79Å; L429-F453 HydrophobicContact CD1-CZ 4.05Å; L429-F453 HydrophobicContact CD2-CE1 3.96Å; L429-F453 HydrophobicContact CD2-CZ 4.41Å; L429-A463 HydrophobicContact CD2-CB 3.54Å; L429-L467 HydrophobicContact CD2-CG 4.34Å
430	M	66.5	Low	67.6	Low	52 Å²	52	54.1 Å²	54.1	26%	0.256	26%	0.257	S	S	.	.	H	α-helix	trans	-58.5	-43.1	174.8	-71.4	-58.1	-69	0	0	112.1	P426 T427 Q428 V432 L433 Q434 H466	P426-M430 WeakPolarHBondContact O-CG 3.41Å; P426-M430 PolarHBondContact O-N 2.98Å; T427-M430 PolarHBondContact O-N 3.22Å; Q428-M430 VanDerWaalsContact C-N 3.3Å; Q428-M430 PolarHBondContact O-N 2.66Å; M430-V432 VanDerWaalsContact C-N 3.35Å; M430-V432 PolarHBondContact O-N 3.01Å; M430-L433 PolarHBondContact O-N 2.83Å; M430-Q434 WeakPolarHBondContact O-CB 3.49Å; M430-Q434 PolarHBondContact O-N 3.31Å; M430-H466 HydrophobicContact SD-CB 3.55Å; M430-H466 VanDerWaalsContact SD-CB 3.55Å; M430-H466 PolarHBondContact SD-ND1 2.92Å; M430-H466 VanDerWaalsContact SD-ND1 3.42Å
431	T	69.7	Low	67.2	Low	2 Å²	2	50.9 Å²	50.9	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-41.7	175.8	54.5	0	0	0	0	113.2	P246 F247 T427 Q428 L429 Q434 V435	P246-T431 HydrophobicContact CG-CG2 3.01Å; F247-T431 HydrophobicContact CD2-CG2 3.82Å; F247-T431 HydrophobicContact CE2-CG2 3.72Å; T427-T431 PolarHBondContact O-N 2.92Å; T427-T431 VanDerWaalsContact O-N 3.16Å; Q428-T431 WeakPolarHBondContact CA-OG1 3.2Å; Q428-T431 PolarHBondContact O-N 3.35Å; Q428-T431 VanDerWaalsContact O-N 3.15Å; Q428-T431 PolarHBondContact O-OG1 3.18Å; L429-T431 VanDerWaalsContact C-N 3.32Å; L429-T431 PolarHBondContact O-N 2.79Å; T431-Q434 PolarHBondContact O-N 2.88Å; T431-V435 WeakPolarHBondContact O-CG2 3.42Å; T431-V435 PolarHBondContact O-N 2.72Å
432	V	76.5	Confident	66.6	Low	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-50.7	179.1	167.7	0	0	0	0	109	V386 L415 L419 Q428 L429 M430 Q434 V435 L436	V386-V432 HydrophobicContact CG1-CG2 4.44Å; V386-V432 HydrophobicContact CG2-CG2 3.77Å; L415-V432 HydrophobicContact CD2-CB 4.48Å; L415-V432 HydrophobicContact CD2-CG1 4.1Å; L415-V432 HydrophobicContact CD2-CG2 4.05Å; L419-V432 HydrophobicContact CD1-CG1 4.3Å; L419-V432 HydrophobicContact CD2-CG1 4Å; L419-V432 HydrophobicContact CG-CG1 4.13Å; Q428-V432 WeakPolarHBondContact O-CG2 3.17Å; Q428-V432 PolarHBondContact O-N 3.21Å; L429-V432 PolarHBondContact O-N 3.27Å; M430-V432 VanDerWaalsContact C-N 3.35Å; M430-V432 PolarHBondContact O-N 3.01Å; V432-Q434 VanDerWaalsContact C-N 3.26Å; V432-Q434 PolarHBondContact O-N 2.96Å; V432-V435 PolarHBondContact O-N 3.45Å; V432-V435 VanDerWaalsContact O-N 3.11Å; V432-L436 HydrophobicContact CG1-CD1 3.91Å; V432-L436 HydrophobicContact CG1-CG 4.38Å; V432-L436 VanDerWaalsContact O-CG 3.23Å; V432-L436 WeakPolarHBondContact O-CG 3.33Å; V432-L436 PolarHBondContact O-N 3.38Å
433	L	72	Confident	66.2	Low	5 Å²	5	47.7 Å²	47.7	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-38	177.9	-67.7	175.1	0	0	0	112.3	L429 M430 L436 S437 L450 L467 F470	L429-L433 HydrophobicContact CD1-CD1 4.47Å; L429-L433 HydrophobicContact CD1-CG 4.38Å; L429-L433 HydrophobicContact CG-CD1 4.04Å; L429-L433 HydrophobicContact CG-CG 4.35Å; L429-L433 WeakPolarHBondContact O-CB 2.93Å; L429-L433 VanDerWaalsContact O-CG 3.31Å; L429-L433 WeakPolarHBondContact O-CG 2.91Å; L429-L433 PolarHBondContact O-N 3.32Å; M430-L433 PolarHBondContact O-N 2.83Å; L433-L436 HydrophobicContact CD2-CD1 4.31Å; L433-L436 CarbonylContact O-C 3.5Å; L433-L436 WeakPolarHBondContact O-CB 3.01Å; L433-L436 PolarHBondContact O-N 2.91Å; L433-S437 PolarHBondContact O-N 2.99Å; L433-L450 HydrophobicContact CD2-CD2 4.1Å; L433-L467 HydrophobicContact CD1-CD2 3.96Å; L433-L467 HydrophobicContact CD1-CG 4.49Å; L433-L467 HydrophobicContact CD2-CD2 3.83Å; L433-L467 HydrophobicContact CG-CD2 4.44Å; L433-F470 HydrophobicContact CB-CD2 3.9Å; L433-F470 HydrophobicContact CB-CE2 4.3Å; L433-F470 HydrophobicContact CB-CG 4.39Å; L433-F470 HydrophobicContact CD1-CB 4.25Å; L433-F470 HydrophobicContact CD2-CD1 4.14Å; L433-F470 HydrophobicContact CD2-CD2 4.24Å; L433-F470 HydrophobicContact CD2-CE1 4.47Å; L433-F470 HydrophobicContact CD2-CG 4.03Å; L433-F470 WeakPolarHBondContact O-CE2 3.35Å
434	Q	69.6	Low	65.8	Low	19 Å²	19	48.1 Å²	48.1	9%	0.089	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-37.2	176.1	-168.3	-144.9	-36.7	0	0	112.8	S248 M430 T431 V432 L436 S437 L438	S248-Q434 PolarHBondContact OG-NE2 3.42Å; M430-Q434 WeakPolarHBondContact O-CB 3.49Å; M430-Q434 PolarHBondContact O-N 3.31Å; T431-Q434 PolarHBondContact O-N 2.88Å; V432-Q434 VanDerWaalsContact C-N 3.26Å; V432-Q434 PolarHBondContact O-N 2.96Å; Q434-L436 VanDerWaalsContact C-N 3.28Å; Q434-S437 PolarHBondContact O-N 3.28Å; Q434-S437 PolarHBondContact O-OG 3.11Å; Q434-L438 WeakPolarHBondContact O-CG 3.43Å
435	V	74	Confident	65.4	Low	3 Å²	3	53.7 Å²	53.7	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-38.8	171.2	175.8	0	0	0	0	110.3	V386 C389 Y390 V393 L415 T431 V432 L438	V386-V435 HydrophobicContact CG1-CG2 3.86Å; C389-V435 HydrophobicContact CB-CG1 3.87Å; Y390-V435 HydrophobicContact CD2-CG2 3.98Å; Y390-V435 HydrophobicContact CG-CG2 4.32Å; V393-V435 HydrophobicContact CG2-CG1 4.41Å; L415-V435 HydrophobicContact CD1-CB 4.38Å; L415-V435 HydrophobicContact CD1-CG1 3.79Å; T431-V435 WeakPolarHBondContact O-CG2 3.42Å; T431-V435 PolarHBondContact O-N 2.72Å; V432-V435 PolarHBondContact O-N 3.45Å; V432-V435 VanDerWaalsContact O-N 3.11Å; V435-L438 PolarHBondContact O-N 3.44Å
436	L	72.3	Confident	65	Low	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-38.9	176.5	-62.3	170.9	0	0	0	111.4	L415 L419 V432 L433 Q434 L438 R439 W441 L446 F470	L415-L436 HydrophobicContact CB-CD2 4.33Å; L415-L436 HydrophobicContact CD1-CD2 3.9Å; L419-L436 HydrophobicContact CD1-CD1 3.99Å; V432-L436 HydrophobicContact CG1-CD1 3.91Å; V432-L436 HydrophobicContact CG1-CG 4.38Å; V432-L436 VanDerWaalsContact O-CG 3.23Å; V432-L436 WeakPolarHBondContact O-CG 3.33Å; V432-L436 PolarHBondContact O-N 3.38Å; L433-L436 HydrophobicContact CD2-CD1 4.31Å; L433-L436 CarbonylContact O-C 3.5Å; L433-L436 WeakPolarHBondContact O-CB 3.01Å; L433-L436 PolarHBondContact O-N 2.91Å; Q434-L436 VanDerWaalsContact C-N 3.28Å; L436-L438 PolarHBondContact O-N 3.1Å; L436-L438 VanDerWaalsContact O-N 3.16Å; L436-R439 PolarHBondContact O-N 3.14Å; L436-W441 HydrophobicContact CB-CZ2 4.08Å; L436-W441 HydrophobicContact CD2-CH2 3.37Å; L436-W441 HydrophobicContact CD2-CZ2 3.18Å; L436-W441 HydrophobicContact CD2-CZ3 4.49Å; L436-W441 HydrophobicContact CG-CZ2 4.2Å; L436-W441 PolarHBondContact O-NE1 3.44Å; L436-L446 HydrophobicContact CB-CD1 4.43Å; L436-L446 HydrophobicContact CD1-CD1 4.36Å; L436-L446 HydrophobicContact CD2-CD1 4.11Å; L436-F470 HydrophobicContact CB-CZ 4.23Å
437	S	66.6	Low	64.7	Low	38 Å²	38	50.8 Å²	50.8	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-25.3	-179.9	65.9	0	0	0	0	114.2	L433 Q434 R439 H474	L433-S437 PolarHBondContact O-N 2.99Å; Q434-S437 PolarHBondContact O-N 3.28Å; Q434-S437 PolarHBondContact O-OG 3.11Å; S437-R439 VanDerWaalsContact C-N 3.32Å; S437-R439 PolarHBondContact O-N 2.88Å; S437-H474 WeakPolarHBondContact CB-CE1 3.12Å; S437-H474 WeakPolarHBondContact CB-NE2 3.36Å
438	L	69.2	Low	64.2	Low	24 Å²	24	50.4 Å²	50.4	13%	0.126	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.8	-177.1	-62.6	165.9	0	0	0	113.1	Y390 V393 I394 R397 Q434 V435 L436	Y390-L438 HydrophobicContact CD2-CD1 3.57Å; Y390-L438 HydrophobicContact CE2-CD1 3.28Å; V393-L438 HydrophobicContact CG1-CB 3.68Å; I394-L438 HydrophobicContact CG2-CD1 4.45Å; R397-L438 VanDerWaalsContact CZ-O 3.29Å; R397-L438 PolarHBondContact NE-O 3.35Å; R397-L438 VanDerWaalsContact NH1-CD2 3.34Å; R397-L438 VanDerWaalsContact NH2-C 3.35Å; R397-L438 PolarHBondContact NH2-O 3.09Å; Q434-L438 WeakPolarHBondContact O-CG 3.43Å; V435-L438 PolarHBondContact O-N 3.44Å; L436-L438 PolarHBondContact O-N 3.1Å; L436-L438 VanDerWaalsContact O-N 3.16Å
439	R	67.3	Low	63.6	Low	69 Å²	69	51.2 Å²	51.2	26%	0.26	25%	0.249	S	C	.	.	S	Bend	trans	-97.2	142.4	179.2	-153	177.3	-169.7	-147.3	3.4	110.4	D409 L436 S437 W441	D409-R439 IonicContact OD1-NH2 3.33Å; L436-R439 PolarHBondContact O-N 3.14Å; S437-R439 VanDerWaalsContact C-N 3.32Å; S437-R439 PolarHBondContact O-N 2.88Å; R439-W441 HydrophobicContact CB-CZ2 3.96Å; R439-W441 PolarHBondContact O-N 2.8Å; R439-W441 PolarHBondContact O-NE1 3.06Å
440	R	59.3	Low	63.2	Low	247 Å²	247	51.3 Å²	51.3	93%	0.932	25%	0.25	S	C	*	.			trans	-79.6	109.6	163.8	-68	-175.5	178.7	-176.6	-0.4	107.3
441	W	56	Low	62.7	Low	42 Å²	42	50 Å²	50	16%	0.159	24%	0.243	C	C	.	.			trans	-87.9	146.6	-178.4	-62.3	86.3	0	0	0	111.2	T412 F416 L436 R439 D443 L446	T412-W441 HydrophobicContact CG2-CH2 3.43Å; T412-W441 VanDerWaalsContact CG2-CH2 3.43Å; T412-W441 HydrophobicContact CG2-CZ3 3.66Å; F416-W441 HydrophobicContact CE2-CH2 4.26Å; F416-W441 AromaticContact CE2-CZ3 3.65Å; F416-W441 HydrophobicContact CE2-CZ3 3.65Å; F416-W441 HydrophobicContact CZ-CE3 4.22Å; F416-W441 HydrophobicContact CZ-CH2 4.22Å; F416-W441 AromaticContact CZ-CZ3 3.63Å; F416-W441 HydrophobicContact CZ-CZ3 3.63Å; L436-W441 HydrophobicContact CB-CZ2 4.08Å; L436-W441 HydrophobicContact CD2-CH2 3.37Å; L436-W441 HydrophobicContact CD2-CZ2 3.18Å; L436-W441 HydrophobicContact CD2-CZ3 4.49Å; L436-W441 HydrophobicContact CG-CZ2 4.2Å; L436-W441 PolarHBondContact O-NE1 3.44Å; R439-W441 HydrophobicContact CB-CZ2 3.96Å; R439-W441 PolarHBondContact O-N 2.8Å; R439-W441 PolarHBondContact O-NE1 3.06Å; W441-D443 PolarHBondContact O-N 3.07Å; W441-L446 HydrophobicContact CD2-CB 4.31Å; W441-L446 HydrophobicContact CD2-CD1 3.48Å; W441-L446 VanDerWaalsContact CD2-CD1 3.48Å; W441-L446 HydrophobicContact CD2-CG 4.37Å; W441-L446 HydrophobicContact CE3-CB 4.18Å; W441-L446 HydrophobicContact CE3-CD1 3.76Å; W441-L446 HydrophobicContact CG-CB 4.45Å; W441-L446 HydrophobicContact CG-CD1 3.96Å; W441-L446 HydrophobicContact CG-CD2 4.45Å; W441-L446 HydrophobicContact CH2-CD1 4.11Å; W441-L446 HydrophobicContact CZ2-CD1 3.9Å; W441-L446 HydrophobicContact CZ3-CD1 4.05Å
442	S	52.9	Low	62.2	Low	110 Å²	110	55.6 Å²	55.6	77%	0.769	27%	0.268	S	S	*	.			trans	-81.6	89.8	161.9	51.5	0	0	0	0	109.5	K444	S442-K444 PolarHBondContact O-N 3.15Å
443	D	52	Low	61.4	Low	71 Å²	71	56.5 Å²	56.5	38%	0.38	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	23.1	-61.4	167.7	-67.2	-14.9	0	0	0	121	W441 I447	W441-D443 PolarHBondContact O-N 3.07Å; D443-I447 WeakPolarHBondContact O-CD1 3.2Å; D443-I447 WeakPolarHBondContact O-CG1 3.25Å
444	K	53.4	Low	60.7	Low	146 Å²	146	56.5 Å²	56.5	64%	0.635	27%	0.271	S	S	*	.	H	α-helix	trans	-84.9	-41.8	-156.6	-68.5	-165.9	176.9	-161.8	0	116.8	S442 T448 E487	S442-K444 PolarHBondContact O-N 3.15Å; K444-T448 PolarHBondContact O-N 3.02Å; K444-T448 VanDerWaalsContact O-N 3.09Å; K444-T448 PolarHBondContact O-OG1 3.35Å; K444-E487 IonicContact NZ-OE2 3.95Å
445	E	57.3	Low	59.9	Low	143 Å²	143	58.6 Å²	58.6	67%	0.668	29%	0.285	S	S	*	.	H	α-helix	trans	-72	-42.8	-172.2	-69.3	-175.5	169.5	0	0	112.2	I447 T448 C449	E445-I447 PolarHBondContact O-N 2.76Å; E445-T448 PolarHBondContact O-N 3.03Å; E445-C449 PolarHBondContact O-N 3.23Å
446	L	59.3	Low	59.2	Low	2 Å²	2	58.9 Å²	58.9	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-44.2	178.9	-177.3	120	0	0	0	111.3	F416 L436 W441 T448 C449 L450 L478	F416-L446 HydrophobicContact CE1-CB 4.31Å; F416-L446 HydrophobicContact CE1-CD1 4.17Å; F416-L446 HydrophobicContact CE1-CG 4.39Å; F416-L446 HydrophobicContact CZ-CB 4.02Å; F416-L446 HydrophobicContact CZ-CD1 4.01Å; F416-L446 HydrophobicContact CZ-CG 4.38Å; L436-L446 HydrophobicContact CB-CD1 4.43Å; L436-L446 HydrophobicContact CD1-CD1 4.36Å; L436-L446 HydrophobicContact CD2-CD1 4.11Å; W441-L446 HydrophobicContact CD2-CB 4.31Å; W441-L446 HydrophobicContact CD2-CD1 3.48Å; W441-L446 VanDerWaalsContact CD2-CD1 3.48Å; W441-L446 HydrophobicContact CD2-CG 4.37Å; W441-L446 HydrophobicContact CE3-CB 4.18Å; W441-L446 HydrophobicContact CE3-CD1 3.76Å; W441-L446 HydrophobicContact CG-CB 4.45Å; W441-L446 HydrophobicContact CG-CD1 3.96Å; W441-L446 HydrophobicContact CG-CD2 4.45Å; W441-L446 HydrophobicContact CH2-CD1 4.11Å; W441-L446 HydrophobicContact CZ2-CD1 3.9Å; W441-L446 HydrophobicContact CZ3-CD1 4.05Å; L446-T448 PolarHBondContact O-N 3.45Å; L446-C449 PolarHBondContact O-N 2.96Å; L446-L450 HydrophobicContact CD2-CD1 3.49Å; L446-L450 VanDerWaalsContact CD2-CD1 3.49Å; L446-L450 HydrophobicContact CD2-CG 4.41Å; L446-L450 HydrophobicContact CG-CD1 3.87Å; L446-L450 HydrophobicContact CG-CG 4.27Å; L446-L450 WeakPolarHBondContact O-CB 3.34Å; L446-L450 VanDerWaalsContact O-CG 3.27Å; L446-L450 WeakPolarHBondContact O-CG 3.3Å; L446-L450 PolarHBondContact O-N 3.14Å; L446-L478 HydrophobicContact CD2-CD2 3.22Å; L446-L478 HydrophobicContact CD2-CG 4.49Å
447	I	55.8	Low	58.1	Low	11 Å²	11	65.7 Å²	65.7	6%	0.056	32%	0.324	C	S	.	.	H	α-helix	trans	-57.4	-52.8	174.1	-65.4	173.9	0	0	0	109.1	D443 E445 C449 L450 L451 L480	D443-I447 WeakPolarHBondContact O-CD1 3.2Å; D443-I447 WeakPolarHBondContact O-CG1 3.25Å; E445-I447 PolarHBondContact O-N 2.76Å; I447-C449 VanDerWaalsContact C-N 3.3Å; I447-C449 PolarHBondContact O-N 3Å; I447-L450 PolarHBondContact O-N 3.33Å; I447-L451 HydrophobicContact CG2-CD1 3.66Å; I447-L451 HydrophobicContact CG2-CG 3.91Å; I447-L451 VanDerWaalsContact O-CB 3.32Å; I447-L451 WeakPolarHBondContact O-CB 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.34Å; I447-L451 PolarHBondContact O-N 2.69Å; I447-L480 HydrophobicContact CD1-CD2 3.59Å; I447-L480 HydrophobicContact CD1-CG 4.33Å; I447-L480 HydrophobicContact CG1-CD2 3.93Å; I447-L480 HydrophobicContact CG2-CD2 4.4Å
448	T	56.2	Low	57.7	Low	65 Å²	65	74.5 Å²	74.5	40%	0.399	35%	0.352	S	S	.	.	H	α-helix	trans	-57.1	-41.5	-178.7	-52.8	0	0	0	0	112.7	K444 E445 L446 K452	K444-T448 PolarHBondContact O-N 3.02Å; K444-T448 VanDerWaalsContact O-N 3.09Å; K444-T448 PolarHBondContact O-OG1 3.35Å; E445-T448 PolarHBondContact O-N 3.03Å; L446-T448 PolarHBondContact O-N 3.45Å; T448-K452 HydrophobicContact CG2-CD 4.39Å; T448-K452 WeakPolarHBondContact O-CB 3.43Å; T448-K452 VanDerWaalsContact O-CG 3.28Å; T448-K452 WeakPolarHBondContact O-CG 3.3Å; T448-K452 PolarHBondContact O-N 3.17Å
449	C	58.8	Low	57.1	Low	22 Å²	22	74.3 Å²	74.3	15%	0.149	35%	0.353	C	S	.	.	H	α-helix	trans	-69.7	-43.7	177.1	-75.4	0	0	0	0	112.8	F416 E445 L446 I447 L451 K452 F453	F416-C449 HydrophobicContact CD1-CB 3.58Å; F416-C449 HydrophobicContact CE1-CB 3.68Å; E445-C449 PolarHBondContact O-N 3.23Å; L446-C449 PolarHBondContact O-N 2.96Å; I447-C449 VanDerWaalsContact C-N 3.3Å; I447-C449 PolarHBondContact O-N 3Å; C449-L451 VanDerWaalsContact C-N 3.31Å; C449-L451 PolarHBondContact O-N 2.83Å; C449-K452 PolarHBondContact O-N 3.19Å; C449-F453 WeakPolarHBondContact O-CB 3.38Å; C449-F453 PolarHBondContact O-N 3.41Å
450	L	61.7	Low	56.9	Low	7 Å²	7	73.5 Å²	73.5	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-41.1	175	-72	174.3	0	0	0	111	L433 L446 I447 F453 F454 L467 F470	L433-L450 HydrophobicContact CD2-CD2 4.1Å; L446-L450 HydrophobicContact CD2-CD1 3.49Å; L446-L450 VanDerWaalsContact CD2-CD1 3.49Å; L446-L450 HydrophobicContact CD2-CG 4.41Å; L446-L450 HydrophobicContact CG-CD1 3.87Å; L446-L450 HydrophobicContact CG-CG 4.27Å; L446-L450 WeakPolarHBondContact O-CB 3.34Å; L446-L450 VanDerWaalsContact O-CG 3.27Å; L446-L450 WeakPolarHBondContact O-CG 3.3Å; L446-L450 PolarHBondContact O-N 3.14Å; I447-L450 PolarHBondContact O-N 3.33Å; L450-F453 PolarHBondContact O-N 3.47Å; L450-F454 WeakPolarHBondContact O-CB 3.49Å; L450-F454 PolarHBondContact O-N 2.88Å; L450-L467 HydrophobicContact CD2-CD2 3.99Å; L450-F470 HydrophobicContact CD1-CD1 4.18Å; L450-F470 HydrophobicContact CD1-CE1 3.76Å
451	L	56.3	Low	57.1	Low	23 Å²	23	64.1 Å²	64.1	12%	0.12	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-53.3	173.3	-69.8	-178.2	0	0	0	110.8	I447 C449 F453 F454 V455 F491	I447-L451 HydrophobicContact CG2-CD1 3.66Å; I447-L451 HydrophobicContact CG2-CG 3.91Å; I447-L451 VanDerWaalsContact O-CB 3.32Å; I447-L451 WeakPolarHBondContact O-CB 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.34Å; I447-L451 PolarHBondContact O-N 2.69Å; C449-L451 VanDerWaalsContact C-N 3.31Å; C449-L451 PolarHBondContact O-N 2.83Å; L451-F453 PolarHBondContact O-N 3.21Å; L451-F454 WeakPolarHBondContact O-CB 3.39Å; L451-F454 PolarHBondContact O-N 3.21Å; L451-V455 WeakPolarHBondContact O-CG2 3.16Å; L451-V455 PolarHBondContact O-N 3.04Å; L451-F491 HydrophobicContact CD1-CB 4.48Å; L451-F491 HydrophobicContact CD2-CB 3.42Å; L451-F491 VanDerWaalsContact CD2-CB 3.42Å; L451-F491 HydrophobicContact CD2-CD2 3.06Å; L451-F491 HydrophobicContact CD2-CE2 3.96Å; L451-F491 HydrophobicContact CD2-CG 3.49Å; L451-F491 VanDerWaalsContact CD2-CG 3.49Å
452	K	60.3	Low	57.4	Low	120 Å²	120	65 Å²	65	52%	0.522	34%	0.336	S	S	.	.	H	α-helix	trans	-56.7	-34.3	176.7	-77.3	174.2	179.7	176.5	0	113	R422 T448 C449	R422-K452 PolarHBondContact NH2-O 2.97Å; T448-K452 HydrophobicContact CG2-CD 4.39Å; T448-K452 WeakPolarHBondContact O-CB 3.43Å; T448-K452 VanDerWaalsContact O-CG 3.28Å; T448-K452 WeakPolarHBondContact O-CG 3.3Å; T448-K452 PolarHBondContact O-N 3.17Å; C449-K452 PolarHBondContact O-N 3.19Å
453	F	59.8	Low	57.9	Low	19 Å²	19	60 Å²	60	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-72.8	-42.2	176.1	-170.5	-110.7	0	0	0	111.6	L419 R422 L429 C449 L450 L451 S456 L467	L419-F453 VanDerWaalsContact O-CD2 3.24Å; L419-F453 WeakPolarHBondContact O-CD2 3.23Å; R422-F453 HydrophobicContact CB-CE2 4.49Å; R422-F453 HydrophobicContact CG-CD2 4.11Å; R422-F453 HydrophobicContact CG-CE2 4.05Å; L429-F453 HydrophobicContact CD1-CE1 3.79Å; L429-F453 HydrophobicContact CD1-CZ 4.05Å; L429-F453 HydrophobicContact CD2-CE1 3.96Å; L429-F453 HydrophobicContact CD2-CZ 4.41Å; C449-F453 WeakPolarHBondContact O-CB 3.38Å; C449-F453 PolarHBondContact O-N 3.41Å; L450-F453 PolarHBondContact O-N 3.47Å; L451-F453 PolarHBondContact O-N 3.21Å; F453-S456 VanDerWaalsContact O-CB 3.27Å; F453-S456 WeakPolarHBondContact O-CB 3.36Å; F453-S456 PolarHBondContact O-N 3.45Å; F453-L467 HydrophobicContact CD1-CD1 3.34Å; F453-L467 HydrophobicContact CD1-CD2 3.87Å; F453-L467 HydrophobicContact CD1-CG 4.17Å; F453-L467 HydrophobicContact CE1-CD1 3.56Å; F453-L467 HydrophobicContact CE1-CD2 4.16Å; F453-L467 HydrophobicContact CE1-CG 4.25Å
454	F	56.6	Low	58.6	Low	5 Å²	5	57.3 Å²	57.3	2%	0.022	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-38.2	177	-161	-106.9	0	0	0	113	L450 L451 S456 L467 L468 F491 C494 L495 L498	L450-F454 WeakPolarHBondContact O-CB 3.49Å; L450-F454 PolarHBondContact O-N 2.88Å; L451-F454 WeakPolarHBondContact O-CB 3.39Å; L451-F454 PolarHBondContact O-N 3.21Å; F454-S456 PolarHBondContact O-N 2.95Å; F454-L467 HydrophobicContact CD2-CB 4.38Å; F454-L467 HydrophobicContact CD2-CD1 4.19Å; F454-L468 HydrophobicContact CE2-CD1 4.4Å; F454-L468 HydrophobicContact CZ-CD1 4.13Å; F454-F491 HydrophobicContact CD1-CD2 4.48Å; F454-F491 HydrophobicContact CD1-CE2 4.39Å; F454-F491 HydrophobicContact CE1-CE2 4.2Å; F454-C494 HydrophobicContact CD1-CB 3.98Å; F454-C494 HydrophobicContact CE1-CB 4.48Å; F454-L495 HydrophobicContact CE1-CD2 3.58Å; F454-L495 HydrophobicContact CE1-CG 3.94Å; F454-L495 HydrophobicContact CZ-CD2 3.53Å; F454-L495 HydrophobicContact CZ-CG 4.39Å; F454-L498 HydrophobicContact CD1-CD1 3.85Å; F454-L498 HydrophobicContact CD2-CD1 4.22Å; F454-L498 HydrophobicContact CE1-CD1 3.09Å; F454-L498 HydrophobicContact CE1-CG 4.25Å; F454-L498 HydrophobicContact CE2-CD1 3.53Å; F454-L498 HydrophobicContact CG-CD1 4.37Å; F454-L498 HydrophobicContact CZ-CD1 2.92Å; F454-L498 HydrophobicContact CZ-CG 4.36Å
455	V	52.9	Low	59.2	Low	63 Å²	63	52 Å²	52	38%	0.382	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.1	175.8	-178	0	0	0	0	112.3	L451 N457 C494	L451-V455 WeakPolarHBondContact O-CG2 3.16Å; L451-V455 PolarHBondContact O-N 3.04Å; V455-N457 PolarHBondContact O-N 2.86Å; V455-C494 HydrophobicContact CG2-CB 4.17Å; V455-C494 WeakPolarHBondContact CG2-SG 3.36Å
456	S	58.7	Low	59.4	Low	10 Å²	10	47.8 Å²	47.8	7%	0.07	24%	0.244	C	C	.	.			trans	-74.7	120.8	-172.9	178.2	0	0	0	0	113.4	R422 F453 F454 R458 A459	R422-S456 VanDerWaalsContact CZ-CB 3.48Å; R422-S456 PolarHBondContact NH1-OG 3.39Å; F453-S456 VanDerWaalsContact O-CB 3.27Å; F453-S456 WeakPolarHBondContact O-CB 3.36Å; F453-S456 PolarHBondContact O-N 3.45Å; F454-S456 PolarHBondContact O-N 2.95Å; S456-R458 PolarHBondContact O-N 3.16Å; S456-R458 PolarHBondContact OG-N 2.96Å; S456-A459 PolarHBondContact O-N 2.96Å
457	N	50.4	Low	59.8	Low	143 Å²	143	47.8 Å²	47.8	77%	0.765	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-6.6	173.4	-86.1	-7.6	0	0	0	115.8	V455	V455-N457 PolarHBondContact O-N 2.86Å
458	R	56.9	Low	60.4	Low	223 Å²	223	47.3 Å²	47.3	84%	0.842	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-10.3	-176.2	-65.6	-171.1	-179.6	179	0.9	115.3	S456	S456-R458 PolarHBondContact O-N 3.16Å; S456-R458 PolarHBondContact OG-N 2.96Å
459	A	58.3	Low	60.9	Low	19 Å²	19	46.8 Å²	46.8	16%	0.157	24%	0.236	C	C	.	.	S	Bend	trans	-77	138	179.6	0	0	0	0	0	111.2	S456 A463 K464	S456-A459 PolarHBondContact O-N 2.96Å; A459-A463 HydrophobicContact CB-CB 4.28Å; A459-K464 HydrophobicContact CB-CD 4.32Å; A459-K464 HydrophobicContact CB-CG 4.06Å; A459-K464 WeakPolarHBondContact O-CE 3.27Å
460	S	62.9	Low	61.3	Low	52 Å²	52	46.5 Å²	46.5	36%	0.364	23%	0.232	S	C	.	.			trans	-60.3	154.1	171.5	63.8	0	0	0	0	110.8	T462 A463 K464	S460-T462 PolarHBondContact O-N 3.46Å; S460-T462 PolarHBondContact OG-OG1 3.22Å; S460-A463 WeakPolarHBondContact O-CB 3.46Å; S460-A463 PolarHBondContact O-N 3.18Å; S460-A463 WeakPolarHBondContact OG-CB 3.24Å; S460-A463 PolarHBondContact OG-N 3.34Å; S460-A463 VanDerWaalsContact OG-N 3.12Å; S460-K464 PolarHBondContact O-N 3.31Å
461	I	63.4	Low	61.6	Low	51 Å²	51	46.7 Å²	46.7	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-53.3	-41.4	173.9	-66.7	176	0	0	0	110.1	K464 H465 I512	I461-K464 PolarHBondContact O-N 3.39Å; I461-H465 PolarHBondContact O-N 2.92Å; I461-I512 HydrophobicContact CB-CD1 4.45Å; I461-I512 HydrophobicContact CG2-CD1 3.37Å; I461-I512 HydrophobicContact CG2-CG1 4.49Å
462	T	62	Low	62.2	Low	59 Å²	59	45.9 Å²	45.9	36%	0.362	23%	0.229	S	C	.	.	H	α-helix	trans	-60.8	-44.4	174.8	51.8	0	0	0	0	113.4	S460 K464 H465 H466	S460-T462 PolarHBondContact O-N 3.46Å; S460-T462 PolarHBondContact OG-OG1 3.22Å; T462-K464 VanDerWaalsContact C-N 3.34Å; T462-K464 PolarHBondContact O-N 3.11Å; T462-H465 WeakPolarHBondContact O-CB 3.34Å; T462-H465 PolarHBondContact O-N 2.85Å; T462-H466 PolarHBondContact O-CD2 3.43Å; T462-H466 PolarHBondContact O-N 2.97Å
463	A	63.2	Low	62.5	Low	7 Å²	7	45.6 Å²	45.6	6%	0.058	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-42.6	176.9	0	0	0	0	0	111.5	L429 A459 S460 H466 L467	L429-A463 HydrophobicContact CD2-CB 3.54Å; A459-A463 HydrophobicContact CB-CB 4.28Å; S460-A463 WeakPolarHBondContact O-CB 3.46Å; S460-A463 PolarHBondContact O-N 3.18Å; S460-A463 WeakPolarHBondContact OG-CB 3.24Å; S460-A463 PolarHBondContact OG-N 3.34Å; S460-A463 VanDerWaalsContact OG-N 3.12Å; A463-H466 PolarHBondContact O-N 2.81Å; A463-L467 WeakPolarHBondContact O-CD1 3.21Å; A463-L467 VanDerWaalsContact O-CG 3.23Å; A463-L467 WeakPolarHBondContact O-CG 3.42Å; A463-L467 PolarHBondContact O-N 3.4Å
464	K	66.3	Low	62.7	Low	14 Å²	14	46.9 Å²	46.9	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-43.2	175.5	-71.9	153.9	159.6	-163	0	111.8	A459 S460 I461 T462 L468 L498	A459-K464 HydrophobicContact CB-CD 4.32Å; A459-K464 HydrophobicContact CB-CG 4.06Å; A459-K464 WeakPolarHBondContact O-CE 3.27Å; S460-K464 PolarHBondContact O-N 3.31Å; I461-K464 PolarHBondContact O-N 3.39Å; T462-K464 VanDerWaalsContact C-N 3.34Å; T462-K464 PolarHBondContact O-N 3.11Å; K464-L468 WeakPolarHBondContact O-CB 3.42Å; K464-L468 PolarHBondContact O-N 3.19Å; K464-L498 HydrophobicContact CB-CD2 4.16Å; K464-L498 HydrophobicContact CD-CD2 3.23Å; K464-L498 HydrophobicContact CG-CD2 3.76Å
465	H	65.6	Low	62.9	Low	33 Å²	33	46.7 Å²	46.7	15%	0.153	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-48.9	175	178.6	47.5	0	0	0	112.5	I461 T462 L467 L468 I469 P511 I512 S515	I461-H465 PolarHBondContact O-N 2.92Å; T462-H465 WeakPolarHBondContact O-CB 3.34Å; T462-H465 PolarHBondContact O-N 2.85Å; H465-L467 PolarHBondContact O-N 3.22Å; H465-L468 WeakPolarHBondContact O-CB 3.39Å; H465-L468 PolarHBondContact O-N 2.94Å; H465-L468 VanDerWaalsContact O-N 3.08Å; H465-I469 WeakPolarHBondContact CE1-CD1 3.42Å; H465-I469 WeakPolarHBondContact NE2-CD1 3.35Å; H465-I469 PolarHBondContact O-N 3.09Å; H465-P511 WeakPolarHBondContact CE1-CB 3.42Å; H465-P511 PolarHBondContact CE1-O 2.85Å; H465-P511 VanDerWaalsContact ND1-C 3.34Å; H465-P511 PolarHBondContact ND1-O 3.43Å; H465-P511 WeakPolarHBondContact NE2-CB 3.34Å; H465-I512 HydrophobicContact CB-CD1 4.29Å; H465-I512 HydrophobicContact CB-CG1 3.64Å; H465-S515 PolarHBondContact CE1-OG 3.04Å; H465-S515 PolarHBondContact ND1-OG 3.02Å
466	H	62.8	Low	63.2	Low	56 Å²	56	48.5 Å²	48.5	26%	0.259	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-38.5	-179.6	-72.7	-58.3	0	0	0	113.3	M430 T462 A463 L468 I469 F470	M430-H466 HydrophobicContact SD-CB 3.55Å; M430-H466 VanDerWaalsContact SD-CB 3.55Å; M430-H466 PolarHBondContact SD-ND1 2.92Å; M430-H466 VanDerWaalsContact SD-ND1 3.42Å; T462-H466 PolarHBondContact O-CD2 3.43Å; T462-H466 PolarHBondContact O-N 2.97Å; A463-H466 PolarHBondContact O-N 2.81Å; H466-L468 VanDerWaalsContact C-N 3.25Å; H466-L468 PolarHBondContact O-N 3.28Å; H466-I469 PolarHBondContact O-N 3.32Å; H466-F470 WeakPolarHBondContact O-CB 3.42Å; H466-F470 PolarHBondContact O-N 2.8Å
467	L	67.7	Low	62.9	Low	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-39.6	170.9	-69.4	162.6	0	0	0	111.6	L429 L433 L450 F453 F454 A463 H465 F470 I471	L429-L467 HydrophobicContact CD2-CG 4.34Å; L433-L467 HydrophobicContact CD1-CD2 3.96Å; L433-L467 HydrophobicContact CD1-CG 4.49Å; L433-L467 HydrophobicContact CD2-CD2 3.83Å; L433-L467 HydrophobicContact CG-CD2 4.44Å; L450-L467 HydrophobicContact CD2-CD2 3.99Å; F453-L467 HydrophobicContact CD1-CD1 3.34Å; F453-L467 HydrophobicContact CD1-CD2 3.87Å; F453-L467 HydrophobicContact CD1-CG 4.17Å; F453-L467 HydrophobicContact CE1-CD1 3.56Å; F453-L467 HydrophobicContact CE1-CD2 4.16Å; F453-L467 HydrophobicContact CE1-CG 4.25Å; F454-L467 HydrophobicContact CD2-CB 4.38Å; F454-L467 HydrophobicContact CD2-CD1 4.19Å; A463-L467 WeakPolarHBondContact O-CD1 3.21Å; A463-L467 VanDerWaalsContact O-CG 3.23Å; A463-L467 WeakPolarHBondContact O-CG 3.42Å; A463-L467 PolarHBondContact O-N 3.4Å; H465-L467 PolarHBondContact O-N 3.22Å; L467-F470 WeakPolarHBondContact O-CB 3.36Å; L467-F470 PolarHBondContact O-N 3.22Å; L467-I471 VanDerWaalsContact O-CG1 3.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.47Å; L467-I471 PolarHBondContact O-N 3.39Å
468	L	67.7	Low	63.1	Low	1 Å²	1	45 Å²	45	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-69.8	-38.5	-179.3	-165.2	64.2	0	0	0	111.7	F454 K464 H465 H466 I471 N472 L495 I512 S515 I516 L519	F454-L468 HydrophobicContact CE2-CD1 4.4Å; F454-L468 HydrophobicContact CZ-CD1 4.13Å; K464-L468 WeakPolarHBondContact O-CB 3.42Å; K464-L468 PolarHBondContact O-N 3.19Å; H465-L468 WeakPolarHBondContact O-CB 3.39Å; H465-L468 PolarHBondContact O-N 2.94Å; H465-L468 VanDerWaalsContact O-N 3.08Å; H466-L468 VanDerWaalsContact C-N 3.25Å; H466-L468 PolarHBondContact O-N 3.28Å; L468-I471 PolarHBondContact O-N 2.95Å; L468-N472 WeakPolarHBondContact O-CB 3.3Å; L468-N472 PolarHBondContact O-N 3.05Å; L468-N472 PolarHBondContact O-ND2 3.45Å; L468-L495 HydrophobicContact CD1-CD2 4.04Å; L468-I512 HydrophobicContact CD2-CG2 4.37Å; L468-S515 VanDerWaalsContact CD2-CB 3.46Å; L468-I516 HydrophobicContact CD2-CB 4.39Å; L468-I516 HydrophobicContact CD2-CG1 3.44Å; L468-I516 VanDerWaalsContact CD2-CG1 3.44Å; L468-L519 HydrophobicContact CD1-CD2 3.78Å
469	I	67.5	Low	63	Low	54 Å²	54	35.2 Å²	35.2	28%	0.277	21%	0.205	S	C	.	.	H	α-helix	trans	-58.7	-48.8	168.8	-68.7	169.6	0	0	0	110	H465 H466 I471 N472 D473	H465-I469 WeakPolarHBondContact CE1-CD1 3.42Å; H465-I469 WeakPolarHBondContact NE2-CD1 3.35Å; H465-I469 PolarHBondContact O-N 3.09Å; H466-I469 PolarHBondContact O-N 3.32Å; I469-I471 VanDerWaalsContact C-N 3.33Å; I469-I471 PolarHBondContact O-N 3.46Å; I469-N472 CarbonylContact O-C 3.56Å; I469-N472 WeakPolarHBondContact O-CA 3.48Å; I469-N472 WeakPolarHBondContact O-CB 3.46Å; I469-N472 PolarHBondContact O-N 3.24Å; I469-D473 WeakPolarHBondContact CG2-OD2 3.36Å; I469-D473 PolarHBondContact O-N 3.37Å
470	F	66.7	Low	62.9	Low	15 Å²	15	34.6 Å²	34.6	7%	0.066	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-44.5	178.4	176.2	-89.6	0	0	0	112.2	L433 L436 L450 H466 L467 N472 D473 H474 L478	L433-F470 HydrophobicContact CB-CD2 3.9Å; L433-F470 HydrophobicContact CB-CE2 4.3Å; L433-F470 HydrophobicContact CB-CG 4.39Å; L433-F470 HydrophobicContact CD1-CB 4.25Å; L433-F470 HydrophobicContact CD2-CD1 4.14Å; L433-F470 HydrophobicContact CD2-CD2 4.24Å; L433-F470 HydrophobicContact CD2-CE1 4.47Å; L433-F470 HydrophobicContact CD2-CG 4.03Å; L433-F470 WeakPolarHBondContact O-CE2 3.35Å; L436-F470 HydrophobicContact CB-CZ 4.23Å; L450-F470 HydrophobicContact CD1-CD1 4.18Å; L450-F470 HydrophobicContact CD1-CE1 3.76Å; H466-F470 WeakPolarHBondContact O-CB 3.42Å; H466-F470 PolarHBondContact O-N 2.8Å; L467-F470 WeakPolarHBondContact O-CB 3.36Å; L467-F470 PolarHBondContact O-N 3.22Å; F470-N472 VanDerWaalsContact C-N 3.3Å; F470-N472 PolarHBondContact O-N 2.9Å; F470-D473 PolarHBondContact O-N 3.21Å; F470-H474 AromaticContact CD2-CD2 3.46Å; F470-H474 VanDerWaalsContact CD2-CD2 3.46Å; F470-H474 WeakPolarHBondContact CD2-CD2 3.48Å; F470-H474 AromaticContact CD2-NE2 3.86Å; F470-H474 AromaticContact CE2-CD2 3.34Å; F470-H474 WeakPolarHBondContact CE2-CD2 3.38Å; F470-H474 AromaticContact CE2-NE2 3.64Å; F470-H474 AromaticContact CG-CD2 3.99Å; F470-H474 AromaticContact CZ-CD2 3.76Å; F470-H474 WeakPolarHBondContact O-CB 3.2Å; F470-H474 PolarHBondContact O-CD2 3.34Å; F470-H474 VanDerWaalsContact O-CD2 3.27Å; F470-H474 PolarHBondContact O-N 3.35Å; F470-L478 HydrophobicContact CE1-CD1 4.35Å
471	I	67.9	Low	62.3	Low	11 Å²	11	36.1 Å²	36.1	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-40.7	175.6	-69.4	164.3	0	0	0	110.6	L467 L468 I469 Y475 L480 F491 L519	L467-I471 VanDerWaalsContact O-CG1 3.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.47Å; L467-I471 PolarHBondContact O-N 3.39Å; L468-I471 PolarHBondContact O-N 2.95Å; I469-I471 VanDerWaalsContact C-N 3.33Å; I469-I471 PolarHBondContact O-N 3.46Å; I471-Y475 WeakPolarHBondContact O-CA 3.43Å; I471-Y475 PolarHBondContact O-N 3.02Å; I471-L480 HydrophobicContact CG2-CD1 3.93Å; I471-F491 HydrophobicContact CD1-CE2 4.15Å; I471-F491 HydrophobicContact CD1-CZ 4.46Å; I471-F491 HydrophobicContact CG2-CZ 4.44Å; I471-L519 HydrophobicContact CG2-CD1 4.08Å
472	N	68.3	Low	61.9	Low	6 Å²	6	35.4 Å²	35.4	3%	0.032	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-49.1	177.1	-81.8	-24.6	0	0	0	112.4	L468 I469 F470 H474 Y475 S515 V518 L519 K522	L468-N472 WeakPolarHBondContact O-CB 3.3Å; L468-N472 PolarHBondContact O-N 3.05Å; L468-N472 PolarHBondContact O-ND2 3.45Å; I469-N472 CarbonylContact O-C 3.56Å; I469-N472 WeakPolarHBondContact O-CA 3.48Å; I469-N472 WeakPolarHBondContact O-CB 3.46Å; I469-N472 PolarHBondContact O-N 3.24Å; F470-N472 VanDerWaalsContact C-N 3.3Å; F470-N472 PolarHBondContact O-N 2.9Å; N472-H474 VanDerWaalsContact C-N 3.28Å; N472-H474 PolarHBondContact O-N 3.04Å; N472-Y475 WeakPolarHBondContact O-CB 3.28Å; N472-Y475 PolarHBondContact O-N 2.95Å; N472-S515 PolarHBondContact ND2-O 3.46Å; N472-V518 HydrophobicContact CB-CG1 4.44Å; N472-L519 VanDerWaalsContact OD1-CA 3.22Å; N472-L519 WeakPolarHBondContact OD1-CA 3.44Å; N472-L519 WeakPolarHBondContact OD1-CB 3.31Å; N472-L519 WeakPolarHBondContact OD1-CD1 3.41Å; N472-L519 PolarHBondContact OD1-N 3.44Å; N472-K522 PolarHBondContact O-NZ 3.42Å
473	D	67.2	Low	61.3	Low	115 Å²	115	32.6 Å²	32.6	62%	0.615	18%	0.183	S	C	*	.	H	α-helix	trans	-66	-34.4	-176.6	-68.9	-15.1	0	0	0	111.5	I469 F470	I469-D473 WeakPolarHBondContact CG2-OD2 3.36Å; I469-D473 PolarHBondContact O-N 3.37Å; F470-D473 PolarHBondContact O-N 3.21Å
474	H	62.8	Low	60.6	Low	46 Å²	46	33.3 Å²	33.3	21%	0.213	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	18.8	179.2	-61.8	-67.9	0	0	0	114	S437 F470 N472 D476 A477 L478	S437-H474 WeakPolarHBondContact CB-CE1 3.12Å; S437-H474 WeakPolarHBondContact CB-NE2 3.36Å; F470-H474 AromaticContact CD2-CD2 3.46Å; F470-H474 VanDerWaalsContact CD2-CD2 3.46Å; F470-H474 WeakPolarHBondContact CD2-CD2 3.48Å; F470-H474 AromaticContact CD2-NE2 3.86Å; F470-H474 AromaticContact CE2-CD2 3.34Å; F470-H474 WeakPolarHBondContact CE2-CD2 3.38Å; F470-H474 AromaticContact CE2-NE2 3.64Å; F470-H474 AromaticContact CG-CD2 3.99Å; F470-H474 AromaticContact CZ-CD2 3.76Å; F470-H474 WeakPolarHBondContact O-CB 3.2Å; F470-H474 PolarHBondContact O-CD2 3.34Å; F470-H474 VanDerWaalsContact O-CD2 3.27Å; F470-H474 PolarHBondContact O-N 3.35Å; N472-H474 VanDerWaalsContact C-N 3.28Å; N472-H474 PolarHBondContact O-N 3.04Å; H474-D476 PolarHBondContact O-N 3.48Å; H474-A477 HydrophobicContact CB-CB 4.45Å; H474-A477 PolarHBondContact O-N 2.83Å; H474-L478 HydrophobicContact CB-CD1 3.77Å; H474-L478 HydrophobicContact CB-CG 3.84Å; H474-L478 VanDerWaalsContact O-CB 3.31Å; H474-L478 WeakPolarHBondContact O-CB 3.46Å; H474-L478 VanDerWaalsContact O-CG 3.25Å; H474-L478 WeakPolarHBondContact O-CG 3.5Å; H474-L478 PolarHBondContact O-N 3.4Å
475	Y	62.7	Low	60	Low	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-52.1	-176.4	-174.8	-89.5	0	0	0	113	I471 N472 L480 H481 L483 L519 K522 I523 L526	I471-Y475 WeakPolarHBondContact O-CA 3.43Å; I471-Y475 PolarHBondContact O-N 3.02Å; N472-Y475 WeakPolarHBondContact O-CB 3.28Å; N472-Y475 PolarHBondContact O-N 2.95Å; Y475-L480 HydrophobicContact CD2-CB 3.97Å; Y475-L480 HydrophobicContact CD2-CD1 4.22Å; Y475-L480 HydrophobicContact CE2-CB 3.91Å; Y475-L480 HydrophobicContact CG-CB 4.44Å; Y475-L480 WeakPolarHBondContact O-CB 3.39Å; Y475-L480 PolarHBondContact O-N 3.5Å; Y475-H481 AromaticContact CE1-ND1 3.96Å; Y475-L483 HydrophobicContact CE2-CD1 4.47Å; Y475-L519 HydrophobicContact CD2-CD1 3.93Å; Y475-L519 HydrophobicContact CE2-CD1 4.15Å; Y475-K522 HydrophobicContact CD1-CB 4.36Å; Y475-K522 HydrophobicContact CD1-CD 4.39Å; Y475-K522 HydrophobicContact CD2-CB 4.44Å; Y475-K522 HydrophobicContact CE1-CB 4.4Å; Y475-K522 HydrophobicContact CE2-CB 4.45Å; Y475-K522 HydrophobicContact CG-CB 4.39Å; Y475-K522 HydrophobicContact CG-CD 4.03Å; Y475-I523 HydrophobicContact CE2-CG1 3.78Å; Y475-L526 HydrophobicContact CD1-CD1 4.11Å; Y475-L526 HydrophobicContact CE1-CD1 3.41Å; Y475-L526 VanDerWaalsContact CE1-CD1 3.41Å
476	D	59.1	Low	59.2	Low	102 Å²	102	42.2 Å²	42.2	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-38.1	-179.6	-56	-43.2	0	0	0	111.8	H474 L478 G479 H481	H474-D476 PolarHBondContact O-N 3.48Å; D476-L478 VanDerWaalsContact C-N 3.34Å; D476-L478 PolarHBondContact O-N 2.89Å; D476-G479 PolarHBondContact O-N 3.25Å; D476-H481 IonicContact OD1-CE1 3.46Å; D476-H481 IonicContact OD1-NE2 3.41Å
477	A	52.5	Low	58.7	Low	72 Å²	72	46.3 Å²	46.3	60%	0.595	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.3	-176.2	0	0	0	0	0	113.7	H474 G479	H474-A477 HydrophobicContact CB-CB 4.45Å; H474-A477 PolarHBondContact O-N 2.83Å; A477-G479 VanDerWaalsContact C-N 3.29Å
478	L	53.9	Low	58.1	Low	8 Å²	8	47.3 Å²	47.3	4%	0.042	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2	176.9	-69.8	172.2	0	0	0	113	L446 F470 H474 D476 L480	L446-L478 HydrophobicContact CD2-CD2 3.22Å; L446-L478 HydrophobicContact CD2-CG 4.49Å; F470-L478 HydrophobicContact CE1-CD1 4.35Å; H474-L478 HydrophobicContact CB-CD1 3.77Å; H474-L478 HydrophobicContact CB-CG 3.84Å; H474-L478 VanDerWaalsContact O-CB 3.31Å; H474-L478 WeakPolarHBondContact O-CB 3.46Å; H474-L478 VanDerWaalsContact O-CG 3.25Å; H474-L478 WeakPolarHBondContact O-CG 3.5Å; H474-L478 PolarHBondContact O-N 3.4Å; D476-L478 VanDerWaalsContact C-N 3.34Å; D476-L478 PolarHBondContact O-N 2.89Å; L478-L480 HydrophobicContact CB-CD1 3.65Å; L478-L480 HydrophobicContact CB-CD2 4.46Å; L478-L480 HydrophobicContact CB-CG 3.59Å; L478-L480 HydrophobicContact CD1-CD1 3.59Å; L478-L480 HydrophobicContact CD1-CG 4.36Å; L478-L480 HydrophobicContact CG-CD1 4.24Å; L478-L480 PolarHBondContact O-N 3.44Å; L478-L480 VanDerWaalsContact O-N 3.16Å
479	G	54	Low	57.4	Low	17 Å²	17	49.1 Å²	49.1	18%	0.175	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	28.2	-175.9	0	0	0	0	0	112.7	D476 A477 H481 S482	D476-G479 PolarHBondContact O-N 3.25Å; A477-G479 VanDerWaalsContact C-N 3.29Å; G479-H481 PolarHBondContact O-N 3.32Å; G479-S482 PolarHBondContact O-N 3.48Å; G479-S482 VanDerWaalsContact O-N 3.08Å; G479-S482 PolarHBondContact O-OG 3.44Å
480	L	55.9	Low	57	Low	6 Å²	6	51.9 Å²	51.9	3%	0.031	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-69.1	-0	-176.1	-71.6	162.6	0	0	0	113.1	I447 I471 Y475 L478 S482 L483	I447-L480 HydrophobicContact CD1-CD2 3.59Å; I447-L480 HydrophobicContact CD1-CG 4.33Å; I447-L480 HydrophobicContact CG1-CD2 3.93Å; I447-L480 HydrophobicContact CG2-CD2 4.4Å; I471-L480 HydrophobicContact CG2-CD1 3.93Å; Y475-L480 HydrophobicContact CD2-CB 3.97Å; Y475-L480 HydrophobicContact CD2-CD1 4.22Å; Y475-L480 HydrophobicContact CE2-CB 3.91Å; Y475-L480 HydrophobicContact CG-CB 4.44Å; Y475-L480 WeakPolarHBondContact O-CB 3.39Å; Y475-L480 PolarHBondContact O-N 3.5Å; L478-L480 HydrophobicContact CB-CD1 3.65Å; L478-L480 HydrophobicContact CB-CD2 4.46Å; L478-L480 HydrophobicContact CB-CG 3.59Å; L478-L480 HydrophobicContact CD1-CD1 3.59Å; L478-L480 HydrophobicContact CD1-CG 4.36Å; L478-L480 HydrophobicContact CG-CD1 4.24Å; L478-L480 PolarHBondContact O-N 3.44Å; L478-L480 VanDerWaalsContact O-N 3.16Å; L480-S482 PolarHBondContact O-N 3.19Å; L480-S482 VanDerWaalsContact O-N 3.13Å; L480-L483 HydrophobicContact CB-CD1 3.84Å; L480-L483 HydrophobicContact CB-CG 3.98Å; L480-L483 HydrophobicContact CD2-CD1 3.59Å; L480-L483 HydrophobicContact CD2-CD2 3.73Å; L480-L483 HydrophobicContact CD2-CG 3.49Å; L480-L483 VanDerWaalsContact CD2-CG 3.49Å; L480-L483 HydrophobicContact CG-CD1 4.18Å; L480-L483 HydrophobicContact CG-CG 4.31Å; L480-L483 VanDerWaalsContact O-CB 3.22Å; L480-L483 WeakPolarHBondContact O-CB 3.4Å; L480-L483 WeakPolarHBondContact O-CG 3.34Å; L480-L483 PolarHBondContact O-N 2.87Å
481	H	52.1	Low	56.8	Low	83 Å²	83	51.3 Å²	51.3	38%	0.384	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-50.9	-30.8	161.1	-52.4	-60.7	0	0	0	111.5	Y475 D476 G479 L483 N527	Y475-H481 AromaticContact CE1-ND1 3.96Å; D476-H481 IonicContact OD1-CE1 3.46Å; D476-H481 IonicContact OD1-NE2 3.41Å; G479-H481 PolarHBondContact O-N 3.32Å; H481-L483 VanDerWaalsContact C-N 3.29Å; H481-L483 PolarHBondContact O-N 3.4Å; H481-N527 PolarHBondContact O-ND2 2.92Å
482	S	53.2	Low	56.6	Low	36 Å²	36	50.9 Å²	50.9	25%	0.252	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-73.7	-6.8	175.4	65.7	0	0	0	0	115.4	G479 L480 A484 K485 N488	G479-S482 PolarHBondContact O-N 3.48Å; G479-S482 VanDerWaalsContact O-N 3.08Å; G479-S482 PolarHBondContact O-OG 3.44Å; L480-S482 PolarHBondContact O-N 3.19Å; L480-S482 VanDerWaalsContact O-N 3.13Å; S482-A484 PolarHBondContact O-N 3.15Å; S482-K485 VanDerWaalsContact O-CB 3.28Å; S482-K485 WeakPolarHBondContact O-CB 3.14Å; S482-K485 WeakPolarHBondContact O-CG 3.47Å; S482-K485 PolarHBondContact O-N 3.16Å; S482-N488 PolarHBondContact O-ND2 3.4Å
483	L	50.3	Low	56.1	Low	1 Å²	1	52.9 Å²	52.9	1%	0.005	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-62.2	-25.1	176.4	-77.5	177.7	0	0	0	113.6	Y475 L480 H481 K485 N488 F491	Y475-L483 HydrophobicContact CE2-CD1 4.47Å; L480-L483 HydrophobicContact CB-CD1 3.84Å; L480-L483 HydrophobicContact CB-CG 3.98Å; L480-L483 HydrophobicContact CD2-CD1 3.59Å; L480-L483 HydrophobicContact CD2-CD2 3.73Å; L480-L483 HydrophobicContact CD2-CG 3.49Å; L480-L483 VanDerWaalsContact CD2-CG 3.49Å; L480-L483 HydrophobicContact CG-CD1 4.18Å; L480-L483 HydrophobicContact CG-CG 4.31Å; L480-L483 VanDerWaalsContact O-CB 3.22Å; L480-L483 WeakPolarHBondContact O-CB 3.4Å; L480-L483 WeakPolarHBondContact O-CG 3.34Å; L480-L483 PolarHBondContact O-N 2.87Å; H481-L483 VanDerWaalsContact C-N 3.29Å; H481-L483 PolarHBondContact O-N 3.4Å; L483-K485 PolarHBondContact O-N 3.4Å; L483-N488 HydrophobicContact CD2-CB 3.84Å; L483-F491 HydrophobicContact CD1-CD1 4.17Å; L483-F491 HydrophobicContact CD1-CE1 3.96Å; L483-F491 HydrophobicContact CD2-CD1 4.17Å
484	A	49.4	Very low	55.6	Low	22 Å²	22	47.7 Å²	47.7	18%	0.182	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-67.6	-9.8	175.1	0	0	0	0	0	113	S482 N527 L531	S482-A484 PolarHBondContact O-N 3.15Å; A484-N527 HydrophobicContact CB-CB 4.17Å; A484-N527 WeakPolarHBondContact CB-ND2 2.79Å; A484-L531 WeakPolarHBondContact O-CD1 3.33Å
485	K	53.8	Low	55.6	Low	130 Å²	130	45.5 Å²	45.5	57%	0.565	25%	0.25	S	S	*	.	S	Bend	trans	-75	143.6	174.9	-62.4	-179	179.1	-179.2	0	111	S482 L483 E487 N488	S482-K485 VanDerWaalsContact O-CB 3.28Å; S482-K485 WeakPolarHBondContact O-CB 3.14Å; S482-K485 WeakPolarHBondContact O-CG 3.47Å; S482-K485 PolarHBondContact O-N 3.16Å; L483-K485 PolarHBondContact O-N 3.4Å; K485-E487 PolarHBondContact O-N 3.3Å; K485-N488 PolarHBondContact O-N 3.05Å
486	I	47	Very low	55.3	Low	103 Å²	103	48 Å²	48	53%	0.528	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-48.2	-32	-178.5	-62.3	173.7	0	0	0	113.1	N488 I489 L531	I486-N488 PolarHBondContact O-N 3.05Å; I486-I489 HydrophobicContact CB-CD1 4.42Å; I486-I489 HydrophobicContact CG2-CD1 3.79Å; I486-I489 WeakPolarHBondContact O-CD1 3.28Å; I486-I489 VanDerWaalsContact O-CG1 3.31Å; I486-I489 WeakPolarHBondContact O-CG1 3.13Å; I486-I489 PolarHBondContact O-N 3.46Å; I486-L531 HydrophobicContact CD1-CD2 3.83Å; I486-L531 HydrophobicContact CG1-CD1 3.93Å; I486-L531 HydrophobicContact CG1-CD2 3.88Å; I486-L531 HydrophobicContact CG1-CG 4.47Å
487	E	52.7	Low	55.4	Low	143 Å²	143	48.5 Å²	48.5	67%	0.668	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-56.5	-22.4	178.9	-65.1	179	-177.6	0	0	113.7	K444 K485	K444-E487 IonicContact NZ-OE2 3.95Å; K485-E487 PolarHBondContact O-N 3.3Å
488	N	55.5	Low	55.5	Low	22 Å²	22	45.6 Å²	45.6	12%	0.118	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-106.5	13.9	-175.6	-66.5	-52.2	0	0	0	114.5	S482 L483 K485 I486 D490 F491	S482-N488 PolarHBondContact O-ND2 3.4Å; L483-N488 HydrophobicContact CD2-CB 3.84Å; K485-N488 PolarHBondContact O-N 3.05Å; I486-N488 PolarHBondContact O-N 3.05Å; N488-D490 PolarHBondContact O-N 2.98Å; N488-D490 VanDerWaalsContact O-N 3.15Å; N488-F491 VanDerWaalsContact O-CB 3.23Å; N488-F491 WeakPolarHBondContact O-CB 3.02Å; N488-F491 PolarHBondContact O-N 3.39Å
489	I	53.3	Low	55.6	Low	40 Å²	40	45.9 Å²	45.9	21%	0.205	24%	0.235	C	C	.	.	H	α-helix	trans	-54.1	-35.3	175.8	-71	167.4	0	0	0	111.4	I486 F491 F492 V493 P533 V534	I486-I489 HydrophobicContact CB-CD1 4.42Å; I486-I489 HydrophobicContact CG2-CD1 3.79Å; I486-I489 WeakPolarHBondContact O-CD1 3.28Å; I486-I489 VanDerWaalsContact O-CG1 3.31Å; I486-I489 WeakPolarHBondContact O-CG1 3.13Å; I486-I489 PolarHBondContact O-N 3.46Å; I489-F491 PolarHBondContact O-N 3.06Å; I489-F492 PolarHBondContact O-N 3.12Å; I489-F492 VanDerWaalsContact O-N 3.12Å; I489-V493 HydrophobicContact CG2-CG2 3.9Å; I489-V493 WeakPolarHBondContact O-CG2 3.22Å; I489-V493 PolarHBondContact O-N 3.27Å; I489-P533 HydrophobicContact CD1-CB 4.12Å; I489-P533 HydrophobicContact CD1-CG 4.23Å; I489-V534 HydrophobicContact CG1-CG2 4.01Å
490	D	58.8	Low	55.6	Low	112 Å²	112	49.8 Å²	49.8	60%	0.599	26%	0.259	S	S	*	.	H	α-helix	trans	-55.7	-33	176.1	-73.7	-21.1	0	0	0	112.9	N488 C494	N488-D490 PolarHBondContact O-N 2.98Å; N488-D490 VanDerWaalsContact O-N 3.15Å; D490-C494 WeakPolarHBondContact O-CB 3.24Å; D490-C494 PolarHBondContact O-N 3.4Å; D490-C494 PolarHBondContact O-SG 2.71Å
491	F	62.3	Low	55.3	Low	3 Å²	3	52.5 Å²	52.5	1%	0.013	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-51.1	175.6	178.5	-124.6	0	0	0	111.8	L451 F454 I471 L483 N488 I489 C494 L495 L519	L451-F491 HydrophobicContact CD1-CB 4.48Å; L451-F491 HydrophobicContact CD2-CB 3.42Å; L451-F491 VanDerWaalsContact CD2-CB 3.42Å; L451-F491 HydrophobicContact CD2-CD2 3.06Å; L451-F491 HydrophobicContact CD2-CE2 3.96Å; L451-F491 HydrophobicContact CD2-CG 3.49Å; L451-F491 VanDerWaalsContact CD2-CG 3.49Å; F454-F491 HydrophobicContact CD1-CD2 4.48Å; F454-F491 HydrophobicContact CD1-CE2 4.39Å; F454-F491 HydrophobicContact CE1-CE2 4.2Å; I471-F491 HydrophobicContact CD1-CE2 4.15Å; I471-F491 HydrophobicContact CD1-CZ 4.46Å; I471-F491 HydrophobicContact CG2-CZ 4.44Å; L483-F491 HydrophobicContact CD1-CD1 4.17Å; L483-F491 HydrophobicContact CD1-CE1 3.96Å; L483-F491 HydrophobicContact CD2-CD1 4.17Å; N488-F491 VanDerWaalsContact O-CB 3.23Å; N488-F491 WeakPolarHBondContact O-CB 3.02Å; N488-F491 PolarHBondContact O-N 3.39Å; I489-F491 PolarHBondContact O-N 3.06Å; F491-C494 CarbonylContact O-C 3.58Å; F491-C494 WeakPolarHBondContact O-CA 3.27Å; F491-C494 WeakPolarHBondContact O-CB 2.85Å; F491-C494 PolarHBondContact O-N 3.21Å; F491-C494 VanDerWaalsContact O-N 3.07Å; F491-L495 HydrophobicContact CD1-CD1 4.07Å; F491-L495 HydrophobicContact CE1-CD1 3.64Å; F491-L495 HydrophobicContact CE1-CG 4.47Å; F491-L495 HydrophobicContact CE2-CD1 4.35Å; F491-L495 HydrophobicContact CE2-CG 4.34Å; F491-L495 HydrophobicContact CZ-CD1 3.83Å; F491-L495 HydrophobicContact CZ-CD2 4.48Å; F491-L495 HydrophobicContact CZ-CG 4.27Å; F491-L495 PolarHBondContact O-N 3.41Å; F491-L519 HydrophobicContact CE1-CD2 3.84Å; F491-L519 HydrophobicContact CZ-CD2 3.64Å
492	F	63.5	Low	55.2	Low	1 Å²	1	49.4 Å²	49.4	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-67.9	-38	-179.4	-65.7	-74.1	0	0	0	111.5	I489 C494 L495 M496 I523 V534 V537 I538 I541	I489-F492 PolarHBondContact O-N 3.12Å; I489-F492 VanDerWaalsContact O-N 3.12Å; F492-C494 PolarHBondContact O-N 3.32Å; F492-L495 HydrophobicContact CD1-CD1 4.08Å; F492-L495 PolarHBondContact O-N 3.48Å; F492-M496 PolarHBondContact O-N 3.05Å; F492-I523 HydrophobicContact CE1-CD1 3.77Å; F492-I523 HydrophobicContact CZ-CD1 3.95Å; F492-I523 HydrophobicContact CZ-CG2 4.48Å; F492-V534 HydrophobicContact CD2-CG1 4.02Å; F492-V534 HydrophobicContact CE2-CG1 3.68Å; F492-V534 HydrophobicContact CZ-CG1 4.16Å; F492-V537 HydrophobicContact CB-CB 4.12Å; F492-V537 HydrophobicContact CB-CG1 3.48Å; F492-V537 VanDerWaalsContact CB-CG1 3.48Å; F492-I538 HydrophobicContact CD1-CD1 4.46Å; F492-I538 HydrophobicContact CD1-CG1 3.87Å; F492-I538 HydrophobicContact CE1-CD1 3.97Å; F492-I538 HydrophobicContact CE1-CG1 3.84Å; F492-I538 HydrophobicContact CZ-CD1 4.22Å; F492-I538 HydrophobicContact CZ-CG1 4.49Å; F492-I541 HydrophobicContact CB-CD1 4.4Å; F492-I541 HydrophobicContact CD1-CD1 4.23Å
493	V	58.5	Low	54.9	Low	49 Å²	49	54.3 Å²	54.3	30%	0.297	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-30.7	171.7	173.4	0	0	0	0	111.2	I489 M496 K497 V537	I489-V493 HydrophobicContact CG2-CG2 3.9Å; I489-V493 WeakPolarHBondContact O-CG2 3.22Å; I489-V493 PolarHBondContact O-N 3.27Å; V493-M496 WeakPolarHBondContact O-CB 3.26Å; V493-K497 WeakPolarHBondContact O-CG 3.43Å; V493-K497 PolarHBondContact O-N 3.33Å; V493-V537 HydrophobicContact CG2-CG1 4.48Å; V493-V537 HydrophobicContact CG2-CG2 4.44Å
494	C	56.9	Low	54.7	Low	6 Å²	6	57.9 Å²	57.9	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-79.1	-35.9	175.6	-69.3	0	0	0	0	113.5	F454 V455 D490 F491 F492 M496 K497 L498	F454-C494 HydrophobicContact CD1-CB 3.98Å; F454-C494 HydrophobicContact CE1-CB 4.48Å; V455-C494 HydrophobicContact CG2-CB 4.17Å; V455-C494 WeakPolarHBondContact CG2-SG 3.36Å; D490-C494 WeakPolarHBondContact O-CB 3.24Å; D490-C494 PolarHBondContact O-N 3.4Å; D490-C494 PolarHBondContact O-SG 2.71Å; F491-C494 CarbonylContact O-C 3.58Å; F491-C494 WeakPolarHBondContact O-CA 3.27Å; F491-C494 WeakPolarHBondContact O-CB 2.85Å; F491-C494 PolarHBondContact O-N 3.21Å; F491-C494 VanDerWaalsContact O-N 3.07Å; F492-C494 PolarHBondContact O-N 3.32Å; C494-M496 VanDerWaalsContact C-N 3.27Å; C494-M496 PolarHBondContact O-N 2.9Å; C494-K497 PolarHBondContact O-N 3.41Å; C494-L498 WeakPolarHBondContact O-CG 3.36Å; C494-L498 PolarHBondContact O-N 2.95Å
495	L	62.9	Low	54.4	Low	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.1	-43.8	167.5	-72.8	169.3	0	0	0	110.7	F454 L468 F491 F492 K497 L498 E499 I516 L519 I541	F454-L495 HydrophobicContact CE1-CD2 3.58Å; F454-L495 HydrophobicContact CE1-CG 3.94Å; F454-L495 HydrophobicContact CZ-CD2 3.53Å; F454-L495 HydrophobicContact CZ-CG 4.39Å; L468-L495 HydrophobicContact CD1-CD2 4.04Å; F491-L495 HydrophobicContact CD1-CD1 4.07Å; F491-L495 HydrophobicContact CE1-CD1 3.64Å; F491-L495 HydrophobicContact CE1-CG 4.47Å; F491-L495 HydrophobicContact CE2-CD1 4.35Å; F491-L495 HydrophobicContact CE2-CG 4.34Å; F491-L495 HydrophobicContact CZ-CD1 3.83Å; F491-L495 HydrophobicContact CZ-CD2 4.48Å; F491-L495 HydrophobicContact CZ-CG 4.27Å; F491-L495 PolarHBondContact O-N 3.41Å; F492-L495 HydrophobicContact CD1-CD1 4.08Å; F492-L495 PolarHBondContact O-N 3.48Å; L495-K497 PolarHBondContact O-N 3Å; L495-L498 WeakPolarHBondContact O-CB 3.48Å; L495-L498 PolarHBondContact O-N 2.88Å; L495-E499 PolarHBondContact O-N 2.98Å; L495-I516 HydrophobicContact CD2-CG1 4.36Å; L495-L519 HydrophobicContact CD1-CD2 4.04Å; L495-I541 HydrophobicContact CB-CD1 3.72Å; L495-I541 HydrophobicContact CB-CG1 4.5Å; L495-I541 HydrophobicContact CD1-CD1 4.28Å
496	M	56	Low	54.2	Low	51 Å²	51	59.4 Å²	59.4	25%	0.251	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-48.2	171.9	-79.3	-63.5	-61.1	0	0	112.9	F492 V493 C494 L498 E499 S500 V537 K540 I541	F492-M496 PolarHBondContact O-N 3.05Å; V493-M496 WeakPolarHBondContact O-CB 3.26Å; C494-M496 VanDerWaalsContact C-N 3.27Å; C494-M496 PolarHBondContact O-N 2.9Å; M496-L498 VanDerWaalsContact C-N 3.26Å; M496-L498 PolarHBondContact O-N 3.42Å; M496-E499 PolarHBondContact O-N 3.29Å; M496-S500 PolarHBondContact O-N 3.08Å; M496-V537 HydrophobicContact CG-CG1 3.78Å; M496-K540 HydrophobicContact CE-CB 3.58Å; M496-K540 HydrophobicContact SD-CB 3.61Å; M496-I541 HydrophobicContact CG-CD1 4.25Å; M496-I541 HydrophobicContact CG-CG1 3.5Å; M496-I541 VanDerWaalsContact CG-CG1 3.5Å; M496-I541 WeakPolarHBondContact SD-CA 3.16Å; M496-I541 HydrophobicContact SD-CB 3.97Å; M496-I541 HydrophobicContact SD-CG1 3.28Å; M496-I541 WeakPolarHBondContact SD-CG1 3.3Å; M496-I541 PolarHBondContact SD-N 3.33Å
497	K	61.1	Low	54.2	Low	113 Å²	113	60.4 Å²	60.4	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-36.1	178.3	-77	176.4	-179.1	174.3	0	112.1	V493 C494 L495 S500 S501	V493-K497 WeakPolarHBondContact O-CG 3.43Å; V493-K497 PolarHBondContact O-N 3.33Å; C494-K497 PolarHBondContact O-N 3.41Å; L495-K497 PolarHBondContact O-N 3Å; K497-S500 WeakPolarHBondContact CA-OG 3.08Å; K497-S500 PolarHBondContact O-N 3.47Å; K497-S500 PolarHBondContact O-OG 3.18Å; K497-S501 WeakPolarHBondContact O-CB 3.14Å; K497-S501 PolarHBondContact O-N 3.04Å; K497-S501 PolarHBondContact O-OG 3.27Å
498	L	55.4	Low	54.1	Low	11 Å²	11	59.5 Å²	59.5	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-47.3	176.3	-76.6	173.2	0	0	0	112.5	F454 K464 C494 L495 M496 S500 S501 S502	F454-L498 HydrophobicContact CD1-CD1 3.85Å; F454-L498 HydrophobicContact CD2-CD1 4.22Å; F454-L498 HydrophobicContact CE1-CD1 3.09Å; F454-L498 HydrophobicContact CE1-CG 4.25Å; F454-L498 HydrophobicContact CE2-CD1 3.53Å; F454-L498 HydrophobicContact CG-CD1 4.37Å; F454-L498 HydrophobicContact CZ-CD1 2.92Å; F454-L498 HydrophobicContact CZ-CG 4.36Å; K464-L498 HydrophobicContact CB-CD2 4.16Å; K464-L498 HydrophobicContact CD-CD2 3.23Å; K464-L498 HydrophobicContact CG-CD2 3.76Å; C494-L498 WeakPolarHBondContact O-CG 3.36Å; C494-L498 PolarHBondContact O-N 2.95Å; L495-L498 WeakPolarHBondContact O-CB 3.48Å; L495-L498 PolarHBondContact O-N 2.88Å; M496-L498 VanDerWaalsContact C-N 3.26Å; M496-L498 PolarHBondContact O-N 3.42Å; L498-S500 VanDerWaalsContact C-N 3.31Å; L498-S500 PolarHBondContact O-N 2.81Å; L498-S501 WeakPolarHBondContact CA-OG 3.45Å; L498-S501 PolarHBondContact O-N 3.19Å; L498-S501 PolarHBondContact O-OG 2.88Å; L498-S502 PolarHBondContact O-N 3.47Å; L498-S502 PolarHBondContact O-OG 3Å
499	E	54.2	Low	54.2	Low	15 Å²	15	58.6 Å²	58.6	7%	0.07	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-37.5	178	-67.3	-166.1	161.2	0	0	111.9	L495 M496 S501 S502 I516 S544 L545	L495-E499 PolarHBondContact O-N 2.98Å; M496-E499 PolarHBondContact O-N 3.29Å; E499-S501 PolarHBondContact O-N 3.17Å; E499-S502 WeakPolarHBondContact CA-OG 3.37Å; E499-S502 PolarHBondContact O-N 3.45Å; E499-S502 PolarHBondContact O-OG 2.92Å; E499-I516 HydrophobicContact CG-CD1 3.89Å; E499-I516 VanDerWaalsContact OE1-CD1 3.29Å; E499-I516 WeakPolarHBondContact OE1-CD1 3.47Å; E499-S544 WeakPolarHBondContact OE2-CB 3.42Å; E499-S544 PolarHBondContact OE2-OG 3.31Å; E499-L545 WeakPolarHBondContact OE1-CD2 3.43Å; E499-L545 VanDerWaalsContact OE1-CG 3.26Å; E499-L545 WeakPolarHBondContact OE1-CG 3.28Å
500	S	54.2	Low	54.3	Low	98 Å²	98	62.1 Å²	62.1	69%	0.685	34%	0.344	S	S	*	.	H	α-helix	trans	-65.3	-26.9	173.1	74.1	0	0	0	0	113.3	M496 K497 L498	M496-S500 PolarHBondContact O-N 3.08Å; K497-S500 WeakPolarHBondContact CA-OG 3.08Å; K497-S500 PolarHBondContact O-N 3.47Å; K497-S500 PolarHBondContact O-OG 3.18Å; L498-S500 VanDerWaalsContact C-N 3.31Å; L498-S500 PolarHBondContact O-N 2.81Å
501	S	50.4	Low	54.7	Low	63 Å²	63	59.3 Å²	59.3	44%	0.441	33%	0.331	S	S	.	.	H	α-helix	trans	-85.7	-26	179.8	73.3	0	0	0	0	113.4	K497 L498 E499 Q503	K497-S501 WeakPolarHBondContact O-CB 3.14Å; K497-S501 PolarHBondContact O-N 3.04Å; K497-S501 PolarHBondContact O-OG 3.27Å; L498-S501 WeakPolarHBondContact CA-OG 3.45Å; L498-S501 PolarHBondContact O-N 3.19Å; L498-S501 PolarHBondContact O-OG 2.88Å; E499-S501 PolarHBondContact O-N 3.17Å; S501-Q503 PolarHBondContact O-N 3.33Å
502	S	49.6	Very low	54.8	Low	18 Å²	18	59.8 Å²	59.8	13%	0.126	33%	0.334	C	S	.	.	S	Bend	trans	-80.7	93.6	171.9	54.1	0	0	0	0	109	L498 E499 A504	L498-S502 PolarHBondContact O-N 3.47Å; L498-S502 PolarHBondContact O-OG 3Å; E499-S502 WeakPolarHBondContact CA-OG 3.37Å; E499-S502 PolarHBondContact O-N 3.45Å; E499-S502 PolarHBondContact O-OG 2.92Å; S502-A504 PolarHBondContact O-N 3.39Å
503	Q	47.4	Very low	55.2	Low	140 Å²	140	60.3 Å²	60.3	65%	0.654	34%	0.336	S	S	*	.			trans	-56.4	124.5	162.4	-67.2	-178.9	-6.5	0	0	107.7	S501 S505 H506	S501-Q503 PolarHBondContact O-N 3.33Å; Q503-S505 PolarHBondContact O-N 3.13Å; Q503-H506 PolarHBondContact O-N 2.98Å
504	A	45.2	Very low	56	Low	75 Å²	75	61.8 Å²	61.8	62%	0.62	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-4.6	-171.4	0	0	0	0	0	115.6	S502	S502-A504 PolarHBondContact O-N 3.39Å
505	S	44.3	Very low	56.7	Low	95 Å²	95	61.8 Å²	61.8	66%	0.664	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.2	-179.5	53.1	0	0	0	0	115	Q503 V507	Q503-S505 PolarHBondContact O-N 3.13Å; S505-V507 PolarHBondContact O-N 2.97Å
506	H	48.4	Very low	57.3	Low	90 Å²	90	61.8 Å²	61.8	42%	0.417	34%	0.34	S	S	.	.			trans	-84.5	114.6	176.8	-72.4	-83.6	0	0	0	110.7	Q503 E508 A509	Q503-H506 PolarHBondContact O-N 2.98Å; H506-E508 PolarHBondContact O-N 2.89Å; H506-A509 WeakPolarHBondContact O-CB 3.36Å; H506-A509 PolarHBondContact O-N 3.05Å
507	V	47.1	Very low	58.2	Low	124 Å²	124	59.4 Å²	59.4	75%	0.752	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-48.4	-26.5	168.8	177.7	0	0	0	0	111.9	S505 A509	S505-V507 PolarHBondContact O-N 2.97Å; V507-A509 VanDerWaalsContact C-N 3.31Å; V507-A509 PolarHBondContact O-N 2.75Å
508	E	51.1	Low	59	Low	124 Å²	124	55.3 Å²	55.3	58%	0.579	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-72.7	-10.2	176.9	-59.6	-178.5	175	0	0	115.4	H506 P511	H506-E508 PolarHBondContact O-N 2.89Å; E508-P511 WeakPolarHBondContact O-CD 3.3Å
509	A	57.5	Low	59.8	Low	2 Å²	2	54.8 Å²	54.8	2%	0.017	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-82	-20.8	-179.5	0	0	0	0	0	113.4	H506 V507 P511 I512 H513	H506-A509 WeakPolarHBondContact O-CB 3.36Å; H506-A509 PolarHBondContact O-N 3.05Å; V507-A509 VanDerWaalsContact C-N 3.31Å; V507-A509 PolarHBondContact O-N 2.75Å; A509-P511 VanDerWaalsContact C-CD 3.48Å; A509-I512 WeakPolarHBondContact O-CB 3.43Å; A509-I512 PolarHBondContact O-N 3.41Å; A509-I512 VanDerWaalsContact O-N 3.09Å; A509-H513 PolarHBondContact O-CD2 2.98Å; A509-H513 PolarHBondContact O-N 2.76Å; A509-H513 VanDerWaalsContact O-N 3.11Å
510	W	56.8	Low	60.8	Low	115 Å²	115	54.1 Å²	54.1	44%	0.436	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-42.9	-175	-67.8	36.6	0	0	0	114.2	I512 H513 H514 A551	W510-I512 PolarHBondContact O-N 3.48Å; W510-H513 PolarHBondContact O-N 3.39Å; W510-H514 PolarHBondContact O-N 3.42Å; W510-A551 WeakPolarHBondContact CH2-O 3.47Å; W510-A551 HydrophobicContact CZ2-CB 4.23Å; W510-A551 WeakPolarHBondContact CZ2-O 3.29Å; W510-A551 WeakPolarHBondContact CZ3-O 3.48Å
511	P	65.6	Low	62	Low	53 Å²	53	51.4 Å²	51.4	34%	0.344	28%	0.283	S	S	.	.	H	α-helix	trans	-64.9	-30.9	178.1	-20.4	34.6	0	0	0	112.5	H465 E508 A509 S515	H465-P511 WeakPolarHBondContact CE1-CB 3.42Å; H465-P511 PolarHBondContact CE1-O 2.85Å; H465-P511 VanDerWaalsContact ND1-C 3.34Å; H465-P511 PolarHBondContact ND1-O 3.43Å; H465-P511 WeakPolarHBondContact NE2-CB 3.34Å; E508-P511 WeakPolarHBondContact O-CD 3.3Å; A509-P511 VanDerWaalsContact C-CD 3.48Å; P511-S515 WeakPolarHBondContact O-CB 3.37Å; P511-S515 PolarHBondContact O-N 3.48Å; P511-S515 PolarHBondContact O-OG 3.31Å
512	I	65.7	Low	63.1	Low	13 Å²	13	51.5 Å²	51.5	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-66.8	-51.8	174.4	-64.3	178.4	0	0	0	109.4	I461 H465 L468 A509 W510 H514 S515 I516	I461-I512 HydrophobicContact CB-CD1 4.45Å; I461-I512 HydrophobicContact CG2-CD1 3.37Å; I461-I512 HydrophobicContact CG2-CG1 4.49Å; H465-I512 HydrophobicContact CB-CD1 4.29Å; H465-I512 HydrophobicContact CB-CG1 3.64Å; L468-I512 HydrophobicContact CD2-CG2 4.37Å; A509-I512 WeakPolarHBondContact O-CB 3.43Å; A509-I512 PolarHBondContact O-N 3.41Å; A509-I512 VanDerWaalsContact O-N 3.09Å; W510-I512 PolarHBondContact O-N 3.48Å; I512-H514 VanDerWaalsContact C-N 3.25Å; I512-H514 PolarHBondContact O-N 3.41Å; I512-S515 CarbonylContact O-C 3.4Å; I512-S515 PolarHBondContact O-N 2.8Å; I512-I516 HydrophobicContact CG2-CD1 3.65Å; I512-I516 HydrophobicContact CG2-CG1 4.06Å; I512-I516 WeakPolarHBondContact O-CG1 3.48Å; I512-I516 PolarHBondContact O-N 2.91Å
513	H	70.5	Confident	64.1	Low	12 Å²	12	50.7 Å²	50.7	6%	0.056	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-41.4	178.2	-64	-57.2	0	0	0	112	A509 W510 S515 I516 I517 L545 F552	A509-H513 PolarHBondContact O-CD2 2.98Å; A509-H513 PolarHBondContact O-N 2.76Å; A509-H513 VanDerWaalsContact O-N 3.11Å; W510-H513 PolarHBondContact O-N 3.39Å; H513-S515 PolarHBondContact O-N 3.15Å; H513-I516 PolarHBondContact O-N 3.27Å; H513-I517 VanDerWaalsContact O-CG1 3.29Å; H513-I517 WeakPolarHBondContact O-CG1 3.49Å; H513-I517 PolarHBondContact O-N 2.83Å; H513-L545 HydrophobicContact CB-CD2 4.14Å; H513-L545 WeakPolarHBondContact ND1-CD2 3.41Å; H513-F552 HydrophobicContact CB-CE1 3.67Å; H513-F552 HydrophobicContact CB-CZ 3.66Å; H513-F552 AromaticContact CD2-CE1 3.78Å; H513-F552 AromaticContact CG-CE1 3.73Å; H513-F552 AromaticContact CG-CZ 3.79Å
514	H	75.2	Confident	65.3	Low	80 Å²	80	44.6 Å²	44.6	37%	0.37	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-47.6	173.4	-173	76.3	0	0	0	112.6	W510 I512 I516 I517 V518 L556 R559	W510-H514 PolarHBondContact O-N 3.42Å; I512-H514 VanDerWaalsContact C-N 3.25Å; I512-H514 PolarHBondContact O-N 3.41Å; H514-I516 VanDerWaalsContact C-N 3.34Å; H514-I516 PolarHBondContact O-N 3.13Å; H514-I517 PolarHBondContact O-N 3.48Å; H514-V518 VanDerWaalsContact O-CG2 3.26Å; H514-V518 WeakPolarHBondContact O-CG2 3.35Å; H514-V518 PolarHBondContact O-N 3.37Å; H514-L556 HydrophobicContact CB-CD1 4.36Å; H514-L556 HydrophobicContact CB-CD2 4.25Å; H514-L556 WeakPolarHBondContact ND1-CD1 3.01Å; H514-R559 PolarHBondContact CE1-NH1 3.44Å; H514-R559 VanDerWaalsContact CE1-NH1 3.33Å
515	S	72	Confident	66.5	Low	5 Å²	5	44.7 Å²	44.7	4%	0.035	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-34.7	-180	-56.8	0	0	0	0	112.1	H465 L468 N472 P511 I512 H513 L519	H465-S515 PolarHBondContact CE1-OG 3.04Å; H465-S515 PolarHBondContact ND1-OG 3.02Å; L468-S515 VanDerWaalsContact CD2-CB 3.46Å; N472-S515 PolarHBondContact ND2-O 3.46Å; P511-S515 WeakPolarHBondContact O-CB 3.37Å; P511-S515 PolarHBondContact O-N 3.48Å; P511-S515 PolarHBondContact O-OG 3.31Å; I512-S515 CarbonylContact O-C 3.4Å; I512-S515 PolarHBondContact O-N 2.8Å; H513-S515 PolarHBondContact O-N 3.15Å; S515-L519 WeakPolarHBondContact O-CB 3.49Å; S515-L519 PolarHBondContact O-N 2.88Å
516	I	74.8	Confident	67.3	Low	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-45.5	174.5	-65.6	176.1	0	0	0	109.5	L468 L495 E499 I512 H513 H514 V518 L519 L520 I541 L545	L468-I516 HydrophobicContact CD2-CB 4.39Å; L468-I516 HydrophobicContact CD2-CG1 3.44Å; L468-I516 VanDerWaalsContact CD2-CG1 3.44Å; L495-I516 HydrophobicContact CD2-CG1 4.36Å; E499-I516 HydrophobicContact CG-CD1 3.89Å; E499-I516 VanDerWaalsContact OE1-CD1 3.29Å; E499-I516 WeakPolarHBondContact OE1-CD1 3.47Å; I512-I516 HydrophobicContact CG2-CD1 3.65Å; I512-I516 HydrophobicContact CG2-CG1 4.06Å; I512-I516 WeakPolarHBondContact O-CG1 3.48Å; I512-I516 PolarHBondContact O-N 2.91Å; H513-I516 PolarHBondContact O-N 3.27Å; H514-I516 VanDerWaalsContact C-N 3.34Å; H514-I516 PolarHBondContact O-N 3.13Å; I516-V518 PolarHBondContact O-N 2.73Å; I516-L519 WeakPolarHBondContact O-CB 3.31Å; I516-L519 PolarHBondContact O-N 2.84Å; I516-L519 VanDerWaalsContact O-N 3.17Å; I516-L520 HydrophobicContact CG2-CD1 4Å; I516-L520 HydrophobicContact CG2-CG 4.22Å; I516-L520 WeakPolarHBondContact O-CG 3.42Å; I516-L520 PolarHBondContact O-N 3.22Å; I516-I541 HydrophobicContact CG2-CG2 4.01Å; I516-L545 HydrophobicContact CG2-CD1 4Å
517	I	76.2	Confident	67.7	Low	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-45.9	178.4	-70.6	164.1	0	0	0	110.8	H513 H514 L519 L520 E521 L545 F552 L556 R559 C560	H513-I517 VanDerWaalsContact O-CG1 3.29Å; H513-I517 WeakPolarHBondContact O-CG1 3.49Å; H513-I517 PolarHBondContact O-N 2.83Å; H514-I517 PolarHBondContact O-N 3.48Å; I517-L519 VanDerWaalsContact C-N 3.29Å; I517-L519 PolarHBondContact O-N 3.39Å; I517-L520 PolarHBondContact O-N 2.96Å; I517-E521 HydrophobicContact CG2-CG 4.46Å; I517-E521 WeakPolarHBondContact O-CG 3.33Å; I517-E521 PolarHBondContact O-N 3.48Å; I517-L545 HydrophobicContact CG1-CD1 3.99Å; I517-F552 HydrophobicContact CD1-CD2 4.42Å; I517-F552 HydrophobicContact CD1-CE2 3.96Å; I517-L556 HydrophobicContact CB-CD1 4.28Å; I517-L556 HydrophobicContact CD1-CD1 3.44Å; I517-L556 VanDerWaalsContact CD1-CD1 3.44Å; I517-L556 HydrophobicContact CD1-CD2 4.39Å; I517-L556 HydrophobicContact CD1-CG 3.79Å; I517-L556 HydrophobicContact CG1-CD1 4.44Å; I517-L556 HydrophobicContact CG2-CD1 4.29Å; I517-R559 HydrophobicContact CG2-CB 3.9Å; I517-C560 HydrophobicContact CD1-CB 3.87Å
518	V	78	Confident	68.1	Low	27 Å²	27	46.2 Å²	46.2	16%	0.164	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-43.1	174.9	172.6	0	0	0	0	111.3	N472 H514 I516 E521 K522	N472-V518 HydrophobicContact CB-CG1 4.44Å; H514-V518 VanDerWaalsContact O-CG2 3.26Å; H514-V518 WeakPolarHBondContact O-CG2 3.35Å; H514-V518 PolarHBondContact O-N 3.37Å; I516-V518 PolarHBondContact O-N 2.73Å; V518-E521 PolarHBondContact O-N 3.24Å; V518-K522 WeakPolarHBondContact O-CG 3.37Å; V518-K522 PolarHBondContact O-N 3.41Å; V518-K522 VanDerWaalsContact O-N 3.11Å
519	L	72.8	Confident	68.5	Low	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-47.2	178.3	-176.9	62.5	0	0	0	111.5	L468 I471 N472 Y475 F491 L495 S515 I516 I517 E521 K522 I523	L468-L519 HydrophobicContact CD1-CD2 3.78Å; I471-L519 HydrophobicContact CG2-CD1 4.08Å; N472-L519 VanDerWaalsContact OD1-CA 3.22Å; N472-L519 WeakPolarHBondContact OD1-CA 3.44Å; N472-L519 WeakPolarHBondContact OD1-CB 3.31Å; N472-L519 WeakPolarHBondContact OD1-CD1 3.41Å; N472-L519 PolarHBondContact OD1-N 3.44Å; Y475-L519 HydrophobicContact CD2-CD1 3.93Å; Y475-L519 HydrophobicContact CE2-CD1 4.15Å; F491-L519 HydrophobicContact CE1-CD2 3.84Å; F491-L519 HydrophobicContact CZ-CD2 3.64Å; L495-L519 HydrophobicContact CD1-CD2 4.04Å; S515-L519 WeakPolarHBondContact O-CB 3.49Å; S515-L519 PolarHBondContact O-N 2.88Å; I516-L519 WeakPolarHBondContact O-CB 3.31Å; I516-L519 PolarHBondContact O-N 2.84Å; I516-L519 VanDerWaalsContact O-N 3.17Å; I517-L519 VanDerWaalsContact C-N 3.29Å; I517-L519 PolarHBondContact O-N 3.39Å; L519-E521 PolarHBondContact O-N 2.91Å; L519-K522 PolarHBondContact O-N 2.99Å; L519-I523 HydrophobicContact CD1-CD1 4.03Å; L519-I523 HydrophobicContact CD1-CG1 4.39Å; L519-I523 HydrophobicContact CD2-CD1 4.38Å; L519-I523 HydrophobicContact CG-CD1 3.76Å; L519-I523 HydrophobicContact CG-CG1 4.47Å; L519-I523 VanDerWaalsContact O-CG1 3.27Å; L519-I523 WeakPolarHBondContact O-CG1 3.32Å; L519-I523 PolarHBondContact O-N 3.14Å
520	L	75	Confident	68.2	Low	1 Å²	1	50 Å²	50	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-41.8	178.9	-70.8	179.5	0	0	0	111.4	I516 I517 K522 I523 L524 I538 I541 L545 L563	I516-L520 HydrophobicContact CG2-CD1 4Å; I516-L520 HydrophobicContact CG2-CG 4.22Å; I516-L520 WeakPolarHBondContact O-CG 3.42Å; I516-L520 PolarHBondContact O-N 3.22Å; I517-L520 PolarHBondContact O-N 2.96Å; L520-K522 VanDerWaalsContact C-N 3.34Å; L520-K522 PolarHBondContact O-N 3.07Å; L520-I523 PolarHBondContact O-N 2.92Å; L520-L524 WeakPolarHBondContact O-CB 3.27Å; L520-L524 VanDerWaalsContact O-CG 3.24Å; L520-L524 WeakPolarHBondContact O-CG 3.27Å; L520-L524 PolarHBondContact O-N 3.36Å; L520-I538 HydrophobicContact CD2-CG2 3.9Å; L520-I541 HydrophobicContact CD1-CG2 4.16Å; L520-L545 HydrophobicContact CD1-CD1 3.83Å; L520-L563 HydrophobicContact CB-CD1 4.09Å; L520-L563 HydrophobicContact CB-CD2 4.05Å; L520-L563 HydrophobicContact CD1-CD1 3.99Å
521	E	78.1	Confident	68.4	Low	42 Å²	42	47.5 Å²	47.5	20%	0.196	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-45.1	174.3	-75.5	178.7	-178	0	0	111.8	I517 V518 L519 C525 R559 L563 R566	I517-E521 HydrophobicContact CG2-CG 4.46Å; I517-E521 WeakPolarHBondContact O-CG 3.33Å; I517-E521 PolarHBondContact O-N 3.48Å; V518-E521 PolarHBondContact O-N 3.24Å; L519-E521 PolarHBondContact O-N 2.91Å; E521-C525 VanDerWaalsContact O-CB 3.23Å; E521-C525 WeakPolarHBondContact O-CB 3.34Å; E521-C525 PolarHBondContact O-N 3.19Å; E521-C525 PolarHBondContact O-SG 2.82Å; E521-R559 WeakPolarHBondContact OE1-CB 3.4Å; E521-R559 IonicContact OE1-CZ 3.83Å; E521-R559 IonicContact OE1-NE 3.8Å; E521-R559 PolarHBondContact OE1-NE 3.4Å; E521-R559 IonicContact OE1-NH2 2.8Å; E521-R559 PolarHBondContact OE1-NH2 3.44Å; E521-R559 IonicContact OE2-CZ 3.87Å; E521-R559 IonicContact OE2-NE 2.8Å; E521-R559 PolarHBondContact OE2-NE 3.15Å; E521-R559 IonicContact OE2-NH2 3.58Å; E521-R559 PolarHBondContact OE2-NH2 3.43Å; E521-L563 HydrophobicContact CB-CD2 4.48Å; E521-L563 HydrophobicContact CG-CD2 3.74Å; E521-R566 PolarHBondContact O-NH1 3.18Å
522	K	73.6	Confident	68.3	Low	64 Å²	64	50.9 Å²	50.9	28%	0.278	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-46.5	176.7	-71.5	-174.8	-176.6	-162.6	0	111.8	N472 Y475 V518 L519 L520 C525 L526	N472-K522 PolarHBondContact O-NZ 3.42Å; Y475-K522 HydrophobicContact CD1-CB 4.36Å; Y475-K522 HydrophobicContact CD1-CD 4.39Å; Y475-K522 HydrophobicContact CD2-CB 4.44Å; Y475-K522 HydrophobicContact CE1-CB 4.4Å; Y475-K522 HydrophobicContact CE2-CB 4.45Å; Y475-K522 HydrophobicContact CG-CB 4.39Å; Y475-K522 HydrophobicContact CG-CD 4.03Å; V518-K522 WeakPolarHBondContact O-CG 3.37Å; V518-K522 PolarHBondContact O-N 3.41Å; V518-K522 VanDerWaalsContact O-N 3.11Å; L519-K522 PolarHBondContact O-N 2.99Å; L520-K522 VanDerWaalsContact C-N 3.34Å; L520-K522 PolarHBondContact O-N 3.07Å; K522-C525 PolarHBondContact O-N 3.45Å; K522-L526 WeakPolarHBondContact O-CD1 3.12Å; K522-L526 WeakPolarHBondContact O-CG 3.41Å; K522-L526 PolarHBondContact O-N 3.41Å
523	I	71.8	Confident	68.3	Low	1 Å²	1	53 Å²	53	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-47	179.4	-67.9	168.7	0	0	0	110.9	Y475 F492 L519 L520 L526 N527	Y475-I523 HydrophobicContact CE2-CG1 3.78Å; F492-I523 HydrophobicContact CE1-CD1 3.77Å; F492-I523 HydrophobicContact CZ-CD1 3.95Å; F492-I523 HydrophobicContact CZ-CG2 4.48Å; L519-I523 HydrophobicContact CD1-CD1 4.03Å; L519-I523 HydrophobicContact CD1-CG1 4.39Å; L519-I523 HydrophobicContact CD2-CD1 4.38Å; L519-I523 HydrophobicContact CG-CD1 3.76Å; L519-I523 HydrophobicContact CG-CG1 4.47Å; L519-I523 VanDerWaalsContact O-CG1 3.27Å; L519-I523 WeakPolarHBondContact O-CG1 3.32Å; L519-I523 PolarHBondContact O-N 3.14Å; L520-I523 PolarHBondContact O-N 2.92Å; I523-L526 PolarHBondContact O-N 2.91Å; I523-N527 PolarHBondContact O-N 2.59Å; I523-N527 VanDerWaalsContact O-N 3.13Å
524	L	71.6	Confident	68.1	Low	13 Å²	13	52.5 Å²	52.5	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-73.9	-24.8	-179.7	-63.9	177.7	0	0	0	113	L520 L526 L529 L563 R566 L567	L520-L524 WeakPolarHBondContact O-CB 3.27Å; L520-L524 VanDerWaalsContact O-CG 3.24Å; L520-L524 WeakPolarHBondContact O-CG 3.27Å; L520-L524 PolarHBondContact O-N 3.36Å; L524-L526 VanDerWaalsContact C-N 3.33Å; L524-L529 HydrophobicContact CD2-CD1 3.44Å; L524-L529 VanDerWaalsContact CD2-CD1 3.44Å; L524-L529 HydrophobicContact CD2-CG 4.12Å; L524-L563 HydrophobicContact CD1-CB 4.28Å; L524-L563 HydrophobicContact CD1-CD2 3.73Å; L524-R566 HydrophobicContact CB-CB 4.14Å; L524-R566 HydrophobicContact CD1-CB 4.22Å; L524-R566 WeakPolarHBondContact O-CD 3.49Å; L524-L567 HydrophobicContact CD1-CD2 4.01Å; L524-L567 HydrophobicContact CD1-CG 4Å; L524-L567 HydrophobicContact CD2-CD2 3.95Å
525	C	69.7	Low	68.1	Low	76 Å²	76	49.5 Å²	49.5	51%	0.514	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-38	173.8	-92.3	0	0	0	0	111.8	E521 K522 R566	E521-C525 VanDerWaalsContact O-CB 3.23Å; E521-C525 WeakPolarHBondContact O-CB 3.34Å; E521-C525 PolarHBondContact O-N 3.19Å; E521-C525 PolarHBondContact O-SG 2.82Å; K522-C525 PolarHBondContact O-N 3.45Å; C525-R566 VanDerWaalsContact SG-CZ 3.54Å; C525-R566 PolarHBondContact SG-NH1 2.85Å; C525-R566 PolarHBondContact SG-NH2 3.43Å
526	L	60.8	Low	68.2	Low	91 Å²	91	52.4 Å²	52.4	48%	0.476	26%	0.257	S	S	.	.	H	α-helix	trans	-104	-31.8	-162.9	-67.8	165.2	0	0	0	113.1	Y475 K522 I523 L524	Y475-L526 HydrophobicContact CD1-CD1 4.11Å; Y475-L526 HydrophobicContact CE1-CD1 3.41Å; Y475-L526 VanDerWaalsContact CE1-CD1 3.41Å; K522-L526 WeakPolarHBondContact O-CD1 3.12Å; K522-L526 WeakPolarHBondContact O-CG 3.41Å; K522-L526 PolarHBondContact O-N 3.41Å; I523-L526 PolarHBondContact O-N 2.91Å; L524-L526 VanDerWaalsContact C-N 3.33Å
527	N	58.7	Low	68.1	Low	33 Å²	33	53.5 Å²	53.5	18%	0.176	26%	0.264	C	S	.	.			trans	-109.1	127.7	-173.6	-65.2	-28.1	0	0	0	111.3	H481 A484 I523 L529	H481-N527 PolarHBondContact O-ND2 2.92Å; A484-N527 HydrophobicContact CB-CB 4.17Å; A484-N527 WeakPolarHBondContact CB-ND2 2.79Å; I523-N527 PolarHBondContact O-N 2.59Å; I523-N527 VanDerWaalsContact O-N 3.13Å; N527-L529 PolarHBondContact O-N 3.38Å
528	R	55	Low	68	Low	218 Å²	218	53.5 Å²	53.5	82%	0.823	26%	0.264	S	S	*	.			trans	-65.7	118.9	155.5	-76.1	-172.5	176.7	-166.2	-2	106.8	E530	R528-E530 HydrophobicContact CB-CG 4.1Å; R528-E530 PolarHBondContact O-N 2.86Å
529	L	58.6	Low	68	Low	42 Å²	42	52.3 Å²	52.3	22%	0.22	26%	0.257	C	S	.	.			trans	-70.2	77	175	-72.1	170.1	0	0	0	109.5	L524 N527 L531 V534 K535 I538 L567	L524-L529 HydrophobicContact CD2-CD1 3.44Å; L524-L529 VanDerWaalsContact CD2-CD1 3.44Å; L524-L529 HydrophobicContact CD2-CG 4.12Å; N527-L529 PolarHBondContact O-N 3.38Å; L529-L531 VanDerWaalsContact C-N 3.3Å; L529-V534 HydrophobicContact CD2-CG1 4.39Å; L529-K535 HydrophobicContact CD1-CG 4.36Å; L529-I538 HydrophobicContact CD2-CD1 3.73Å; L529-L567 HydrophobicContact CD1-CD2 4.35Å
530	E	52.5	Low	68.3	Low	162 Å²	162	56.7 Å²	56.7	76%	0.757	28%	0.276	S	S	*	.			trans	-77.3	-19.5	178.8	-66.3	179.7	179.5	0	0	112.1	R528	R528-E530 HydrophobicContact CB-CG 4.1Å; R528-E530 PolarHBondContact O-N 2.86Å
531	L	61.1	Low	68.3	Low	64 Å²	64	56.6 Å²	56.6	34%	0.335	28%	0.276	S	S	.	.			trans	-101.3	105.7	-174	-72.7	161.3	0	0	0	112.3	A484 I486 L529 P533 V534 K535	A484-L531 WeakPolarHBondContact O-CD1 3.33Å; I486-L531 HydrophobicContact CD1-CD2 3.83Å; I486-L531 HydrophobicContact CG1-CD1 3.93Å; I486-L531 HydrophobicContact CG1-CD2 3.88Å; I486-L531 HydrophobicContact CG1-CG 4.47Å; L529-L531 VanDerWaalsContact C-N 3.3Å; L531-P533 VanDerWaalsContact C-CD 3.41Å; L531-V534 HydrophobicContact CB-CG2 4.37Å; L531-V534 PolarHBondContact O-N 3.18Å; L531-K535 PolarHBondContact O-N 3.1Å
532	Q	61.8	Low	68.5	Low	123 Å²	123	54.6 Å²	54.6	58%	0.575	27%	0.266	S	S	*	.	H	α-helix	trans	-46.2	-44.2	176.8	-70.3	-67.8	-10.2	0	0	116	V534 K535 N536	Q532-V534 PolarHBondContact O-N 2.78Å; Q532-K535 PolarHBondContact O-N 3.12Å; Q532-N536 PolarHBondContact O-N 3.44Å
533	P	67.2	Low	68.7	Low	57 Å²	57	52 Å²	52	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-66.7	-36.5	-178.3	24.8	-34.3	0	0	0	112.9	I489 L531 V537	I489-P533 HydrophobicContact CD1-CB 4.12Å; I489-P533 HydrophobicContact CD1-CG 4.23Å; L531-P533 VanDerWaalsContact C-CD 3.41Å; P533-V537 WeakPolarHBondContact O-CG2 3.42Å; P533-V537 PolarHBondContact O-N 3.3Å
534	V	66.6	Low	68.8	Low	3 Å²	3	53.7 Å²	53.7	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-68.5	-43.3	178.1	177.1	0	0	0	0	109.8	I489 F492 L529 L531 Q532 N536 V537 I538	I489-V534 HydrophobicContact CG1-CG2 4.01Å; F492-V534 HydrophobicContact CD2-CG1 4.02Å; F492-V534 HydrophobicContact CE2-CG1 3.68Å; F492-V534 HydrophobicContact CZ-CG1 4.16Å; L529-V534 HydrophobicContact CD2-CG1 4.39Å; L531-V534 HydrophobicContact CB-CG2 4.37Å; L531-V534 PolarHBondContact O-N 3.18Å; Q532-V534 PolarHBondContact O-N 2.78Å; V534-N536 PolarHBondContact O-N 3.21Å; V534-V537 PolarHBondContact O-N 2.74Å; V534-I538 HydrophobicContact CG1-CD1 3.82Å; V534-I538 HydrophobicContact CG1-CG1 4.44Å; V534-I538 WeakPolarHBondContact O-CG1 3.27Å; V534-I538 PolarHBondContact O-N 3.41Å
535	K	73.8	Confident	69.1	Low	17 Å²	17	53 Å²	53	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-57	-49	176.2	-177.3	175.3	177.2	174.1	0	112.1	L529 L531 Q532 V537 I538 E539 L567 P569	L529-K535 HydrophobicContact CD1-CG 4.36Å; L531-K535 PolarHBondContact O-N 3.1Å; Q532-K535 PolarHBondContact O-N 3.12Å; K535-V537 VanDerWaalsContact C-N 3.27Å; K535-V537 PolarHBondContact O-N 2.9Å; K535-I538 PolarHBondContact O-N 2.86Å; K535-I538 VanDerWaalsContact O-N 3.15Å; K535-E539 WeakPolarHBondContact CE-OE1 3.35Å; K535-E539 WeakPolarHBondContact O-CB 3.34Å; K535-E539 PolarHBondContact O-N 3.26Å; K535-L567 WeakPolarHBondContact CE-O 3.39Å; K535-L567 PolarHBondContact NZ-O 2.86Å; K535-P569 WeakPolarHBondContact CE-O 3.12Å; K535-P569 VanDerWaalsContact NZ-CD 3.32Å; K535-P569 PolarHBondContact NZ-O 2.9Å
536	N	73.7	Confident	69.4	Low	65 Å²	65	49.5 Å²	49.5	35%	0.348	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-36.1	179	-72	-13.2	0	0	0	113.1	Q532 V534 K540	Q532-N536 PolarHBondContact O-N 3.44Å; V534-N536 PolarHBondContact O-N 3.21Å; N536-K540 WeakPolarHBondContact O-CG 3.22Å; N536-K540 PolarHBondContact O-N 3.03Å
537	V	72.6	Confident	70	Confident	24 Å²	24	49.8 Å²	49.8	15%	0.145	24%	0.239	C	C	.	.	H	α-helix	trans	-72.5	-43	177	-176.9	0	0	0	0	110.8	F492 V493 M496 P533 V534 K535 E539 K540 I541	F492-V537 HydrophobicContact CB-CB 4.12Å; F492-V537 HydrophobicContact CB-CG1 3.48Å; F492-V537 VanDerWaalsContact CB-CG1 3.48Å; V493-V537 HydrophobicContact CG2-CG1 4.48Å; V493-V537 HydrophobicContact CG2-CG2 4.44Å; M496-V537 HydrophobicContact CG-CG1 3.78Å; P533-V537 WeakPolarHBondContact O-CG2 3.42Å; P533-V537 PolarHBondContact O-N 3.3Å; V534-V537 PolarHBondContact O-N 2.74Å; K535-V537 VanDerWaalsContact C-N 3.27Å; K535-V537 PolarHBondContact O-N 2.9Å; V537-E539 VanDerWaalsContact C-N 3.3Å; V537-E539 PolarHBondContact O-N 3.47Å; V537-K540 PolarHBondContact O-N 3.28Å; V537-K540 VanDerWaalsContact O-N 3.16Å; V537-I541 HydrophobicContact CG1-CD1 4.42Å; V537-I541 WeakPolarHBondContact O-CG1 3.41Å; V537-I541 PolarHBondContact O-N 3.3Å
538	I	75.2	Confident	70.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-41.9	176.8	-66	169.2	0	0	0	110.9	F492 L520 L529 V534 K535 K540 I541 W542 L567	F492-I538 HydrophobicContact CD1-CD1 4.46Å; F492-I538 HydrophobicContact CD1-CG1 3.87Å; F492-I538 HydrophobicContact CE1-CD1 3.97Å; F492-I538 HydrophobicContact CE1-CG1 3.84Å; F492-I538 HydrophobicContact CZ-CD1 4.22Å; F492-I538 HydrophobicContact CZ-CG1 4.49Å; L520-I538 HydrophobicContact CD2-CG2 3.9Å; L529-I538 HydrophobicContact CD2-CD1 3.73Å; V534-I538 HydrophobicContact CG1-CD1 3.82Å; V534-I538 HydrophobicContact CG1-CG1 4.44Å; V534-I538 WeakPolarHBondContact O-CG1 3.27Å; V534-I538 PolarHBondContact O-N 3.41Å; K535-I538 PolarHBondContact O-N 2.86Å; K535-I538 VanDerWaalsContact O-N 3.15Å; I538-K540 VanDerWaalsContact C-N 3.3Å; I538-K540 PolarHBondContact O-N 3.47Å; I538-I541 WeakPolarHBondContact O-CB 3.45Å; I538-I541 PolarHBondContact O-N 3.46Å; I538-W542 WeakPolarHBondContact O-CB 3.38Å; I538-W542 PolarHBondContact O-N 3.4Å; I538-L567 HydrophobicContact CB-CD2 4.48Å; I538-L567 HydrophobicContact CG2-CD2 3.55Å
539	E	78.6	Confident	71.5	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-55.5	-43.9	173.6	-93.2	-174.7	-157.1	0	0	112.3	K535 V537 W542 C543 S571 T574	K535-E539 WeakPolarHBondContact CE-OE1 3.35Å; K535-E539 WeakPolarHBondContact O-CB 3.34Å; K535-E539 PolarHBondContact O-N 3.26Å; V537-E539 VanDerWaalsContact C-N 3.3Å; V537-E539 PolarHBondContact O-N 3.47Å; E539-W542 PolarHBondContact O-N 3.25Å; E539-C543 PolarHBondContact O-N 3.12Å; E539-C543 PolarHBondContact O-SG 3.45Å; E539-C543 VanDerWaalsContact O-SG 3.4Å; E539-S571 PolarHBondContact OE1-N 2.83Å; E539-S571 WeakPolarHBondContact OE2-CB 3.35Å; E539-S571 PolarHBondContact OE2-N 3.42Å; E539-S571 PolarHBondContact OE2-OG 2.82Å; E539-T574 HydrophobicContact CB-CG2 3.46Å; E539-T574 VanDerWaalsContact CB-CG2 3.46Å; E539-T574 HydrophobicContact CG-CG2 3.77Å; E539-T574 VanDerWaalsContact OE2-CG2 3.24Å; E539-T574 WeakPolarHBondContact OE2-CG2 3.5Å; E539-T574 PolarHBondContact OE2-OG1 3.48Å
540	K	78.2	Confident	72	Confident	91 Å²	91	40.5 Å²	40.5	40%	0.396	22%	0.22	S	C	.	.	H	α-helix	trans	-65.7	-40.1	175.6	-71	179.8	-175.1	-159.9	0	112.6	M496 N536 V537 I538 W542 C543 S544 E573	M496-K540 HydrophobicContact CE-CB 3.58Å; M496-K540 HydrophobicContact SD-CB 3.61Å; N536-K540 WeakPolarHBondContact O-CG 3.22Å; N536-K540 PolarHBondContact O-N 3.03Å; V537-K540 PolarHBondContact O-N 3.28Å; V537-K540 VanDerWaalsContact O-N 3.16Å; I538-K540 VanDerWaalsContact C-N 3.3Å; I538-K540 PolarHBondContact O-N 3.47Å; K540-W542 VanDerWaalsContact C-N 3.32Å; K540-C543 PolarHBondContact O-N 2.97Å; K540-S544 PolarHBondContact O-N 3.33Å; K540-S544 PolarHBondContact O-OG 2.87Å; K540-E573 WeakPolarHBondContact CE-OE2 3.43Å; K540-E573 IonicContact NZ-OE2 2.78Å; K540-E573 PolarHBondContact NZ-OE2 3.38Å
541	I	75.3	Confident	72.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-45.8	175.6	-63.2	168.7	0	0	0	109.2	F492 L495 M496 I516 L520 V537 I538 C543 S544 L545	F492-I541 HydrophobicContact CB-CD1 4.4Å; F492-I541 HydrophobicContact CD1-CD1 4.23Å; L495-I541 HydrophobicContact CB-CD1 3.72Å; L495-I541 HydrophobicContact CB-CG1 4.5Å; L495-I541 HydrophobicContact CD1-CD1 4.28Å; M496-I541 HydrophobicContact CG-CD1 4.25Å; M496-I541 HydrophobicContact CG-CG1 3.5Å; M496-I541 VanDerWaalsContact CG-CG1 3.5Å; M496-I541 WeakPolarHBondContact SD-CA 3.16Å; M496-I541 HydrophobicContact SD-CB 3.97Å; M496-I541 HydrophobicContact SD-CG1 3.28Å; M496-I541 WeakPolarHBondContact SD-CG1 3.3Å; M496-I541 PolarHBondContact SD-N 3.33Å; I516-I541 HydrophobicContact CG2-CG2 4.01Å; L520-I541 HydrophobicContact CD1-CG2 4.16Å; V537-I541 HydrophobicContact CG1-CD1 4.42Å; V537-I541 WeakPolarHBondContact O-CG1 3.41Å; V537-I541 PolarHBondContact O-N 3.3Å; I538-I541 WeakPolarHBondContact O-CB 3.45Å; I538-I541 PolarHBondContact O-N 3.46Å; I541-C543 VanDerWaalsContact C-N 3.33Å; I541-C543 PolarHBondContact O-N 3Å; I541-S544 WeakPolarHBondContact CA-OG 3.2Å; I541-S544 PolarHBondContact O-N 2.98Å; I541-S544 PolarHBondContact O-OG 3.31Å; I541-L545 HydrophobicContact CG2-CD1 4.26Å; I541-L545 WeakPolarHBondContact O-CG 3.32Å; I541-L545 PolarHBondContact O-N 2.96Å
542	W	81.7	Confident	73.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-41.3	178.4	-177.8	67.9	0	0	0	111.7	I538 E539 K540 S544 L545 L546 C560 A564 L567 F570 L578 L594	I538-W542 WeakPolarHBondContact O-CB 3.38Å; I538-W542 PolarHBondContact O-N 3.4Å; E539-W542 PolarHBondContact O-N 3.25Å; K540-W542 VanDerWaalsContact C-N 3.32Å; W542-S544 VanDerWaalsContact C-N 3.35Å; W542-S544 PolarHBondContact O-N 2.86Å; W542-L545 WeakPolarHBondContact O-CB 3.21Å; W542-L545 PolarHBondContact O-N 3.22Å; W542-L546 HydrophobicContact CD2-CD1 3.93Å; W542-L546 HydrophobicContact CD2-CG 4.21Å; W542-L546 HydrophobicContact CE3-CD1 3.8Å; W542-L546 HydrophobicContact CH2-CD1 3.71Å; W542-L546 HydrophobicContact CZ2-CD1 3.76Å; W542-L546 HydrophobicContact CZ2-CD2 4Å; W542-L546 HydrophobicContact CZ2-CG 4.17Å; W542-L546 HydrophobicContact CZ3-CD1 3.7Å; W542-L546 WeakPolarHBondContact O-CG 3.48Å; W542-L546 PolarHBondContact O-N 3.28Å; W542-C560 PolarHBondContact NE1-O 3.31Å; W542-A564 HydrophobicContact CH2-CB 3.89Å; W542-A564 HydrophobicContact CZ2-CB 3.67Å; W542-L567 HydrophobicContact CB-CD1 3.86Å; W542-L567 HydrophobicContact CD2-CD1 3.76Å; W542-L567 HydrophobicContact CE3-CD1 4.16Å; W542-L567 HydrophobicContact CG-CD1 3.61Å; W542-F570 HydrophobicContact CE3-CE1 4.27Å; W542-F570 HydrophobicContact CH2-CE1 4.08Å; W542-F570 HydrophobicContact CH2-CZ 4.01Å; W542-F570 HydrophobicContact CZ3-CD1 4.33Å; W542-F570 AromaticContact CZ3-CE1 3.65Å; W542-F570 HydrophobicContact CZ3-CE1 3.65Å; W542-F570 HydrophobicContact CZ3-CZ 4.03Å; W542-L578 HydrophobicContact CH2-CD1 4.19Å; W542-L578 HydrophobicContact CH2-CD2 3.61Å; W542-L578 HydrophobicContact CH2-CG 4.29Å; W542-L578 HydrophobicContact CZ3-CD1 4.04Å; W542-L578 HydrophobicContact CZ3-CD2 3.87Å; W542-L578 HydrophobicContact CZ3-CG 4.11Å; W542-L594 HydrophobicContact CH2-CD1 4.22Å; W542-L594 HydrophobicContact CZ2-CD1 3.85Å
543	C	78.7	Confident	74.3	Confident	8 Å²	8	29.3 Å²	29.3	5%	0.054	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-40.4	173.3	-74.2	0	0	0	0	112.9	E539 K540 I541 L546 H547 T574 C577	E539-C543 PolarHBondContact O-N 3.12Å; E539-C543 PolarHBondContact O-SG 3.45Å; E539-C543 VanDerWaalsContact O-SG 3.4Å; K540-C543 PolarHBondContact O-N 2.97Å; I541-C543 VanDerWaalsContact C-N 3.33Å; I541-C543 PolarHBondContact O-N 3Å; C543-L546 WeakPolarHBondContact O-CB 3.21Å; C543-L546 PolarHBondContact O-N 3.41Å; C543-H547 PolarHBondContact O-N 3Å; C543-H547 PolarHBondContact O-ND1 3.42Å; C543-T574 VanDerWaalsContact SG-CG2 3.59Å; C543-C577 HydrophobicContact CB-CB 4.15Å; C543-C577 VanDerWaalsContact SG-CB 3.56Å
544	S	73.4	Confident	74.7	Confident	37 Å²	37	30.1 Å²	30.1	26%	0.259	19%	0.186	S	C	.	.	H	α-helix	trans	-67.2	-38.2	173.9	31.9	0	0	0	0	112.6	E499 K540 I541 W542 L546 H547 A548	E499-S544 WeakPolarHBondContact OE2-CB 3.42Å; E499-S544 PolarHBondContact OE2-OG 3.31Å; K540-S544 PolarHBondContact O-N 3.33Å; K540-S544 PolarHBondContact O-OG 2.87Å; I541-S544 WeakPolarHBondContact CA-OG 3.2Å; I541-S544 PolarHBondContact O-N 2.98Å; I541-S544 PolarHBondContact O-OG 3.31Å; W542-S544 VanDerWaalsContact C-N 3.35Å; W542-S544 PolarHBondContact O-N 2.86Å; S544-L546 VanDerWaalsContact C-N 3.31Å; S544-L546 PolarHBondContact O-N 3.31Å; S544-H547 PolarHBondContact O-N 3.04Å; S544-A548 PolarHBondContact O-N 3.02Å
545	L	77.4	Confident	75.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-38.6	171.5	-72	172.7	0	0	0	112.5	E499 H513 I516 I517 L520 I541 W542 A548 A549 F552	E499-L545 WeakPolarHBondContact OE1-CD2 3.43Å; E499-L545 VanDerWaalsContact OE1-CG 3.26Å; E499-L545 WeakPolarHBondContact OE1-CG 3.28Å; H513-L545 HydrophobicContact CB-CD2 4.14Å; H513-L545 WeakPolarHBondContact ND1-CD2 3.41Å; I516-L545 HydrophobicContact CG2-CD1 4Å; I517-L545 HydrophobicContact CG1-CD1 3.99Å; L520-L545 HydrophobicContact CD1-CD1 3.83Å; I541-L545 HydrophobicContact CG2-CD1 4.26Å; I541-L545 WeakPolarHBondContact O-CG 3.32Å; I541-L545 PolarHBondContact O-N 2.96Å; W542-L545 WeakPolarHBondContact O-CB 3.21Å; W542-L545 PolarHBondContact O-N 3.22Å; L545-A548 CarbonylContact O-C 3.58Å; L545-A548 PolarHBondContact O-N 3.1Å; L545-A549 PolarHBondContact O-N 3.08Å; L545-F552 HydrophobicContact CD2-CZ 4.18Å
546	L	76	Confident	75.6	Confident	2 Å²	2	36 Å²	36	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-43.2	174.4	-72.8	174.7	0	0	0	111.4	W542 C543 S544 A548 A549 F561 L578 F581 L594	W542-L546 HydrophobicContact CD2-CD1 3.93Å; W542-L546 HydrophobicContact CD2-CG 4.21Å; W542-L546 HydrophobicContact CE3-CD1 3.8Å; W542-L546 HydrophobicContact CH2-CD1 3.71Å; W542-L546 HydrophobicContact CZ2-CD1 3.76Å; W542-L546 HydrophobicContact CZ2-CD2 4Å; W542-L546 HydrophobicContact CZ2-CG 4.17Å; W542-L546 HydrophobicContact CZ3-CD1 3.7Å; W542-L546 WeakPolarHBondContact O-CG 3.48Å; W542-L546 PolarHBondContact O-N 3.28Å; C543-L546 WeakPolarHBondContact O-CB 3.21Å; C543-L546 PolarHBondContact O-N 3.41Å; S544-L546 VanDerWaalsContact C-N 3.31Å; S544-L546 PolarHBondContact O-N 3.31Å; L546-A548 PolarHBondContact O-N 3.35Å; L546-A549 WeakPolarHBondContact O-CB 3.08Å; L546-A549 PolarHBondContact O-N 2.93Å; L546-F561 HydrophobicContact CD2-CD1 3.73Å; L546-F561 HydrophobicContact CD2-CE1 3.61Å; L546-L578 HydrophobicContact CD1-CD2 3.65Å; L546-F581 HydrophobicContact CB-CD2 4.13Å; L546-F581 HydrophobicContact CB-CE2 4.43Å; L546-F581 HydrophobicContact CB-CG 4.38Å; L546-F581 HydrophobicContact CD2-CE1 4.48Å; L546-F581 WeakPolarHBondContact O-CD2 3.39Å; L546-F581 WeakPolarHBondContact O-CE2 3.44Å; L546-L594 HydrophobicContact CD2-CD1 4.39Å
547	H	73.6	Confident	75.9	Confident	96 Å²	96	34 Å²	34	44%	0.444	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-29.4	176.3	-70.9	87.7	0	0	0	112.8	C543 S544 H580	C543-H547 PolarHBondContact O-N 3Å; C543-H547 PolarHBondContact O-ND1 3.42Å; S544-H547 PolarHBondContact O-N 3.04Å; H547-H580 AromaticContact NE2-CE1 3.77Å; H547-H580 AromaticContact NE2-ND1 3.44Å; H547-H580 PolarHBondContact NE2-ND1 3.05Å
548	A	74.1	Confident	76.3	Confident	14 Å²	14	38.8 Å²	38.8	12%	0.116	22%	0.217	C	C	.	.	H	α-helix	trans	-86.9	-10.4	174.5	0	0	0	0	0	113.9	S544 L545 L546 A550 A551 F552	S544-A548 PolarHBondContact O-N 3.02Å; L545-A548 CarbonylContact O-C 3.58Å; L545-A548 PolarHBondContact O-N 3.1Å; L546-A548 PolarHBondContact O-N 3.35Å; A548-A550 PolarHBondContact O-N 2.81Å; A548-A550 VanDerWaalsContact O-N 3.14Å; A548-A551 PolarHBondContact O-N 3.27Å; A548-F552 HydrophobicContact CB-CE1 4.08Å; A548-F552 HydrophobicContact CB-CZ 3.95Å
549	A	71.5	Confident	76.7	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.008	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-64.3	-24.2	-169	0	0	0	0	0	114.4	L545 L546 A551 F552 R557 F561 F581	L545-A549 PolarHBondContact O-N 3.08Å; L546-A549 WeakPolarHBondContact O-CB 3.08Å; L546-A549 PolarHBondContact O-N 2.93Å; A549-A551 PolarHBondContact O-N 2.84Å; A549-F552 HydrophobicContact CB-CD2 4.07Å; A549-F552 HydrophobicContact CB-CE2 4.21Å; A549-F552 WeakPolarHBondContact O-CB 3.45Å; A549-F552 PolarHBondContact O-N 2.78Å; A549-R557 HydrophobicContact CB-CG 4.4Å; A549-R557 PolarHBondContact O-NE 2.95Å; A549-F561 HydrophobicContact CB-CE1 4.22Å; A549-F581 HydrophobicContact CB-CE2 4.38Å; A549-F581 HydrophobicContact CB-CZ 4.48Å
550	A	68.1	Low	76.9	Confident	83 Å²	83	41 Å²	41	69%	0.686	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-58.5	-31.8	173.8	0	0	0	0	0	112.3	A548 R557	A548-A550 PolarHBondContact O-N 2.81Å; A548-A550 VanDerWaalsContact O-N 3.14Å; A550-R557 PolarHBondContact O-NH2 3.45Å
551	A	70.7	Confident	77.1	Confident	43 Å²	43	36.7 Å²	36.7	36%	0.355	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-82.9	-10.6	178	0	0	0	0	0	113.4	W510 A548 A549	W510-A551 WeakPolarHBondContact CH2-O 3.47Å; W510-A551 HydrophobicContact CZ2-CB 4.23Å; W510-A551 WeakPolarHBondContact CZ2-O 3.29Å; W510-A551 WeakPolarHBondContact CZ3-O 3.48Å; A548-A551 PolarHBondContact O-N 3.27Å; A549-A551 PolarHBondContact O-N 2.84Å
552	F	76.5	Confident	77.4	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.035	22%	0.22	C	C	.	.	S	Bend	trans	-76.5	153.2	-174.9	-63.7	-12.9	0	0	0	112.7	H513 I517 L545 A548 A549 L556 R557 C560	H513-F552 HydrophobicContact CB-CE1 3.67Å; H513-F552 HydrophobicContact CB-CZ 3.66Å; H513-F552 AromaticContact CD2-CE1 3.78Å; H513-F552 AromaticContact CG-CE1 3.73Å; H513-F552 AromaticContact CG-CZ 3.79Å; I517-F552 HydrophobicContact CD1-CD2 4.42Å; I517-F552 HydrophobicContact CD1-CE2 3.96Å; L545-F552 HydrophobicContact CD2-CZ 4.18Å; A548-F552 HydrophobicContact CB-CE1 4.08Å; A548-F552 HydrophobicContact CB-CZ 3.95Å; A549-F552 HydrophobicContact CB-CD2 4.07Å; A549-F552 HydrophobicContact CB-CE2 4.21Å; A549-F552 WeakPolarHBondContact O-CB 3.45Å; A549-F552 PolarHBondContact O-N 2.78Å; F552-L556 HydrophobicContact CB-CB 4.16Å; F552-L556 HydrophobicContact CB-CD2 4.22Å; F552-L556 HydrophobicContact CB-CG 4.25Å; F552-L556 HydrophobicContact CD1-CD2 4.08Å; F552-L556 HydrophobicContact CD2-CD2 4.25Å; F552-L556 HydrophobicContact CD2-CG 4.08Å; F552-L556 HydrophobicContact CG-CD2 3.92Å; F552-L556 HydrophobicContact CG-CG 4.12Å; F552-R557 HydrophobicContact CB-CB 4.25Å; F552-C560 HydrophobicContact CE2-CB 4.44Å
553	S	77.2	Confident	77.3	Confident	63 Å²	63	38.9 Å²	38.9	44%	0.441	22%	0.221	S	C	.	.			trans	-60.1	151.4	163.3	65.6	0	0	0	0	110.7	H555 L556 R557	S553-H555 PolarHBondContact O-N 2.9Å; S553-H555 VanDerWaalsContact O-N 3.16Å; S553-L556 PolarHBondContact O-N 2.8Å; S553-L556 WeakPolarHBondContact OG-CB 3.2Å; S553-L556 PolarHBondContact OG-N 3.32Å; S553-R557 WeakPolarHBondContact O-CB 3.41Å; S553-R557 PolarHBondContact O-N 3.46Å
554	C	77	Confident	77.3	Confident	75 Å²	75	38.5 Å²	38.5	51%	0.507	22%	0.219	S	C	.	.	H	α-helix	trans	-50.5	-43	-179.4	179.1	0	0	0	0	112.7	R557 R558	C554-R557 PolarHBondContact O-N 3.37Å; C554-R558 PolarHBondContact O-N 3.41Å; C554-R558 VanDerWaalsContact O-N 3.08Å
555	H	79.6	Confident	77.5	Confident	132 Å²	132	41.4 Å²	41.4	61%	0.611	23%	0.227	S	C	*	.	H	α-helix	trans	-65.1	-45.9	178.2	-174	-1.1	0	0	0	112.3	S553 R557 R558 R559	S553-H555 PolarHBondContact O-N 2.9Å; S553-H555 VanDerWaalsContact O-N 3.16Å; H555-R557 VanDerWaalsContact C-N 3.29Å; H555-R557 PolarHBondContact O-N 2.83Å; H555-R558 PolarHBondContact O-N 3.47Å; H555-R559 PolarHBondContact O-N 2.93Å; H555-R559 VanDerWaalsContact O-N 3.07Å
556	L	78.9	Confident	77.3	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-36.1	-179.4	-175.3	59.3	0	0	0	111.5	H514 I517 F552 S553 R559 C560	H514-L556 HydrophobicContact CB-CD1 4.36Å; H514-L556 HydrophobicContact CB-CD2 4.25Å; H514-L556 WeakPolarHBondContact ND1-CD1 3.01Å; I517-L556 HydrophobicContact CB-CD1 4.28Å; I517-L556 HydrophobicContact CD1-CD1 3.44Å; I517-L556 VanDerWaalsContact CD1-CD1 3.44Å; I517-L556 HydrophobicContact CD1-CD2 4.39Å; I517-L556 HydrophobicContact CD1-CG 3.79Å; I517-L556 HydrophobicContact CG1-CD1 4.44Å; I517-L556 HydrophobicContact CG2-CD1 4.29Å; F552-L556 HydrophobicContact CB-CB 4.16Å; F552-L556 HydrophobicContact CB-CD2 4.22Å; F552-L556 HydrophobicContact CB-CG 4.25Å; F552-L556 HydrophobicContact CD1-CD2 4.08Å; F552-L556 HydrophobicContact CD2-CD2 4.25Å; F552-L556 HydrophobicContact CD2-CG 4.08Å; F552-L556 HydrophobicContact CG-CD2 3.92Å; F552-L556 HydrophobicContact CG-CG 4.12Å; S553-L556 PolarHBondContact O-N 2.8Å; S553-L556 WeakPolarHBondContact OG-CB 3.2Å; S553-L556 PolarHBondContact OG-N 3.32Å; L556-R559 PolarHBondContact O-N 2.78Å; L556-C560 PolarHBondContact O-N 2.91Å
557	R	79.7	Confident	77.4	Confident	23 Å²	23	46.6 Å²	46.6	9%	0.087	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-48.8	174.8	-160.5	-173.9	-66.2	163.5	-2.9	111.4	A549 A550 F552 S553 C554 H555 R559 C560 F561 E587 D590	A549-R557 HydrophobicContact CB-CG 4.4Å; A549-R557 PolarHBondContact O-NE 2.95Å; A550-R557 PolarHBondContact O-NH2 3.45Å; F552-R557 HydrophobicContact CB-CB 4.25Å; S553-R557 WeakPolarHBondContact O-CB 3.41Å; S553-R557 PolarHBondContact O-N 3.46Å; C554-R557 PolarHBondContact O-N 3.37Å; H555-R557 VanDerWaalsContact C-N 3.29Å; H555-R557 PolarHBondContact O-N 2.83Å; R557-R559 VanDerWaalsContact C-N 3.35Å; R557-R559 PolarHBondContact O-N 2.85Å; R557-C560 WeakPolarHBondContact O-CB 3.31Å; R557-C560 PolarHBondContact O-N 3.36Å; R557-C560 VanDerWaalsContact O-N 3.15Å; R557-F561 HydrophobicContact CG-CD2 4.2Å; R557-F561 HydrophobicContact CG-CE1 4.19Å; R557-F561 HydrophobicContact CG-CE2 3.46Å; R557-F561 VanDerWaalsContact CG-CE2 3.46Å; R557-F561 HydrophobicContact CG-CZ 3.46Å; R557-F561 VanDerWaalsContact CG-CZ 3.46Å; R557-F561 WeakPolarHBondContact O-CD2 3.5Å; R557-F561 VanDerWaalsContact O-CG 3.27Å; R557-F561 WeakPolarHBondContact O-CG 3.34Å; R557-F561 PolarHBondContact O-N 2.93Å; R557-E587 IonicContact CZ-OE1 3.7Å; R557-E587 IonicContact NH1-OE1 3.99Å; R557-E587 PolarHBondContact NH1-OE1 3.47Å; R557-E587 VanDerWaalsContact NH1-OE1 3.11Å; R557-E587 IonicContact NH1-OE2 2.57Å; R557-E587 PolarHBondContact NH1-OE2 2.86Å; R557-E587 IonicContact NH2-OE1 3.8Å; R557-D590 VanDerWaalsContact CD-CG 3.43Å; R557-D590 WeakPolarHBondContact CD-OD1 3.32Å; R557-D590 WeakPolarHBondContact CD-OD2 3.09Å; R557-D590 IonicContact CZ-OD2 3.53Å; R557-D590 IonicContact NE-OD2 3.05Å; R557-D590 IonicContact NH1-OD1 3.83Å; R557-D590 IonicContact NH1-OD2 3.34Å; R557-D590 PolarHBondContact NH1-OD2 2.8Å
558	R	81.6	Confident	77.4	Confident	126 Å²	126	42.9 Å²	42.9	48%	0.475	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-39.3	174.7	-71.8	-174.8	179.6	-171.7	-0.2	113.4	C554 H555 F561 S562 F593	C554-R558 PolarHBondContact O-N 3.41Å; C554-R558 VanDerWaalsContact O-N 3.08Å; H555-R558 PolarHBondContact O-N 3.47Å; R558-F561 PolarHBondContact O-N 2.96Å; R558-S562 PolarHBondContact O-N 3.34Å; R558-F593 HydrophobicContact CB-CE1 4.15Å; R558-F593 HydrophobicContact CB-CZ 4.44Å; R558-F593 HydrophobicContact CG-CD1 4.45Å; R558-F593 HydrophobicContact CG-CE1 4.35Å; R558-F593 WeakPolarHBondContact O-CE1 3.31Å
559	R	82.6	Confident	77.4	Confident	50 Å²	50	43 Å²	43	19%	0.189	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-38.8	174.1	-73.7	-179.7	73.2	178.2	2.4	112.4	H514 I517 E521 H555 L556 R557 S562	H514-R559 PolarHBondContact CE1-NH1 3.44Å; H514-R559 VanDerWaalsContact CE1-NH1 3.33Å; I517-R559 HydrophobicContact CG2-CB 3.9Å; E521-R559 WeakPolarHBondContact OE1-CB 3.4Å; E521-R559 IonicContact OE1-CZ 3.83Å; E521-R559 IonicContact OE1-NE 3.8Å; E521-R559 PolarHBondContact OE1-NE 3.4Å; E521-R559 IonicContact OE1-NH2 2.8Å; E521-R559 PolarHBondContact OE1-NH2 3.44Å; E521-R559 IonicContact OE2-CZ 3.87Å; E521-R559 IonicContact OE2-NE 2.8Å; E521-R559 PolarHBondContact OE2-NE 3.15Å; E521-R559 IonicContact OE2-NH2 3.58Å; E521-R559 PolarHBondContact OE2-NH2 3.43Å; H555-R559 PolarHBondContact O-N 2.93Å; H555-R559 VanDerWaalsContact O-N 3.07Å; L556-R559 PolarHBondContact O-N 2.78Å; R557-R559 VanDerWaalsContact C-N 3.35Å; R557-R559 PolarHBondContact O-N 2.85Å; R559-S562 PolarHBondContact O-OG 2.95Å
560	C	82.4	Confident	77.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-44.1	173.7	-172.1	0	0	0	0	111.4	I517 W542 F552 L556 R557 L563	I517-C560 HydrophobicContact CD1-CB 3.87Å; W542-C560 PolarHBondContact NE1-O 3.31Å; F552-C560 HydrophobicContact CE2-CB 4.44Å; L556-C560 PolarHBondContact O-N 2.91Å; R557-C560 WeakPolarHBondContact O-CB 3.31Å; R557-C560 PolarHBondContact O-N 3.36Å; R557-C560 VanDerWaalsContact O-N 3.15Å; C560-L563 WeakPolarHBondContact O-CB 3.3Å; C560-L563 PolarHBondContact O-N 2.88Å
561	F	82.7	Confident	78.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.6	-33.1	-179.8	-61.9	-21.9	0	0	0	113.3	L546 A549 R557 R558 L563 A564 F581 D590 F593 L594	L546-F561 HydrophobicContact CD2-CD1 3.73Å; L546-F561 HydrophobicContact CD2-CE1 3.61Å; A549-F561 HydrophobicContact CB-CE1 4.22Å; R557-F561 HydrophobicContact CG-CD2 4.2Å; R557-F561 HydrophobicContact CG-CE1 4.19Å; R557-F561 HydrophobicContact CG-CE2 3.46Å; R557-F561 VanDerWaalsContact CG-CE2 3.46Å; R557-F561 HydrophobicContact CG-CZ 3.46Å; R557-F561 VanDerWaalsContact CG-CZ 3.46Å; R557-F561 WeakPolarHBondContact O-CD2 3.5Å; R557-F561 VanDerWaalsContact O-CG 3.27Å; R557-F561 WeakPolarHBondContact O-CG 3.34Å; R557-F561 PolarHBondContact O-N 2.93Å; R558-F561 PolarHBondContact O-N 2.96Å; F561-L563 PolarHBondContact O-N 3.41Å; F561-A564 WeakPolarHBondContact O-CB 3.34Å; F561-A564 PolarHBondContact O-N 2.98Å; F561-F581 HydrophobicContact CE1-CE1 4.18Å; F561-F581 HydrophobicContact CE1-CZ 4.01Å; F561-F581 HydrophobicContact CZ-CE1 4.26Å; F561-F581 HydrophobicContact CZ-CZ 4Å; F561-D590 HydrophobicContact CE2-CB 3.63Å; F561-D590 HydrophobicContact CZ-CB 4.18Å; F561-F593 HydrophobicContact CB-CD1 3.67Å; F561-F593 HydrophobicContact CB-CE1 3.73Å; F561-F593 AromaticContact CD2-CD1 3.93Å; F561-F593 HydrophobicContact CD2-CD1 3.93Å; F561-F593 HydrophobicContact CG-CD1 4.33Å; F561-L594 HydrophobicContact CB-CD1 3.94Å; F561-L594 HydrophobicContact CD1-CD1 3.67Å; F561-L594 HydrophobicContact CE1-CD1 4.39Å; F561-L594 HydrophobicContact CG-CB 4.36Å; F561-L594 HydrophobicContact CG-CD1 3.92Å
562	S	81.3	Confident	78.2	Confident	41 Å²	41	44.9 Å²	44.9	29%	0.287	22%	0.216	S	C	.	.	H	α-helix	trans	-65.1	-20.7	176.7	68.4	0	0	0	0	113.4	R558 R559 A564 F565	R558-S562 PolarHBondContact O-N 3.34Å; R559-S562 PolarHBondContact O-OG 2.95Å; S562-A564 PolarHBondContact O-N 2.9Å; S562-F565 WeakPolarHBondContact O-CB 3.26Å; S562-F565 PolarHBondContact O-N 2.87Å
563	L	81.6	Confident	78.1	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.8	171.7	-61.3	172.1	0	0	0	111.9	L520 E521 L524 C560 F561 F565 R566 L567	L520-L563 HydrophobicContact CB-CD1 4.09Å; L520-L563 HydrophobicContact CB-CD2 4.05Å; L520-L563 HydrophobicContact CD1-CD1 3.99Å; E521-L563 HydrophobicContact CB-CD2 4.48Å; E521-L563 HydrophobicContact CG-CD2 3.74Å; L524-L563 HydrophobicContact CD1-CB 4.28Å; L524-L563 HydrophobicContact CD1-CD2 3.73Å; C560-L563 WeakPolarHBondContact O-CB 3.3Å; C560-L563 PolarHBondContact O-N 2.88Å; F561-L563 PolarHBondContact O-N 3.41Å; L563-F565 PolarHBondContact O-N 3.5Å; L563-R566 PolarHBondContact O-N 2.98Å; L563-R566 VanDerWaalsContact O-N 3.1Å; L563-L567 HydrophobicContact CB-CD1 4.13Å; L563-L567 WeakPolarHBondContact O-CG 3.48Å; L563-L567 PolarHBondContact O-N 2.8Å; L563-L567 VanDerWaalsContact O-N 3.12Å
564	A	77.9	Confident	78.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.1	-38	179	0	0	0	0	0	112.6	W542 F561 S562 R566 L567 A568 F570 L594 M597 V598	W542-A564 HydrophobicContact CH2-CB 3.89Å; W542-A564 HydrophobicContact CZ2-CB 3.67Å; F561-A564 WeakPolarHBondContact O-CB 3.34Å; F561-A564 PolarHBondContact O-N 2.98Å; S562-A564 PolarHBondContact O-N 2.9Å; A564-R566 PolarHBondContact O-N 3.1Å; A564-L567 PolarHBondContact O-N 3.19Å; A564-A568 PolarHBondContact O-N 3.07Å; A564-F570 HydrophobicContact CB-CZ 4.01Å; A564-L594 HydrophobicContact CB-CD1 4.39Å; A564-M597 HydrophobicContact CB-CB 4.08Å; A564-V598 HydrophobicContact CB-CG2 4.04Å
565	F	77.5	Confident	78.1	Confident	98 Å²	98	44 Å²	44	43%	0.43	20%	0.198	S	C	.	.	H	α-helix	trans	-57.2	-36	-179.8	173.4	-111.4	0	0	0	112.7	S562 L563 M597 H600 G601	S562-F565 WeakPolarHBondContact O-CB 3.26Å; S562-F565 PolarHBondContact O-N 2.87Å; L563-F565 PolarHBondContact O-N 3.5Å; F565-M597 WeakPolarHBondContact CA-O 3.47Å; F565-M597 HydrophobicContact CB-CB 4.4Å; F565-M597 HydrophobicContact CB-SD 4.38Å; F565-H600 HydrophobicContact CD2-CB 3.51Å; F565-H600 HydrophobicContact CE2-CB 3.66Å; F565-G601 WeakPolarHBondContact O-CA 3.36Å
566	R	73.8	Confident	77.7	Confident	110 Å²	110	43.4 Å²	43.4	42%	0.415	20%	0.195	S	C	.	.	H	α-helix	trans	-98.9	-15.9	-177.3	-63.2	-172.1	-178	157.8	-6.6	114.3	E521 L524 C525 L563 A564	E521-R566 PolarHBondContact O-NH1 3.18Å; L524-R566 HydrophobicContact CB-CB 4.14Å; L524-R566 HydrophobicContact CD1-CB 4.22Å; L524-R566 WeakPolarHBondContact O-CD 3.49Å; C525-R566 VanDerWaalsContact SG-CZ 3.54Å; C525-R566 PolarHBondContact SG-NH1 2.85Å; C525-R566 PolarHBondContact SG-NH2 3.43Å; L563-R566 PolarHBondContact O-N 2.98Å; L563-R566 VanDerWaalsContact O-N 3.1Å; A564-R566 PolarHBondContact O-N 3.1Å
567	L	77.3	Confident	77.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-80.8	-26.3	177	-71.2	170.5	0	0	0	112.2	L524 L529 K535 I538 W542 L563 A564 F570	L524-L567 HydrophobicContact CD1-CD2 4.01Å; L524-L567 HydrophobicContact CD1-CG 4Å; L524-L567 HydrophobicContact CD2-CD2 3.95Å; L529-L567 HydrophobicContact CD1-CD2 4.35Å; K535-L567 WeakPolarHBondContact CE-O 3.39Å; K535-L567 PolarHBondContact NZ-O 2.86Å; I538-L567 HydrophobicContact CB-CD2 4.48Å; I538-L567 HydrophobicContact CG2-CD2 3.55Å; W542-L567 HydrophobicContact CB-CD1 3.86Å; W542-L567 HydrophobicContact CD2-CD1 3.76Å; W542-L567 HydrophobicContact CE3-CD1 4.16Å; W542-L567 HydrophobicContact CG-CD1 3.61Å; L563-L567 HydrophobicContact CB-CD1 4.13Å; L563-L567 WeakPolarHBondContact O-CG 3.48Å; L563-L567 PolarHBondContact O-N 2.8Å; L563-L567 VanDerWaalsContact O-N 3.12Å; A564-L567 PolarHBondContact O-N 3.19Å; L567-F570 HydrophobicContact CB-CD1 4.43Å; L567-F570 HydrophobicContact CB-CE1 3.65Å; L567-F570 HydrophobicContact CB-CZ 4.36Å
568	A	72.9	Confident	77.2	Confident	17 Å²	17	43.7 Å²	43.7	14%	0.14	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-55.1	139.7	176.4	0	0	0	0	0	112	A564 F570 Y602	A564-A568 PolarHBondContact O-N 3.07Å; A568-F570 HydrophobicContact CB-CE2 4.44Å; A568-Y602 HydrophobicContact CB-CD2 4.24Å; A568-Y602 HydrophobicContact CB-CE2 4.23Å
569	P	74.4	Confident	76.6	Confident	16 Å²	16	38.4 Å²	38.4	10%	0.104	18%	0.183	C	C	.	.	S	Bend	cis	-79.2	145.1	2.6	32.3	-38.9	0	0	0	113.4	K535 Y602 W605	K535-P569 WeakPolarHBondContact CE-O 3.12Å; K535-P569 VanDerWaalsContact NZ-CD 3.32Å; K535-P569 PolarHBondContact NZ-O 2.9Å; P569-Y602 HydrophobicContact CB-CE1 3.79Å; P569-W605 HydrophobicContact CB-CD2 4.14Å; P569-W605 HydrophobicContact CB-CE3 4.21Å; P569-W605 HydrophobicContact CG-CD2 3.68Å; P569-W605 HydrophobicContact CG-CE3 4Å; P569-W605 HydrophobicContact CG-CG 4.23Å; P569-W605 HydrophobicContact CG-CH2 4.04Å; P569-W605 HydrophobicContact CG-CZ2 3.73Å; P569-W605 HydrophobicContact CG-CZ3 4.17Å
570	F	79.6	Confident	75.9	Confident	6 Å²	6	39 Å²	39	3%	0.026	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-82.3	154.3	-176.2	-71	-55.8	0	0	0	113.1	W542 A564 L567 A568 T574 L575 L578 V598 Y602 H613	W542-F570 HydrophobicContact CE3-CE1 4.27Å; W542-F570 HydrophobicContact CH2-CE1 4.08Å; W542-F570 HydrophobicContact CH2-CZ 4.01Å; W542-F570 HydrophobicContact CZ3-CD1 4.33Å; W542-F570 AromaticContact CZ3-CE1 3.65Å; W542-F570 HydrophobicContact CZ3-CE1 3.65Å; W542-F570 HydrophobicContact CZ3-CZ 4.03Å; A564-F570 HydrophobicContact CB-CZ 4.01Å; L567-F570 HydrophobicContact CB-CD1 4.43Å; L567-F570 HydrophobicContact CB-CE1 3.65Å; L567-F570 HydrophobicContact CB-CZ 4.36Å; A568-F570 HydrophobicContact CB-CE2 4.44Å; F570-T574 VanDerWaalsContact CB-OG1 3.26Å; F570-T574 WeakPolarHBondContact CB-OG1 3.29Å; F570-L575 HydrophobicContact CB-CD2 4.11Å; F570-L575 HydrophobicContact CB-CG 4.07Å; F570-L575 HydrophobicContact CD2-CD2 4.27Å; F570-L578 HydrophobicContact CD2-CD1 4.22Å; F570-L578 HydrophobicContact CE2-CD1 4.3Å; F570-V598 HydrophobicContact CE2-CB 4.41Å; F570-V598 HydrophobicContact CE2-CG1 4Å; F570-V598 HydrophobicContact CE2-CG2 3.87Å; F570-V598 HydrophobicContact CZ-CG2 4.33Å; F570-Y602 AromaticContact CD2-CE2 3.69Å; F570-Y602 HydrophobicContact CD2-CE2 3.69Å; F570-Y602 HydrophobicContact CE2-CE2 4.03Å; F570-Y602 PolarHBondContact N-OH 3.03Å; F570-H613 PolarHBondContact O-CE1 3.23Å
571	S	76.9	Confident	75.3	Confident	31 Å²	31	39.9 Å²	39.9	22%	0.217	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-74	160.4	164.4	65.1	0	0	0	0	112.4	E539 E573 T574 L575	E539-S571 PolarHBondContact OE1-N 2.83Å; E539-S571 WeakPolarHBondContact OE2-CB 3.35Å; E539-S571 PolarHBondContact OE2-N 3.42Å; E539-S571 PolarHBondContact OE2-OG 2.82Å; S571-E573 PolarHBondContact O-N 2.99Å; S571-T574 PolarHBondContact N-OG1 3.01Å; S571-T574 PolarHBondContact O-N 2.84Å; S571-T574 VanDerWaalsContact O-N 3.09Å; S571-T574 PolarHBondContact O-OG1 2.91Å; S571-T574 PolarHBondContact OG-N 3.29Å; S571-T574 PolarHBondContact OG-OG1 3.22Å; S571-L575 PolarHBondContact O-N 3.41Å
572	R	71.7	Confident	74.5	Confident	130 Å²	130	40 Å²	40	49%	0.491	19%	0.192	S	C	.	.	H	α-helix	trans	-53	-40.2	173.4	-70.7	-170.9	170.1	145.6	21.3	113.6	L575 H576 E612 D616	R572-L575 PolarHBondContact O-N 2.83Å; R572-H576 PolarHBondContact O-N 3.17Å; R572-H576 VanDerWaalsContact O-N 3.09Å; R572-E612 IonicContact CZ-OE2 3.14Å; R572-E612 IonicContact NH1-OE2 3.11Å; R572-E612 PolarHBondContact NH1-OE2 3.45Å; R572-E612 IonicContact NH2-OE2 2.69Å; R572-E612 PolarHBondContact NH2-OE2 3.24Å; R572-D616 WeakPolarHBondContact CD-OD2 3.4Å; R572-D616 WeakPolarHBondContact CG-OD2 3.31Å; R572-D616 IonicContact CZ-OD2 3.57Å; R572-D616 IonicContact NE-OD2 3.03Å; R572-D616 PolarHBondContact NE-OD2 3.02Å; R572-D616 IonicContact NH2-OD2 3.54Å
573	E	74.2	Confident	73.6	Confident	118 Å²	118	44 Å²	44	55%	0.551	20%	0.201	S	C	*	.	H	α-helix	trans	-61.7	-45.2	178.2	-66.3	-179	-174.6	0	0	110.9	K540 S571 H576 C577	K540-E573 WeakPolarHBondContact CE-OE2 3.43Å; K540-E573 IonicContact NZ-OE2 2.78Å; K540-E573 PolarHBondContact NZ-OE2 3.38Å; S571-E573 PolarHBondContact O-N 2.99Å; E573-H576 PolarHBondContact O-N 3.28Å; E573-C577 PolarHBondContact O-N 3.11Å
574	T	77.8	Confident	72.8	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-36.9	178.5	52.2	0	0	0	0	113.7	E539 C543 F570 S571 H576 C577 L578	E539-T574 HydrophobicContact CB-CG2 3.46Å; E539-T574 VanDerWaalsContact CB-CG2 3.46Å; E539-T574 HydrophobicContact CG-CG2 3.77Å; E539-T574 VanDerWaalsContact OE2-CG2 3.24Å; E539-T574 WeakPolarHBondContact OE2-CG2 3.5Å; E539-T574 PolarHBondContact OE2-OG1 3.48Å; C543-T574 VanDerWaalsContact SG-CG2 3.59Å; F570-T574 VanDerWaalsContact CB-OG1 3.26Å; F570-T574 WeakPolarHBondContact CB-OG1 3.29Å; S571-T574 PolarHBondContact N-OG1 3.01Å; S571-T574 PolarHBondContact O-N 2.84Å; S571-T574 VanDerWaalsContact O-N 3.09Å; S571-T574 PolarHBondContact O-OG1 2.91Å; S571-T574 PolarHBondContact OG-N 3.29Å; S571-T574 PolarHBondContact OG-OG1 3.22Å; T574-H576 VanDerWaalsContact C-N 3.31Å; T574-H576 PolarHBondContact O-N 3.12Å; T574-C577 PolarHBondContact O-N 2.9Å; T574-L578 WeakPolarHBondContact O-CB 3.27Å; T574-L578 WeakPolarHBondContact O-CG 3.1Å; T574-L578 PolarHBondContact O-N 3.11Å
575	L	75.5	Confident	72	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-42.6	172.3	-71.8	175.4	0	0	0	111.2	F570 S571 R572 L578 V579 D616 F620	F570-L575 HydrophobicContact CB-CD2 4.11Å; F570-L575 HydrophobicContact CB-CG 4.07Å; F570-L575 HydrophobicContact CD2-CD2 4.27Å; S571-L575 PolarHBondContact O-N 3.41Å; R572-L575 PolarHBondContact O-N 2.83Å; L575-L578 WeakPolarHBondContact O-CB 3.47Å; L575-L578 PolarHBondContact O-N 2.88Å; L575-V579 WeakPolarHBondContact O-CG2 3.38Å; L575-V579 PolarHBondContact O-N 3.08Å; L575-D616 HydrophobicContact CD1-CB 3.77Å; L575-F620 HydrophobicContact CD2-CB 4.39Å; L575-F620 HydrophobicContact CD2-CG 4.26Å
576	H	72.6	Confident	70.9	Confident	119 Å²	119	49.5 Å²	49.5	55%	0.551	24%	0.242	S	C	*	.	H	α-helix	trans	-65.4	-41	175.5	-173.8	-90.4	0	0	0	112.6	R572 E573 T574 L578 V579 H580	R572-H576 PolarHBondContact O-N 3.17Å; R572-H576 VanDerWaalsContact O-N 3.09Å; E573-H576 PolarHBondContact O-N 3.28Å; T574-H576 VanDerWaalsContact C-N 3.31Å; T574-H576 PolarHBondContact O-N 3.12Å; H576-L578 VanDerWaalsContact C-N 3.33Å; H576-L578 PolarHBondContact O-N 3.43Å; H576-V579 PolarHBondContact O-N 2.88Å; H576-H580 PolarHBondContact O-N 3.07Å
577	C	74.1	Confident	70.5	Confident	39 Å²	39	49 Å²	49	26%	0.264	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-39	173.6	-75.6	0	0	0	0	112.5	C543 E573 T574 H580 F581	C543-C577 HydrophobicContact CB-CB 4.15Å; C543-C577 VanDerWaalsContact SG-CB 3.56Å; E573-C577 PolarHBondContact O-N 3.11Å; T574-C577 PolarHBondContact O-N 2.9Å; C577-H580 PolarHBondContact O-N 2.94Å; C577-F581 WeakPolarHBondContact O-CB 3.21Å; C577-F581 PolarHBondContact O-N 2.73Å
578	L	73.5	Confident	69.8	Low	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-49.8	174.5	-77.5	168	0	0	0	110.9	W542 L546 F570 T574 L575 H576 H580 F581 M582 L594 F620	W542-L578 HydrophobicContact CH2-CD1 4.19Å; W542-L578 HydrophobicContact CH2-CD2 3.61Å; W542-L578 HydrophobicContact CH2-CG 4.29Å; W542-L578 HydrophobicContact CZ3-CD1 4.04Å; W542-L578 HydrophobicContact CZ3-CD2 3.87Å; W542-L578 HydrophobicContact CZ3-CG 4.11Å; L546-L578 HydrophobicContact CD1-CD2 3.65Å; F570-L578 HydrophobicContact CD2-CD1 4.22Å; F570-L578 HydrophobicContact CE2-CD1 4.3Å; T574-L578 WeakPolarHBondContact O-CB 3.27Å; T574-L578 WeakPolarHBondContact O-CG 3.1Å; T574-L578 PolarHBondContact O-N 3.11Å; L575-L578 WeakPolarHBondContact O-CB 3.47Å; L575-L578 PolarHBondContact O-N 2.88Å; H576-L578 VanDerWaalsContact C-N 3.33Å; H576-L578 PolarHBondContact O-N 3.43Å; L578-H580 PolarHBondContact O-N 2.86Å; L578-F581 PolarHBondContact O-N 3.36Å; L578-F581 VanDerWaalsContact O-N 3.08Å; L578-M582 WeakPolarHBondContact O-CG 3.37Å; L578-M582 PolarHBondContact O-N 3.47Å; L578-L594 HydrophobicContact CD2-CD2 3.9Å; L578-F620 HydrophobicContact CB-CD2 4.43Å; L578-F620 HydrophobicContact CB-CE2 3.74Å; L578-F620 HydrophobicContact CB-CZ 4.38Å
579	V	68.3	Low	69.5	Low	15 Å²	15	59 Å²	59	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-51.2	-46.2	174.1	166.4	0	0	0	0	111.4	L575 H576 R583 F620 I623	L575-V579 WeakPolarHBondContact O-CG2 3.38Å; L575-V579 PolarHBondContact O-N 3.08Å; H576-V579 PolarHBondContact O-N 2.88Å; V579-R583 WeakPolarHBondContact O-CG 3.33Å; V579-R583 PolarHBondContact O-N 3.01Å; V579-R583 VanDerWaalsContact O-N 3.13Å; V579-F620 HydrophobicContact CG2-CD2 3.8Å; V579-I623 HydrophobicContact CB-CD1 4.38Å; V579-I623 HydrophobicContact CG1-CD1 3.8Å; V579-I623 HydrophobicContact CG1-CG2 4.21Å; V579-I623 HydrophobicContact CG2-CD1 3.59Å
580	H	68.6	Low	69.2	Low	63 Å²	63	59 Å²	59	29%	0.292	29%	0.289	S	S	.	.	H	α-helix	trans	-67.9	-38.7	179.2	173.4	-95.2	0	0	0	113.2	H547 H576 C577 L578 R583 K584	H547-H580 AromaticContact NE2-CE1 3.77Å; H547-H580 AromaticContact NE2-ND1 3.44Å; H547-H580 PolarHBondContact NE2-ND1 3.05Å; H576-H580 PolarHBondContact O-N 3.07Å; C577-H580 PolarHBondContact O-N 2.94Å; L578-H580 PolarHBondContact O-N 2.86Å; H580-R583 PolarHBondContact O-N 3.35Å; H580-K584 PolarHBondContact CE1-NZ 2.86Å; H580-K584 VanDerWaalsContact NE2-CE 3.26Å; H580-K584 WeakPolarHBondContact NE2-CE 2.95Å; H580-K584 PolarHBondContact NE2-NZ 3.34Å; H580-K584 PolarHBondContact O-N 3.35Å
581	F	69.4	Low	68.6	Low	19 Å²	19	59.4 Å²	59.4	8%	0.083	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-48.6	174.1	173.5	-100.9	0	0	0	111.1	L546 A549 F561 C577 L578 R583 K584 S585 L594	L546-F581 HydrophobicContact CB-CD2 4.13Å; L546-F581 HydrophobicContact CB-CE2 4.43Å; L546-F581 HydrophobicContact CB-CG 4.38Å; L546-F581 HydrophobicContact CD2-CE1 4.48Å; L546-F581 WeakPolarHBondContact O-CD2 3.39Å; L546-F581 WeakPolarHBondContact O-CE2 3.44Å; A549-F581 HydrophobicContact CB-CE2 4.38Å; A549-F581 HydrophobicContact CB-CZ 4.48Å; F561-F581 HydrophobicContact CE1-CE1 4.18Å; F561-F581 HydrophobicContact CE1-CZ 4.01Å; F561-F581 HydrophobicContact CZ-CE1 4.26Å; F561-F581 HydrophobicContact CZ-CZ 4Å; C577-F581 WeakPolarHBondContact O-CB 3.21Å; C577-F581 PolarHBondContact O-N 2.73Å; L578-F581 PolarHBondContact O-N 3.36Å; L578-F581 VanDerWaalsContact O-N 3.08Å; F581-R583 VanDerWaalsContact C-N 3.26Å; F581-R583 PolarHBondContact O-N 3.38Å; F581-K584 PolarHBondContact O-N 3.13Å; F581-S585 PolarHBondContact O-N 3.07Å; F581-S585 PolarHBondContact O-OG 2.73Å; F581-L594 HydrophobicContact CD1-CD2 4.34Å; F581-L594 HydrophobicContact CE1-CD2 4.32Å
582	M	65.7	Low	68	Low	3 Å²	3	58.4 Å²	58.4	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-31.6	-179.2	-60.1	-64.1	-84.7	0	0	112.7	L578 K584 I591 L594 L624	L578-M582 WeakPolarHBondContact O-CG 3.37Å; L578-M582 PolarHBondContact O-N 3.47Å; M582-K584 VanDerWaalsContact C-N 3.3Å; M582-I591 HydrophobicContact CE-CB 3.67Å; M582-I591 HydrophobicContact CE-CG1 3.65Å; M582-I591 HydrophobicContact CE-CG2 3.3Å; M582-I591 HydrophobicContact SD-CB 4.37Å; M582-I591 HydrophobicContact SD-CG1 3.81Å; M582-L594 HydrophobicContact CE-CD2 4.49Å; M582-L594 HydrophobicContact SD-CD2 3.62Å; M582-L624 HydrophobicContact CE-CD1 4.07Å; M582-L624 HydrophobicContact CE-CD2 3.3Å; M582-L624 HydrophobicContact CE-CG 3.74Å
583	R	63.4	Low	67.9	Low	125 Å²	125	54.5 Å²	54.5	47%	0.472	27%	0.271	S	S	.	.	H	α-helix	trans	-70	-23.6	172.5	-75	175.4	177.2	177.6	-1.5	113.5	V579 H580 F581 N698	V579-R583 WeakPolarHBondContact O-CG 3.33Å; V579-R583 PolarHBondContact O-N 3.01Å; V579-R583 VanDerWaalsContact O-N 3.13Å; H580-R583 PolarHBondContact O-N 3.35Å; F581-R583 VanDerWaalsContact C-N 3.26Å; F581-R583 PolarHBondContact O-N 3.38Å; R583-N698 PolarHBondContact NH2-OD1 3.31Å
584	K	63.9	Low	67.8	Low	148 Å²	148	49 Å²	49	64%	0.643	25%	0.245	S	C	*	.	H	α-helix	trans	-102	-31.5	-175.8	-80.5	-175.5	169	172	0	113.8	H580 F581 M582	H580-K584 PolarHBondContact CE1-NZ 2.86Å; H580-K584 VanDerWaalsContact NE2-CE 3.26Å; H580-K584 WeakPolarHBondContact NE2-CE 2.95Å; H580-K584 PolarHBondContact NE2-NZ 3.34Å; H580-K584 PolarHBondContact O-N 3.35Å; F581-K584 PolarHBondContact O-N 3.13Å; M582-K584 VanDerWaalsContact C-N 3.3Å
585	S	61	Low	67.4	Low	19 Å²	19	49.7 Å²	49.7	13%	0.133	25%	0.248	C	C	.	.			trans	-77.4	130.7	-177.6	57.4	0	0	0	0	111.7	F581 Y631	F581-S585 PolarHBondContact O-N 3.07Å; F581-S585 PolarHBondContact O-OG 2.73Å; S585-Y631 PolarHBondContact O-OH 3.07Å
586	G	54.5	Low	67.1	Low	51 Å²	51	51.5 Å²	51.5	53%	0.526	26%	0.256	S	S	.	.			trans	-92.3	-5.9	-173.2	0	0	0	0	0	118.1	Y631	G586-Y631 VanDerWaalsContact CA-OH 3.24Å; G586-Y631 WeakPolarHBondContact CA-OH 3.46Å
587	E	66	Low	67.2	Low	98 Å²	98	47.2 Å²	47.2	46%	0.458	24%	0.237	S	C	.	.			trans	-100.8	112	-174.7	-67.7	179.6	-143.7	0	0	111	R557 E589 D590 I591	R557-E587 IonicContact CZ-OE1 3.7Å; R557-E587 IonicContact NH1-OE1 3.99Å; R557-E587 PolarHBondContact NH1-OE1 3.47Å; R557-E587 VanDerWaalsContact NH1-OE1 3.11Å; R557-E587 IonicContact NH1-OE2 2.57Å; R557-E587 PolarHBondContact NH1-OE2 2.86Å; R557-E587 IonicContact NH2-OE1 3.8Å; E587-E589 VanDerWaalsContact C-N 3.27Å; E587-E589 PolarHBondContact O-N 2.8Å; E587-D590 HydrophobicContact CB-CB 4.23Å; E587-D590 PolarHBondContact O-N 2.85Å; E587-I591 PolarHBondContact O-N 3.39Å
588	L	60.9	Low	67.2	Low	81 Å²	81	45.4 Å²	45.4	42%	0.424	23%	0.225	S	C	.	.	H	α-helix	trans	-58.1	-37.5	178.7	-176.3	69.4	0	0	0	112.3	D590 I591 C592	L588-D590 PolarHBondContact O-N 2.8Å; L588-I591 WeakPolarHBondContact O-CB 3.24Å; L588-I591 PolarHBondContact O-N 3.33Å; L588-C592 WeakPolarHBondContact O-CB 3.36Å; L588-C592 PolarHBondContact O-N 2.88Å; L588-C592 PolarHBondContact O-SG 2.87Å
589	E	66.9	Low	67	Low	149 Å²	149	45.8 Å²	45.8	70%	0.696	23%	0.226	S	C	*	.	H	α-helix	trans	-61.7	-41.1	179.2	-65.9	-172	-178.8	0	0	112.8	E587 C592 F593	E587-E589 VanDerWaalsContact C-N 3.27Å; E587-E589 PolarHBondContact O-N 2.8Å; E589-C592 PolarHBondContact O-N 2.9Å; E589-F593 PolarHBondContact O-N 2.95Å
590	D	68.9	Low	67	Low	15 Å²	15	47.9 Å²	47.9	8%	0.08	24%	0.235	C	C	.	.	H	α-helix	trans	-68.4	-44	178.9	-79.6	-22.1	0	0	0	111.9	R557 F561 E587 L588 C592 F593 L594	R557-D590 VanDerWaalsContact CD-CG 3.43Å; R557-D590 WeakPolarHBondContact CD-OD1 3.32Å; R557-D590 WeakPolarHBondContact CD-OD2 3.09Å; R557-D590 IonicContact CZ-OD2 3.53Å; R557-D590 IonicContact NE-OD2 3.05Å; R557-D590 IonicContact NH1-OD1 3.83Å; R557-D590 IonicContact NH1-OD2 3.34Å; R557-D590 PolarHBondContact NH1-OD2 2.8Å; F561-D590 HydrophobicContact CE2-CB 3.63Å; F561-D590 HydrophobicContact CZ-CB 4.18Å; E587-D590 HydrophobicContact CB-CB 4.23Å; E587-D590 PolarHBondContact O-N 2.85Å; L588-D590 PolarHBondContact O-N 2.8Å; D590-C592 PolarHBondContact O-N 2.7Å; D590-F593 PolarHBondContact O-N 2.84Å; D590-L594 WeakPolarHBondContact O-CB 3.49Å; D590-L594 PolarHBondContact O-N 3.41Å
591	I	67.2	Low	67.1	Low	15 Å²	15	45.5 Å²	45.5	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-54.6	-46.5	172.9	-77.8	169.6	0	0	0	109.8	M582 E587 L588 F595 L624	M582-I591 HydrophobicContact CE-CB 3.67Å; M582-I591 HydrophobicContact CE-CG1 3.65Å; M582-I591 HydrophobicContact CE-CG2 3.3Å; M582-I591 HydrophobicContact SD-CB 4.37Å; M582-I591 HydrophobicContact SD-CG1 3.81Å; E587-I591 PolarHBondContact O-N 3.39Å; L588-I591 WeakPolarHBondContact O-CB 3.24Å; L588-I591 PolarHBondContact O-N 3.33Å; I591-F595 VanDerWaalsContact O-CB 3.28Å; I591-F595 WeakPolarHBondContact O-CB 3.43Å; I591-F595 PolarHBondContact O-N 3.34Å; I591-L624 HydrophobicContact CG2-CD2 3.71Å
592	C	64.5	Low	67.2	Low	10 Å²	10	44.7 Å²	44.7	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-41.4	-179.8	-71.8	0	0	0	0	113	L588 E589 D590 F595 E596 Y660	L588-C592 WeakPolarHBondContact O-CB 3.36Å; L588-C592 PolarHBondContact O-N 2.88Å; L588-C592 PolarHBondContact O-SG 2.87Å; E589-C592 PolarHBondContact O-N 2.9Å; D590-C592 PolarHBondContact O-N 2.7Å; C592-F595 WeakPolarHBondContact O-CB 3.42Å; C592-F595 PolarHBondContact O-N 3.15Å; C592-E596 PolarHBondContact O-N 3Å; C592-Y660 HydrophobicContact CB-CE1 4.15Å; C592-Y660 HydrophobicContact CB-CE2 3.67Å; C592-Y660 VanDerWaalsContact CB-CZ 3.48Å; C592-Y660 WeakPolarHBondContact CB-OH 3.41Å; C592-Y660 WeakPolarHBondContact O-CE1 3.38Å
593	F	69.3	Low	67.2	Low	48 Å²	48	47.4 Å²	47.4	21%	0.211	24%	0.244	C	C	.	.	H	α-helix	trans	-67.3	-44.8	176.9	-179.9	-97.5	0	0	0	112.2	R558 F561 E589 D590 F595 E596 M597	R558-F593 HydrophobicContact CB-CE1 4.15Å; R558-F593 HydrophobicContact CB-CZ 4.44Å; R558-F593 HydrophobicContact CG-CD1 4.45Å; R558-F593 HydrophobicContact CG-CE1 4.35Å; R558-F593 WeakPolarHBondContact O-CE1 3.31Å; F561-F593 HydrophobicContact CB-CD1 3.67Å; F561-F593 HydrophobicContact CB-CE1 3.73Å; F561-F593 AromaticContact CD2-CD1 3.93Å; F561-F593 HydrophobicContact CD2-CD1 3.93Å; F561-F593 HydrophobicContact CG-CD1 4.33Å; E589-F593 PolarHBondContact O-N 2.95Å; D590-F593 PolarHBondContact O-N 2.84Å; F593-F595 PolarHBondContact O-N 3.09Å; F593-E596 WeakPolarHBondContact O-CB 3.47Å; F593-E596 PolarHBondContact O-N 2.91Å; F593-M597 HydrophobicContact CD1-CG 4.31Å; F593-M597 HydrophobicContact CE1-CG 3.87Å; F593-M597 HydrophobicContact CE2-CE 4.23Å; F593-M597 HydrophobicContact CZ-CE 4.38Å; F593-M597 HydrophobicContact CZ-CG 3.99Å; F593-M597 HydrophobicContact CZ-SD 4.07Å; F593-M597 WeakPolarHBondContact O-CG 3.49Å; F593-M597 PolarHBondContact O-N 3.33Å; F593-M597 VanDerWaalsContact O-N 3.1Å
594	L	72.5	Confident	67.2	Low	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-56.2	-43.9	174.3	-177.5	77.4	0	0	0	110.3	W542 L546 F561 A564 L578 F581 M582 D590 M597 V598	W542-L594 HydrophobicContact CH2-CD1 4.22Å; W542-L594 HydrophobicContact CZ2-CD1 3.85Å; L546-L594 HydrophobicContact CD2-CD1 4.39Å; F561-L594 HydrophobicContact CB-CD1 3.94Å; F561-L594 HydrophobicContact CD1-CD1 3.67Å; F561-L594 HydrophobicContact CE1-CD1 4.39Å; F561-L594 HydrophobicContact CG-CB 4.36Å; F561-L594 HydrophobicContact CG-CD1 3.92Å; A564-L594 HydrophobicContact CB-CD1 4.39Å; L578-L594 HydrophobicContact CD2-CD2 3.9Å; F581-L594 HydrophobicContact CD1-CD2 4.34Å; F581-L594 HydrophobicContact CE1-CD2 4.32Å; M582-L594 HydrophobicContact CE-CD2 4.49Å; M582-L594 HydrophobicContact SD-CD2 3.62Å; D590-L594 WeakPolarHBondContact O-CB 3.49Å; D590-L594 PolarHBondContact O-N 3.41Å; L594-M597 PolarHBondContact O-N 3.05Å; L594-V598 VanDerWaalsContact O-CG2 3.31Å; L594-V598 WeakPolarHBondContact O-CG2 3.42Å; L594-V598 PolarHBondContact O-N 3.13Å
595	F	69.6	Low	67.2	Low	17 Å²	17	42.3 Å²	42.3	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-46.4	177.3	179	-107.3	0	0	0	113	I591 C592 F593 M597 V598 L599 L621 L624 Y660 L664	I591-F595 VanDerWaalsContact O-CB 3.28Å; I591-F595 WeakPolarHBondContact O-CB 3.43Å; I591-F595 PolarHBondContact O-N 3.34Å; C592-F595 WeakPolarHBondContact O-CB 3.42Å; C592-F595 PolarHBondContact O-N 3.15Å; F593-F595 PolarHBondContact O-N 3.09Å; F595-M597 VanDerWaalsContact C-N 3.26Å; F595-M597 PolarHBondContact O-N 2.7Å; F595-V598 PolarHBondContact O-N 3.23Å; F595-L599 HydrophobicContact CD1-CD1 3.77Å; F595-L599 HydrophobicContact CD1-CG 4.26Å; F595-L599 HydrophobicContact CD2-CG 4.34Å; F595-L599 HydrophobicContact CE1-CD1 3.15Å; F595-L599 HydrophobicContact CE1-CG 3.92Å; F595-L599 HydrophobicContact CE2-CD1 4.11Å; F595-L599 HydrophobicContact CE2-CD2 4.34Å; F595-L599 HydrophobicContact CE2-CG 4.05Å; F595-L599 HydrophobicContact CG-CD1 4.45Å; F595-L599 HydrophobicContact CG-CG 4.48Å; F595-L599 HydrophobicContact CZ-CD1 3.38Å; F595-L599 HydrophobicContact CZ-CD2 4.21Å; F595-L599 HydrophobicContact CZ-CG 3.82Å; F595-L599 WeakPolarHBondContact O-CB 3.25Å; F595-L599 WeakPolarHBondContact O-CG 3.47Å; F595-L599 PolarHBondContact O-N 3.06Å; F595-L621 HydrophobicContact CD2-CD2 4.36Å; F595-L621 HydrophobicContact CE2-CD2 3.4Å; F595-L621 HydrophobicContact CZ-CD2 4.06Å; F595-L624 HydrophobicContact CD2-CD1 3.56Å; F595-L624 HydrophobicContact CD2-CD2 4.44Å; F595-L624 HydrophobicContact CE2-CD1 3.98Å; F595-Y660 HydrophobicContact CD1-CD1 4.1Å; F595-L664 HydrophobicContact CE1-CD1 4.19Å; F595-L664 HydrophobicContact CE1-CG 4.07Å; F595-L664 HydrophobicContact CZ-CD1 3.81Å; F595-L664 HydrophobicContact CZ-CD2 3.81Å; F595-L664 HydrophobicContact CZ-CG 3.74Å
596	E	67.7	Low	67.3	Low	46 Å²	46	41.9 Å²	41.9	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-55.8	-44.1	175.4	-170	179.6	172.2	0	0	111.2	C592 F593 H600 Y660	C592-E596 PolarHBondContact O-N 3Å; F593-E596 WeakPolarHBondContact O-CB 3.47Å; F593-E596 PolarHBondContact O-N 2.91Å; E596-H600 WeakPolarHBondContact CG-ND1 2.95Å; E596-H600 WeakPolarHBondContact O-CB 3.21Å; E596-H600 PolarHBondContact O-N 3.07Å; E596-H600 PolarHBondContact O-ND1 3.45Å; E596-H600 IonicContact OE1-CE1 3.63Å; E596-Y660 HydrophobicContact CB-CE1 4.17Å
597	M	75.4	Confident	67.5	Low	30 Å²	30	43.7 Å²	43.7	15%	0.148	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-41.9	179.2	-63.4	-62.6	98.6	0	0	112.6	A564 F565 F593 L594 F595 G601	A564-M597 HydrophobicContact CB-CB 4.08Å; F565-M597 WeakPolarHBondContact CA-O 3.47Å; F565-M597 HydrophobicContact CB-CB 4.4Å; F565-M597 HydrophobicContact CB-SD 4.38Å; F593-M597 HydrophobicContact CD1-CG 4.31Å; F593-M597 HydrophobicContact CE1-CG 3.87Å; F593-M597 HydrophobicContact CE2-CE 4.23Å; F593-M597 HydrophobicContact CZ-CE 4.38Å; F593-M597 HydrophobicContact CZ-CG 3.99Å; F593-M597 HydrophobicContact CZ-SD 4.07Å; F593-M597 WeakPolarHBondContact O-CG 3.49Å; F593-M597 PolarHBondContact O-N 3.33Å; F593-M597 VanDerWaalsContact O-N 3.1Å; L594-M597 PolarHBondContact O-N 3.05Å; F595-M597 VanDerWaalsContact C-N 3.26Å; F595-M597 PolarHBondContact O-N 2.7Å; M597-G601 PolarHBondContact O-N 3.32Å
598	V	73.4	Confident	67.4	Low	1 Å²	1	45 Å²	45	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-50.4	175.7	170.3	0	0	0	0	110.4	A564 F570 L594 F595 H600 G601 Y602 F620	A564-V598 HydrophobicContact CB-CG2 4.04Å; F570-V598 HydrophobicContact CE2-CB 4.41Å; F570-V598 HydrophobicContact CE2-CG1 4Å; F570-V598 HydrophobicContact CE2-CG2 3.87Å; F570-V598 HydrophobicContact CZ-CG2 4.33Å; L594-V598 VanDerWaalsContact O-CG2 3.31Å; L594-V598 WeakPolarHBondContact O-CG2 3.42Å; L594-V598 PolarHBondContact O-N 3.13Å; F595-V598 PolarHBondContact O-N 3.23Å; V598-H600 PolarHBondContact O-N 3.13Å; V598-G601 PolarHBondContact O-N 3.33Å; V598-G601 VanDerWaalsContact O-N 3.09Å; V598-Y602 HydrophobicContact CG1-CD2 3.84Å; V598-Y602 HydrophobicContact CG1-CE2 3.9Å; V598-Y602 WeakPolarHBondContact O-CD2 3.43Å; V598-Y602 PolarHBondContact O-N 2.8Å; V598-F620 HydrophobicContact CG1-CE1 4.21Å
599	L	69.4	Low	67.5	Low	7 Å²	7	42.1 Å²	42.1	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-45.8	179.5	-81.9	-169.9	0	0	0	112.5	F595 G601 Y602 S603 L621 L664 I667	F595-L599 HydrophobicContact CD1-CD1 3.77Å; F595-L599 HydrophobicContact CD1-CG 4.26Å; F595-L599 HydrophobicContact CD2-CG 4.34Å; F595-L599 HydrophobicContact CE1-CD1 3.15Å; F595-L599 HydrophobicContact CE1-CG 3.92Å; F595-L599 HydrophobicContact CE2-CD1 4.11Å; F595-L599 HydrophobicContact CE2-CD2 4.34Å; F595-L599 HydrophobicContact CE2-CG 4.05Å; F595-L599 HydrophobicContact CG-CD1 4.45Å; F595-L599 HydrophobicContact CG-CG 4.48Å; F595-L599 HydrophobicContact CZ-CD1 3.38Å; F595-L599 HydrophobicContact CZ-CD2 4.21Å; F595-L599 HydrophobicContact CZ-CG 3.82Å; F595-L599 WeakPolarHBondContact O-CB 3.25Å; F595-L599 WeakPolarHBondContact O-CG 3.47Å; F595-L599 PolarHBondContact O-N 3.06Å; L599-G601 VanDerWaalsContact C-N 3.25Å; L599-G601 PolarHBondContact O-N 2.95Å; L599-Y602 PolarHBondContact O-N 2.78Å; L599-S603 PolarHBondContact O-N 3.37Å; L599-L621 HydrophobicContact CD2-CD2 3.99Å; L599-L664 HydrophobicContact CD1-CD2 4.05Å; L599-L664 HydrophobicContact CD1-CG 3.98Å; L599-L664 HydrophobicContact CD2-CD2 4.05Å; L599-I667 HydrophobicContact CB-CD1 3.6Å; L599-I667 HydrophobicContact CD1-CD1 4.16Å; L599-I667 HydrophobicContact CD2-CD1 4.17Å; L599-I667 HydrophobicContact CG-CD1 4.21Å
600	H	69.4	Low	67.5	Low	59 Å²	59	40.9 Å²	40.9	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-60.1	-38.5	175.1	-80.8	86.8	0	0	0	111.4	F565 E596 V598 Y602 S603	F565-H600 HydrophobicContact CD2-CB 3.51Å; F565-H600 HydrophobicContact CE2-CB 3.66Å; E596-H600 WeakPolarHBondContact CG-ND1 2.95Å; E596-H600 WeakPolarHBondContact O-CB 3.21Å; E596-H600 PolarHBondContact O-N 3.07Å; E596-H600 PolarHBondContact O-ND1 3.45Å; E596-H600 IonicContact OE1-CE1 3.63Å; V598-H600 PolarHBondContact O-N 3.13Å; H600-Y602 PolarHBondContact O-N 3.11Å; H600-S603 WeakPolarHBondContact O-CB 3.22Å; H600-S603 PolarHBondContact O-N 2.83Å; H600-S603 PolarHBondContact O-OG 3.45Å
601	G	70.5	Confident	67.2	Low	14 Å²	14	45 Å²	45	14%	0.144	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-36.7	177.5	0	0	0	0	0	113.4	F565 M597 V598 L599	F565-G601 WeakPolarHBondContact O-CA 3.36Å; M597-G601 PolarHBondContact O-N 3.32Å; V598-G601 PolarHBondContact O-N 3.33Å; V598-G601 VanDerWaalsContact O-N 3.09Å; L599-G601 VanDerWaalsContact C-N 3.25Å; L599-G601 PolarHBondContact O-N 2.95Å
602	Y	70.7	Confident	67.2	Low	2 Å²	2	50.1 Å²	50.1	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-81.6	-17.5	177.7	-83	-78.4	0	0	0	114.7	A568 P569 F570 V598 L599 H600 G604 W605 L606 H613 L617	A568-Y602 HydrophobicContact CB-CD2 4.24Å; A568-Y602 HydrophobicContact CB-CE2 4.23Å; P569-Y602 HydrophobicContact CB-CE1 3.79Å; F570-Y602 AromaticContact CD2-CE2 3.69Å; F570-Y602 HydrophobicContact CD2-CE2 3.69Å; F570-Y602 HydrophobicContact CE2-CE2 4.03Å; F570-Y602 PolarHBondContact N-OH 3.03Å; V598-Y602 HydrophobicContact CG1-CD2 3.84Å; V598-Y602 HydrophobicContact CG1-CE2 3.9Å; V598-Y602 WeakPolarHBondContact O-CD2 3.43Å; V598-Y602 PolarHBondContact O-N 2.8Å; L599-Y602 PolarHBondContact O-N 2.78Å; H600-Y602 PolarHBondContact O-N 3.11Å; Y602-G604 PolarHBondContact O-N 2.94Å; Y602-W605 PolarHBondContact O-N 2.79Å; Y602-L606 WeakPolarHBondContact O-CG 3.47Å; Y602-L606 PolarHBondContact O-N 3.49Å; Y602-H613 AromaticContact CE1-NE2 3.56Å; Y602-H613 AromaticContact CZ-NE2 3.8Å; Y602-H613 PolarHBondContact OH-NE2 3.38Å; Y602-H613 VanDerWaalsContact OH-NE2 3.14Å; Y602-L617 HydrophobicContact CD1-CD2 3.88Å; Y602-L617 HydrophobicContact CD2-CD1 3.94Å; Y602-L617 HydrophobicContact CE1-CD1 4.33Å; Y602-L617 HydrophobicContact CE1-CD2 4.14Å; Y602-L617 HydrophobicContact CE2-CD1 3.71Å; Y602-L617 HydrophobicContact CG-CD1 4.34Å; Y602-L617 HydrophobicContact CG-CD2 4.08Å
603	S	65.3	Low	67.3	Low	60 Å²	60	50.9 Å²	50.9	42%	0.42	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.4	-173.9	66	0	0	0	0	114.7	L599 H600	L599-S603 PolarHBondContact O-N 3.37Å; H600-S603 WeakPolarHBondContact O-CB 3.22Å; H600-S603 PolarHBondContact O-N 2.83Å; H600-S603 PolarHBondContact O-OG 3.45Å
604	G	65	Low	67.1	Low	59 Å²	59	48.8 Å²	48.8	61%	0.608	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-14.5	176.3	0	0	0	0	0	115.5	Y602	Y602-G604 PolarHBondContact O-N 2.94Å
605	W	64.2	Low	66.7	Low	107 Å²	107	49.4 Å²	49.4	41%	0.405	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-19.8	-172.8	-123.6	85	0	0	0	113.7	P569 Y602 N607 D608 C609	P569-W605 HydrophobicContact CB-CD2 4.14Å; P569-W605 HydrophobicContact CB-CE3 4.21Å; P569-W605 HydrophobicContact CG-CD2 3.68Å; P569-W605 HydrophobicContact CG-CE3 4Å; P569-W605 HydrophobicContact CG-CG 4.23Å; P569-W605 HydrophobicContact CG-CH2 4.04Å; P569-W605 HydrophobicContact CG-CZ2 3.73Å; P569-W605 HydrophobicContact CG-CZ3 4.17Å; Y602-W605 PolarHBondContact O-N 2.79Å; W605-N607 PolarHBondContact O-N 2.99Å; W605-D608 PolarHBondContact O-N 2.85Å; W605-C609 PolarHBondContact O-N 3.47Å; W605-C609 PolarHBondContact O-SG 2.88Å
606	L	61.6	Low	66.5	Low	9 Å²	9	49.2 Å²	49.2	5%	0.047	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.7	-175	-80.1	161.7	0	0	0	114.2	Y602 L614 L617 I667 W671	Y602-L606 WeakPolarHBondContact O-CG 3.47Å; Y602-L606 PolarHBondContact O-N 3.49Å; L606-L614 HydrophobicContact CD2-CD1 4.46Å; L606-L617 HydrophobicContact CD2-CD2 3.95Å; L606-I667 HydrophobicContact CD1-CG2 3.14Å; L606-W671 HydrophobicContact CB-CB 4.19Å; L606-W671 HydrophobicContact CB-CG 4Å; L606-W671 HydrophobicContact CD1-CB 4.36Å; L606-W671 HydrophobicContact CD2-CG 4.48Å; L606-W671 PolarHBondContact O-NE1 3.28Å
607	N	60.3	Low	66.4	Low	90 Å²	90	47.4 Å²	47.4	48%	0.481	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-24.8	180	-60.8	-2.1	0	0	0	113.2	W605 S674	W605-N607 PolarHBondContact O-N 2.99Å; N607-S674 PolarHBondContact OD1-OG 2.7Å
608	D	63.2	Low	65.8	Low	126 Å²	126	46.8 Å²	46.8	67%	0.674	26%	0.255	S	S	*	.	S	Bend	trans	-110.3	7.7	-175.1	-64.2	-28.1	0	0	0	112.6	W605	W605-D608 PolarHBondContact O-N 2.85Å
609	C	63	Low	65.2	Low	19 Å²	19	47.5 Å²	47.5	13%	0.128	26%	0.261	C	S	.	.			trans	-72.4	137.3	-176.6	-79.2	0	0	0	0	113.2	W605 L614	W605-C609 PolarHBondContact O-N 3.47Å; W605-C609 PolarHBondContact O-SG 2.88Å; C609-L614 HydrophobicContact CB-CD1 4.09Å
610	D	66.9	Low	64.9	Low	123 Å²	123	47.4 Å²	47.4	66%	0.658	26%	0.26	S	S	*	.			trans	-64.4	150.3	166.7	-64.6	-39.4	0	0	0	112	E612 H613 L614	D610-E612 PolarHBondContact O-N 3.34Å; D610-H613 HydrophobicContact CB-CB 4.41Å; D610-H613 PolarHBondContact O-N 2.61Å; D610-H613 VanDerWaalsContact O-N 3.14Å; D610-L614 PolarHBondContact O-N 2.96Å
611	E	62.5	Low	64.6	Low	101 Å²	101	45.1 Å²	45.1	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-54.6	-48.5	-177.7	-38.7	-159.5	144.8	0	0	112.2	H613 L614 V615 F682 V686	E611-H613 VanDerWaalsContact C-N 3.31Å; E611-H613 PolarHBondContact O-N 3.32Å; E611-L614 PolarHBondContact O-N 3.45Å; E611-V615 WeakPolarHBondContact O-CG2 3.35Å; E611-V615 PolarHBondContact O-N 3.25Å; E611-F682 HydrophobicContact CB-CE2 3.81Å; E611-F682 HydrophobicContact CB-CZ 4.43Å; E611-F682 HydrophobicContact CG-CD2 4.28Å; E611-F682 HydrophobicContact CG-CE2 3.4Å; E611-F682 HydrophobicContact CG-CZ 4.17Å; E611-F682 WeakPolarHBondContact OE1-CD2 3.37Å; E611-F682 WeakPolarHBondContact OE1-CE2 3.37Å; E611-V686 HydrophobicContact CB-CG2 4.45Å
612	E	66.8	Low	63.9	Low	124 Å²	124	44.4 Å²	44.4	58%	0.579	24%	0.243	S	C	*	.	H	α-helix	trans	-67.1	-32.8	-177.2	-55.5	-173	153.3	0	0	112.4	R572 D610 L614 V615 D616	R572-E612 IonicContact CZ-OE2 3.14Å; R572-E612 IonicContact NH1-OE2 3.11Å; R572-E612 PolarHBondContact NH1-OE2 3.45Å; R572-E612 IonicContact NH2-OE2 2.69Å; R572-E612 PolarHBondContact NH2-OE2 3.24Å; D610-E612 PolarHBondContact O-N 3.34Å; E612-L614 VanDerWaalsContact C-N 3.34Å; E612-V615 WeakPolarHBondContact O-CB 3.38Å; E612-V615 PolarHBondContact O-N 2.95Å; E612-D616 PolarHBondContact O-N 3.26Å
613	H	66.2	Low	63.2	Low	26 Å²	26	45 Å²	45	12%	0.12	25%	0.246	C	C	.	.	H	α-helix	trans	-70.8	-35	177.4	-166.1	65.5	0	0	0	111.2	F570 Y602 D610 E611 D616 L617	F570-H613 PolarHBondContact O-CE1 3.23Å; Y602-H613 AromaticContact CE1-NE2 3.56Å; Y602-H613 AromaticContact CZ-NE2 3.8Å; Y602-H613 PolarHBondContact OH-NE2 3.38Å; Y602-H613 VanDerWaalsContact OH-NE2 3.14Å; D610-H613 HydrophobicContact CB-CB 4.41Å; D610-H613 PolarHBondContact O-N 2.61Å; D610-H613 VanDerWaalsContact O-N 3.14Å; E611-H613 VanDerWaalsContact C-N 3.31Å; E611-H613 PolarHBondContact O-N 3.32Å; H613-D616 PolarHBondContact O-N 3.12Å; H613-L617 WeakPolarHBondContact O-CB 3.45Å; H613-L617 PolarHBondContact O-N 3.5Å
614	L	65.6	Low	62.6	Low	4 Å²	4	43 Å²	43	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-69.2	-38.4	175.9	-152.7	135.4	0	0	0	111.7	L606 C609 D610 E611 E612 L617 L618 W671 V686	L606-L614 HydrophobicContact CD2-CD1 4.46Å; C609-L614 HydrophobicContact CB-CD1 4.09Å; D610-L614 PolarHBondContact O-N 2.96Å; E611-L614 PolarHBondContact O-N 3.45Å; E612-L614 VanDerWaalsContact C-N 3.34Å; L614-L617 PolarHBondContact O-N 3.32Å; L614-L618 HydrophobicContact CD2-CD1 3.59Å; L614-L618 HydrophobicContact CD2-CG 4.01Å; L614-L618 WeakPolarHBondContact O-CB 2.72Å; L614-L618 WeakPolarHBondContact O-CG 3.46Å; L614-L618 PolarHBondContact O-N 3.45Å; L614-W671 HydrophobicContact CD1-CH2 3.96Å; L614-W671 HydrophobicContact CD1-CZ2 3.2Å; L614-W671 HydrophobicContact CD2-CH2 3.44Å; L614-W671 VanDerWaalsContact CD2-CH2 3.44Å; L614-W671 HydrophobicContact CD2-CZ2 3.61Å; L614-W671 HydrophobicContact CD2-CZ3 4.23Å; L614-W671 HydrophobicContact CG-CH2 4.35Å; L614-W671 HydrophobicContact CG-CZ2 4.05Å; L614-V686 HydrophobicContact CB-CG1 4.21Å; L614-V686 HydrophobicContact CD2-CG1 3.29Å; L614-V686 HydrophobicContact CG-CG1 4.33Å
615	V	64	Low	62	Low	14 Å²	14	41.5 Å²	41.5	9%	0.085	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-46.3	170.2	171.1	0	0	0	0	111.2	E611 E612 L618 S619 V686 T689 A690 K693	E611-V615 WeakPolarHBondContact O-CG2 3.35Å; E611-V615 PolarHBondContact O-N 3.25Å; E612-V615 WeakPolarHBondContact O-CB 3.38Å; E612-V615 PolarHBondContact O-N 2.95Å; V615-L618 PolarHBondContact O-N 2.98Å; V615-S619 WeakPolarHBondContact O-CB 2.94Å; V615-S619 PolarHBondContact O-N 3.01Å; V615-S619 PolarHBondContact O-OG 3.27Å; V615-V686 HydrophobicContact CG2-CB 4.39Å; V615-V686 HydrophobicContact CG2-CG1 3.87Å; V615-T689 WeakPolarHBondContact CG2-OG1 3.5Å; V615-A690 HydrophobicContact CG1-CB 4.26Å; V615-K693 HydrophobicContact CG1-CD 4.03Å
616	D	64.8	Low	61.2	Low	12 Å²	12	36.9 Å²	36.9	6%	0.064	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-45.9	177.4	-75.2	-34.3	0	0	0	112	R572 L575 E612 H613 S619 F620 K693	R572-D616 WeakPolarHBondContact CD-OD2 3.4Å; R572-D616 WeakPolarHBondContact CG-OD2 3.31Å; R572-D616 IonicContact CZ-OD2 3.57Å; R572-D616 IonicContact NE-OD2 3.03Å; R572-D616 PolarHBondContact NE-OD2 3.02Å; R572-D616 IonicContact NH2-OD2 3.54Å; L575-D616 HydrophobicContact CD1-CB 3.77Å; E612-D616 PolarHBondContact O-N 3.26Å; H613-D616 PolarHBondContact O-N 3.12Å; D616-S619 PolarHBondContact O-N 3.28Å; D616-S619 PolarHBondContact O-OG 2.86Å; D616-F620 PolarHBondContact O-N 3.42Å; D616-K693 WeakPolarHBondContact OD1-CE 3.28Å; D616-K693 IonicContact OD1-NZ 2.64Å; D616-K693 PolarHBondContact OD1-NZ 2.95Å
617	L	66.1	Low	60.6	Low	8 Å²	8	37.4 Å²	37.4	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-47.5	176.5	-178.6	65	0	0	0	111.7	Y602 L606 H613 L614 S619 F620 L621	Y602-L617 HydrophobicContact CD1-CD2 3.88Å; Y602-L617 HydrophobicContact CD2-CD1 3.94Å; Y602-L617 HydrophobicContact CE1-CD1 4.33Å; Y602-L617 HydrophobicContact CE1-CD2 4.14Å; Y602-L617 HydrophobicContact CE2-CD1 3.71Å; Y602-L617 HydrophobicContact CG-CD1 4.34Å; Y602-L617 HydrophobicContact CG-CD2 4.08Å; L606-L617 HydrophobicContact CD2-CD2 3.95Å; H613-L617 WeakPolarHBondContact O-CB 3.45Å; H613-L617 PolarHBondContact O-N 3.5Å; L614-L617 PolarHBondContact O-N 3.32Å; L617-S619 VanDerWaalsContact C-N 3.33Å; L617-S619 PolarHBondContact O-N 2.98Å; L617-F620 WeakPolarHBondContact O-CB 3.42Å; L617-F620 PolarHBondContact O-N 3.46Å; L617-L621 HydrophobicContact CG-CD1 4.34Å; L617-L621 VanDerWaalsContact O-CG 3.29Å; L617-L621 WeakPolarHBondContact O-CG 3.3Å; L617-L621 PolarHBondContact O-N 3.15Å
618	L	63.1	Low	59.8	Low	17 Å²	17	33.8 Å²	33.8	9%	0.089	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-41.7	176.8	-77.4	175.7	0	0	0	111.8	L614 V615 F620 L621 G622 F668 V686 A690	L614-L618 HydrophobicContact CD2-CD1 3.59Å; L614-L618 HydrophobicContact CD2-CG 4.01Å; L614-L618 WeakPolarHBondContact O-CB 2.72Å; L614-L618 WeakPolarHBondContact O-CG 3.46Å; L614-L618 PolarHBondContact O-N 3.45Å; V615-L618 PolarHBondContact O-N 2.98Å; L618-F620 VanDerWaalsContact C-N 3.31Å; L618-F620 PolarHBondContact O-N 3.22Å; L618-L621 HydrophobicContact CD2-CD1 4.47Å; L618-L621 PolarHBondContact O-N 3.1Å; L618-G622 PolarHBondContact O-N 3.39Å; L618-F668 HydrophobicContact CD2-CE1 3.71Å; L618-F668 HydrophobicContact CD2-CZ 3.66Å; L618-V686 HydrophobicContact CD1-CG1 3.71Å; L618-A690 HydrophobicContact CB-CB 3.6Å; L618-A690 HydrophobicContact CD1-CB 4.1Å
619	S	60.8	Low	58.7	Low	17 Å²	17	31 Å²	31	12%	0.119	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-39	175.7	78.7	0	0	0	0	111.9	V615 D616 L617 G622 I623	V615-S619 WeakPolarHBondContact O-CB 2.94Å; V615-S619 PolarHBondContact O-N 3.01Å; V615-S619 PolarHBondContact O-OG 3.27Å; D616-S619 PolarHBondContact O-N 3.28Å; D616-S619 PolarHBondContact O-OG 2.86Å; L617-S619 VanDerWaalsContact C-N 3.33Å; L617-S619 PolarHBondContact O-N 2.98Å; S619-G622 PolarHBondContact O-N 3.06Å; S619-I623 WeakPolarHBondContact O-CG1 3.38Å; S619-I623 PolarHBondContact O-N 2.85Å; S619-I623 VanDerWaalsContact O-N 3.1Å
620	F	63.5	Low	57.5	Low	4 Å²	4	35.7 Å²	35.7	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-47	173.9	168.1	-102	0	0	0	112	L575 L578 V579 V598 D616 L617 L618 G622 I623 L624	L575-F620 HydrophobicContact CD2-CB 4.39Å; L575-F620 HydrophobicContact CD2-CG 4.26Å; L578-F620 HydrophobicContact CB-CD2 4.43Å; L578-F620 HydrophobicContact CB-CE2 3.74Å; L578-F620 HydrophobicContact CB-CZ 4.38Å; V579-F620 HydrophobicContact CG2-CD2 3.8Å; V598-F620 HydrophobicContact CG1-CE1 4.21Å; D616-F620 PolarHBondContact O-N 3.42Å; L617-F620 WeakPolarHBondContact O-CB 3.42Å; L617-F620 PolarHBondContact O-N 3.46Å; L618-F620 VanDerWaalsContact C-N 3.31Å; L618-F620 PolarHBondContact O-N 3.22Å; F620-G622 VanDerWaalsContact C-N 3.26Å; F620-G622 PolarHBondContact O-N 3.02Å; F620-I623 PolarHBondContact O-N 3.35Å; F620-L624 HydrophobicContact CD1-CD1 4.32Å; F620-L624 HydrophobicContact CE1-CD1 3.6Å; F620-L624 HydrophobicContact CE2-CD1 4.06Å; F620-L624 HydrophobicContact CZ-CD1 3.46Å; F620-L624 VanDerWaalsContact CZ-CD1 3.46Å; F620-L624 PolarHBondContact O-N 3.19Å
621	L	62.9	Low	56	Low	11 Å²	11	35.2 Å²	35.2	6%	0.058	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-39.2	176.2	-66.2	174.5	0	0	0	111.3	F595 L599 L617 L618 L624 I625 L664 F668	F595-L621 HydrophobicContact CD2-CD2 4.36Å; F595-L621 HydrophobicContact CE2-CD2 3.4Å; F595-L621 HydrophobicContact CZ-CD2 4.06Å; L599-L621 HydrophobicContact CD2-CD2 3.99Å; L617-L621 HydrophobicContact CG-CD1 4.34Å; L617-L621 VanDerWaalsContact O-CG 3.29Å; L617-L621 WeakPolarHBondContact O-CG 3.3Å; L617-L621 PolarHBondContact O-N 3.15Å; L618-L621 HydrophobicContact CD2-CD1 4.47Å; L618-L621 PolarHBondContact O-N 3.1Å; L621-L624 WeakPolarHBondContact O-CB 3.35Å; L621-L624 PolarHBondContact O-N 3.25Å; L621-I625 WeakPolarHBondContact O-CG1 3.43Å; L621-I625 PolarHBondContact O-N 3.37Å; L621-L664 HydrophobicContact CD1-CD2 4.49Å; L621-L664 HydrophobicContact CD2-CD2 4.42Å; L621-F668 HydrophobicContact CD1-CE2 3.71Å; L621-F668 HydrophobicContact CD1-CZ 3.53Å
622	G	55.7	Low	54.4	Low	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-48.2	175.7	0	0	0	0	0	113.3	L618 S619 F620 L624 I625 C626 L708	L618-G622 PolarHBondContact O-N 3.39Å; S619-G622 PolarHBondContact O-N 3.06Å; F620-G622 VanDerWaalsContact C-N 3.26Å; F620-G622 PolarHBondContact O-N 3.02Å; G622-L624 PolarHBondContact O-N 3.45Å; G622-I625 PolarHBondContact O-N 3.21Å; G622-C626 PolarHBondContact O-N 2.85Å; G622-C626 PolarHBondContact O-SG 3.38Å; G622-L708 VanDerWaalsContact CA-CD1 3.41Å
623	I	55.6	Low	52.7	Low	14 Å²	14	35.6 Å²	35.6	7%	0.072	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-37.4	178.1	-66.8	164.7	0	0	0	111.7	V579 S619 F620 C626 C627	V579-I623 HydrophobicContact CB-CD1 4.38Å; V579-I623 HydrophobicContact CG1-CD1 3.8Å; V579-I623 HydrophobicContact CG1-CG2 4.21Å; V579-I623 HydrophobicContact CG2-CD1 3.59Å; S619-I623 WeakPolarHBondContact O-CG1 3.38Å; S619-I623 PolarHBondContact O-N 2.85Å; S619-I623 VanDerWaalsContact O-N 3.1Å; F620-I623 PolarHBondContact O-N 3.35Å; I623-C626 WeakPolarHBondContact O-CB 3.45Å; I623-C626 PolarHBondContact O-N 2.93Å; I623-C627 PolarHBondContact O-N 3.32Å; I623-C627 PolarHBondContact O-SG 2.99Å
624	L	53.1	Low	50.8	Low	18 Å²	18	40.1 Å²	40.1	9%	0.094	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-45.1	-179.1	-115.5	155.7	0	0	0	113.1	M582 I591 F595 F620 L621 G622 C626 C627 S628	M582-L624 HydrophobicContact CE-CD1 4.07Å; M582-L624 HydrophobicContact CE-CD2 3.3Å; M582-L624 HydrophobicContact CE-CG 3.74Å; I591-L624 HydrophobicContact CG2-CD2 3.71Å; F595-L624 HydrophobicContact CD2-CD1 3.56Å; F595-L624 HydrophobicContact CD2-CD2 4.44Å; F595-L624 HydrophobicContact CE2-CD1 3.98Å; F620-L624 HydrophobicContact CD1-CD1 4.32Å; F620-L624 HydrophobicContact CE1-CD1 3.6Å; F620-L624 HydrophobicContact CE2-CD1 4.06Å; F620-L624 HydrophobicContact CZ-CD1 3.46Å; F620-L624 VanDerWaalsContact CZ-CD1 3.46Å; F620-L624 PolarHBondContact O-N 3.19Å; L621-L624 WeakPolarHBondContact O-CB 3.35Å; L621-L624 PolarHBondContact O-N 3.25Å; G622-L624 PolarHBondContact O-N 3.45Å; L624-C626 PolarHBondContact O-N 3.04Å; L624-C627 PolarHBondContact O-N 3.21Å; L624-S628 PolarHBondContact O-N 3.27Å; L624-S628 PolarHBondContact O-OG 3.25Å
625	I	50.9	Low	48.9	Very low	27 Å²	27	45.8 Å²	45.8	14%	0.138	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-30.5	175.1	-63.8	168	0	0	0	110.5	L621 G622 S628 W661 A707 L708	L621-I625 WeakPolarHBondContact O-CG1 3.43Å; L621-I625 PolarHBondContact O-N 3.37Å; G622-I625 PolarHBondContact O-N 3.21Å; I625-S628 PolarHBondContact O-OG 2.99Å; I625-W661 HydrophobicContact CD1-CH2 4.48Å; I625-A707 HydrophobicContact CG2-CB 4.25Å; I625-L708 HydrophobicContact CD1-CG 4.32Å
626	C	48.8	Very low	47.1	Very low	10 Å²	10	49.6 Å²	49.6	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-85	-35.6	179	-47.7	0	0	0	0	113.4	G622 I623 L624 S628 D629 N630 W694 A704	G622-C626 PolarHBondContact O-N 2.85Å; G622-C626 PolarHBondContact O-SG 3.38Å; I623-C626 WeakPolarHBondContact O-CB 3.45Å; I623-C626 PolarHBondContact O-N 2.93Å; L624-C626 PolarHBondContact O-N 3.04Å; C626-S628 PolarHBondContact O-N 3.35Å; C626-D629 WeakPolarHBondContact O-CB 3.38Å; C626-D629 PolarHBondContact O-N 3.26Å; C626-N630 PolarHBondContact O-N 3.33Å; C626-W694 WeakPolarHBondContact SG-CZ2 3.13Å; C626-A704 HydrophobicContact CB-CB 4.17Å; C626-A704 WeakPolarHBondContact SG-CB 3.44Å
627	C	48.5	Very low	45.2	Very low	20 Å²	20	57.6 Å²	57.6	14%	0.135	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-28.7	179.5	-81.4	0	0	0	0	111.7	I623 L624 D629	I623-C627 PolarHBondContact O-N 3.32Å; I623-C627 PolarHBondContact O-SG 2.99Å; L624-C627 PolarHBondContact O-N 3.21Å; C627-D629 PolarHBondContact O-N 3.4Å
628	S	44.4	Very low	43.2	Very low	15 Å²	15	61.9 Å²	61.9	11%	0.105	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-28.4	168.5	34.3	0	0	0	0	113.3	L624 I625 C626 S654	L624-S628 PolarHBondContact O-N 3.27Å; L624-S628 PolarHBondContact O-OG 3.25Å; I625-S628 PolarHBondContact O-OG 2.99Å; C626-S628 PolarHBondContact O-N 3.35Å; S628-S654 VanDerWaalsContact O-CB 3.31Å; S628-S654 WeakPolarHBondContact O-CB 3.46Å
629	D	38.7	Very low	41.3	Very low	66 Å²	66	72.7 Å²	72.7	35%	0.353	38%	0.379	S	S	.	.	H	α-helix	trans	-86	-32.1	-176.2	-67.6	-19.1	0	0	0	113.5	C626 C627 Y631 S654	C626-D629 WeakPolarHBondContact O-CB 3.38Å; C626-D629 PolarHBondContact O-N 3.26Å; C627-D629 PolarHBondContact O-N 3.4Å; D629-Y631 VanDerWaalsContact C-N 3.27Å; D629-Y631 PolarHBondContact O-N 3.2Å; D629-S654 PolarHBondContact OD1-OG 2.89Å
630	N	38.1	Very low	39.6	Very low	119 Å²	119	76 Å²	76	64%	0.636	41%	0.408	S	S	*	.	H	α-helix	trans	-73.5	-15.5	-177.5	-81.8	-24.3	0	0	0	114	C626 E632 K633	C626-N630 PolarHBondContact O-N 3.33Å; N630-E632 PolarHBondContact O-N 2.92Å; N630-K633 PolarHBondContact O-N 3Å
631	Y	35.6	Very low	37.8	Very low	112 Å²	112	82.7 Å²	82.7	44%	0.439	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.6	-172	-109.6	-85.2	0	0	0	115	S585 G586 D629	S585-Y631 PolarHBondContact O-OH 3.07Å; G586-Y631 VanDerWaalsContact CA-OH 3.24Å; G586-Y631 WeakPolarHBondContact CA-OH 3.46Å; D629-Y631 VanDerWaalsContact C-N 3.27Å; D629-Y631 PolarHBondContact O-N 3.2Å
632	E	28.8	Very low	36	Very low	104 Å²	104	88.8 Å²	88.8	49%	0.486	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.4	176.5	-87.9	-171	179.3	0	0	114.6	N630 S653	N630-E632 PolarHBondContact O-N 2.92Å; E632-S653 PolarHBondContact OE1-OG 3.2Å; E632-S653 PolarHBondContact OE2-OG 3.07Å
633	K	31.8	Very low	34.6	Very low	129 Å²	129	94.3 Å²	94.3	56%	0.561	52%	0.515	S	S	*	.	S	Bend	trans	-96.2	-1.8	-173.9	-85.2	-169.4	174.8	-169.6	0	117.3	N630 L648	N630-K633 PolarHBondContact O-N 3Å; K633-L648 HydrophobicContact CD-CD2 4.22Å
634	T	26.9	Very low	33	Very low	121 Å²	121	102 Å²	102	74%	0.742	55%	0.55	S	S	*	*	S	Bend	trans	-97.3	0.3	177.9	49	0	0	0	0	115.5
635	C	24.7	Very low	31.6	Very low	123 Å²	123	105.8 Å²	105.8	83%	0.831	59%	0.585	S	S	*	*	S	Bend	trans	-112.1	5.7	-178	-76.8	0	0	0	0	116.5
636	S	25.6	Very low	30.3	Very low	95 Å²	95	110 Å²	110	66%	0.664	61%	0.611	S	S	*	*	S	Bend	trans	-124.4	93.8	172.6	63.4	0	0	0	0	111.9
637	E	24.9	Very low	29	Very low	179 Å²	179	116.9 Å²	116.9	84%	0.836	65%	0.646	S	S	*	*			trans	19.9	112.1	144	-64.1	-177.9	159.9	0	0	119.2
638	S	25.1	Very low	27.8	Very low	98 Å²	98	120.6 Å²	120.6	69%	0.685	66%	0.664	S	S	*	*				66.3	131.4	119.7	85	0	0	0	0	121.4
639	R	23.6	Very low	26.7	Very low	244 Å²	244	127.6 Å²	127.6	92%	0.921	70%	0.695	S	S	*	*			trans	91.3	135.4	147.8	-68.5	178.8	172.3	178.1	-1.1	119.5
640	A	25.5	Very low	26.1	Very low	88 Å²	88	129.6 Å²	129.6	73%	0.727	71%	0.705	S	S	*	*			trans	88.1	96.7	155.6	0	0	0	0	0	117.4
641	D	23.7	Very low	25.4	Very low	144 Å²	144	130.8 Å²	130.8	77%	0.77	70%	0.704	S	S	*	*				43.4	122.7	117.6	-63.6	-15	0	0	0	119.9
642	N	26.6	Very low	25.2	Very low	138 Å²	138	130.4 Å²	130.4	74%	0.738	72%	0.718	S	S	*	*			trans	72.8	103.1	142.1	-61.7	-17.5	0	0	0	118.8	E644	N642-E644 PolarHBondContact O-N 3.06Å
643	S	26.7	Very low	25.4	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	72%	0.72	S	S	*	*				50.4	58.1	126	69.5	0	0	0	0	117.7
644	E	22.1	Very low	25.5	Very low	175 Å²	175	124 Å²	124	82%	0.818	70%	0.7	S	S	*	*			trans	-135.9	135.2	140.1	-74.5	-170.7	157.2	0	0	106.8	N642 V646	N642-E644 PolarHBondContact O-N 3.06Å; E644-V646 VanDerWaalsContact C-N 3.33Å; E644-V646 PolarHBondContact O-N 3.49Å
645	A	23.6	Very low	26.1	Very low	99 Å²	99	123.4 Å²	123.4	82%	0.818	69%	0.692	S	S	*	*			trans	-58.2	97.8	179.2	0	0	0	0	0	108.3	I647	A645-I647 VanDerWaalsContact C-N 3.33Å; A645-I647 PolarHBondContact O-N 2.95Å
646	V	22.1	Very low	26.9	Very low	114 Å²	114	119 Å²	119	69%	0.691	66%	0.661	S	S	*	*			trans	-59.3	102.4	174.9	176.5	0	0	0	0	106.1	E644 L648	E644-V646 VanDerWaalsContact C-N 3.33Å; E644-V646 PolarHBondContact O-N 3.49Å; V646-L648 VanDerWaalsContact C-N 3.32Å; V646-L648 PolarHBondContact O-N 3Å
647	I	21.4	Very low	27.9	Very low	155 Å²	155	117.7 Å²	117.7	80%	0.795	65%	0.651	S	S	*	*			trans	-53.7	102.8	166.8	-62.1	171.2	0	0	0	104.9	A645 E649	A645-I647 VanDerWaalsContact C-N 3.33Å; A645-I647 PolarHBondContact O-N 2.95Å; I647-E649 VanDerWaalsContact C-N 3.32Å; I647-E649 PolarHBondContact O-N 3.46Å
648	L	24	Very low	28.8	Very low	98 Å²	98	115.2 Å²	115.2	51%	0.513	64%	0.643	S	S	.	*			trans	-66.2	94.5	176.1	-95.2	129.5	0	0	0	107.2	K633 V646 I650	K633-L648 HydrophobicContact CD-CD2 4.22Å; V646-L648 VanDerWaalsContact C-N 3.32Å; V646-L648 PolarHBondContact O-N 3Å; L648-I650 PolarHBondContact O-N 3.41Å; L648-I650 VanDerWaalsContact O-N 3.09Å
649	E	21.2	Very low	29.8	Very low	162 Å²	162	114.8 Å²	114.8	76%	0.757	63%	0.63	S	S	*	*			trans	-57.3	112.2	162.1	-80.1	-175.6	154.7	0	0	108.4	I647 K651	I647-E649 VanDerWaalsContact C-N 3.32Å; I647-E649 PolarHBondContact O-N 3.46Å; E649-K651 VanDerWaalsContact C-N 3.33Å; E649-K651 PolarHBondContact O-N 3.23Å
650	I	26.2	Very low	31.1	Very low	108 Å²	108	104.9 Å²	104.9	55%	0.554	59%	0.592	S	S	*	*			trans	-63.9	94.4	168.6	-60.1	168.1	0	0	0	106.6	L648 S652 Y762	L648-I650 PolarHBondContact O-N 3.41Å; L648-I650 VanDerWaalsContact O-N 3.09Å; I650-S652 PolarHBondContact O-N 3.08Å; I650-Y762 WeakPolarHBondContact CD1-OH 3.41Å
651	K	24.3	Very low	32.2	Very low	145 Å²	145	104 Å²	104	63%	0.63	57%	0.57	S	S	*	*			trans	-70.1	126	166.8	-76.1	-175.3	178.1	177.3	0	107.7	E649 S653	E649-K651 VanDerWaalsContact C-N 3.33Å; E649-K651 PolarHBondContact O-N 3.23Å; K651-S653 PolarHBondContact O-N 2.78Å
652	S	31.1	Very low	33.4	Very low	103 Å²	103	101.8 Å²	101.8	72%	0.72	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	19.6	-166.4	48.9	0	0	0	0	116.6	I650	I650-S652 PolarHBondContact O-N 3.08Å
653	S	32.6	Very low	34.6	Very low	77 Å²	77	96.5 Å²	96.5	54%	0.538	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-10.8	-171	39.8	0	0	0	0	116.3	E632 K651	E632-S653 PolarHBondContact OE1-OG 3.2Å; E632-S653 PolarHBondContact OE2-OG 3.07Å; K651-S653 PolarHBondContact O-N 2.78Å
654	S	34.1	Very low	35.8	Very low	21 Å²	21	91.8 Å²	91.8	15%	0.147	49%	0.494	C	S	.	.			trans	-110.1	21	-176.4	60	0	0	0	0	115.3	S628 D629 P656	S628-S654 VanDerWaalsContact O-CB 3.31Å; S628-S654 WeakPolarHBondContact O-CB 3.46Å; D629-S654 PolarHBondContact OD1-OG 2.89Å; S654-P656 WeakPolarHBondContact O-CD 3.48Å
655	I	38.4	Very low	37	Very low	110 Å²	110	86.7 Å²	86.7	56%	0.564	47%	0.47	S	S	*	.			trans	-67.9	124.6	175.7	-51.8	172.4	0	0	0	108.1
656	P	42.9	Very low	38.4	Very low	29 Å²	29	90.3 Å²	90.3	19%	0.188	46%	0.462	C	S	.	.			trans	-50.9	132.6	169.1	-23.7	31.5	0	0	0	108.8	S654 L658 Y660	S654-P656 WeakPolarHBondContact O-CD 3.48Å; P656-L658 PolarHBondContact O-N 3.01Å; P656-Y660 HydrophobicContact CB-CD2 4.24Å
657	P	45.1	Very low	39.9	Very low	68 Å²	68	85.6 Å²	85.6	44%	0.442	43%	0.433	S	S	.	.			trans	-42.5	132.6	-178.6	-32.7	33.9	0	0	0	111.7	H659 Y660	P657-H659 CarbonylContact O-C 3.58Å; P657-H659 PolarHBondContact O-N 3.13Å; P657-Y660 HydrophobicContact CB-CD2 3.79Å; P657-Y660 HydrophobicContact CB-CE2 3.7Å; P657-Y660 HydrophobicContact CG-CD2 3.99Å; P657-Y660 HydrophobicContact CG-CE2 3.61Å; P657-Y660 VanDerWaalsContact O-CD2 3.28Å; P657-Y660 WeakPolarHBondContact O-CD2 3.43Å; P657-Y660 PolarHBondContact O-N 2.84Å
658	L	44.8	Very low	41.5	Very low	128 Å²	128	79.2 Å²	79.2	67%	0.67	40%	0.399	S	S	*	.	H	α-helix	trans	-44.7	-26.8	-173.6	-128.5	128.9	0	0	0	114.4	P656 W661 L662	P656-L658 PolarHBondContact O-N 3.01Å; L658-W661 PolarHBondContact O-N 2.74Å; L658-L662 HydrophobicContact CD2-CD1 4.4Å; L658-L662 WeakPolarHBondContact O-CG 3.04Å; L658-L662 PolarHBondContact O-N 2.87Å; L658-L662 VanDerWaalsContact O-N 3.08Å
659	H	47	Very low	42.8	Very low	89 Å²	89	76.7 Å²	76.7	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-55.6	-43.8	171.3	-172.7	71	0	0	0	113.9	P657 L662 Q663	P657-H659 CarbonylContact O-C 3.58Å; P657-H659 PolarHBondContact O-N 3.13Å; H659-L662 WeakPolarHBondContact O-CB 3.5Å; H659-L662 PolarHBondContact O-N 3.43Å; H659-Q663 PolarHBondContact NE2-NE2 3.17Å; H659-Q663 WeakPolarHBondContact O-CG 3.23Å; H659-Q663 PolarHBondContact O-N 3.29Å
660	Y	49.2	Very low	44.3	Very low	35 Å²	35	72.2 Å²	72.2	14%	0.137	38%	0.375	C	S	.	.	H	α-helix	trans	-68.3	-39	-179.7	-58.9	-64.8	0	0	0	111.8	C592 F595 E596 P656 P657 L662 Q663 L664	C592-Y660 HydrophobicContact CB-CE1 4.15Å; C592-Y660 HydrophobicContact CB-CE2 3.67Å; C592-Y660 VanDerWaalsContact CB-CZ 3.48Å; C592-Y660 WeakPolarHBondContact CB-OH 3.41Å; C592-Y660 WeakPolarHBondContact O-CE1 3.38Å; F595-Y660 HydrophobicContact CD1-CD1 4.1Å; E596-Y660 HydrophobicContact CB-CE1 4.17Å; P656-Y660 HydrophobicContact CB-CD2 4.24Å; P657-Y660 HydrophobicContact CB-CD2 3.79Å; P657-Y660 HydrophobicContact CB-CE2 3.7Å; P657-Y660 HydrophobicContact CG-CD2 3.99Å; P657-Y660 HydrophobicContact CG-CE2 3.61Å; P657-Y660 VanDerWaalsContact O-CD2 3.28Å; P657-Y660 WeakPolarHBondContact O-CD2 3.43Å; P657-Y660 PolarHBondContact O-N 2.84Å; Y660-L662 VanDerWaalsContact C-N 3.31Å; Y660-L662 PolarHBondContact O-N 2.74Å; Y660-Q663 PolarHBondContact O-N 2.97Å; Y660-L664 WeakPolarHBondContact O-CB 3.37Å; Y660-L664 PolarHBondContact O-N 3.31Å
661	W	49.4	Very low	45.5	Very low	69 Å²	69	67.7 Å²	67.7	26%	0.261	35%	0.351	S	S	.	.	H	α-helix	trans	-59.2	-41.6	171.3	-77.7	107.5	0	0	0	112	I625 L658 L664 K665 S711	I625-W661 HydrophobicContact CD1-CH2 4.48Å; L658-W661 PolarHBondContact O-N 2.74Å; W661-L664 HydrophobicContact CE3-CD1 4.41Å; W661-K665 VanDerWaalsContact O-CB 3.23Å; W661-K665 WeakPolarHBondContact O-CB 3.34Å; W661-K665 PolarHBondContact O-N 2.77Å; W661-S711 VanDerWaalsContact CH2-CB 3.41Å
662	L	49.5	Very low	46.8	Very low	98 Å²	98	63.4 Å²	63.4	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-66.8	-36.4	175.5	-77.2	159	0	0	0	112.8	L658 H659 Y660 K665 R666	L658-L662 HydrophobicContact CD2-CD1 4.4Å; L658-L662 WeakPolarHBondContact O-CG 3.04Å; L658-L662 PolarHBondContact O-N 2.87Å; L658-L662 VanDerWaalsContact O-N 3.08Å; H659-L662 WeakPolarHBondContact O-CB 3.5Å; H659-L662 PolarHBondContact O-N 3.43Å; Y660-L662 VanDerWaalsContact C-N 3.31Å; Y660-L662 PolarHBondContact O-N 2.74Å; L662-K665 WeakPolarHBondContact O-CB 3.48Å; L662-K665 PolarHBondContact O-N 3.01Å; L662-R666 WeakPolarHBondContact O-CB 3.37Å; L662-R666 PolarHBondContact O-N 3.01Å
663	Q	51.5	Low	47.8	Very low	28 Å²	28	62.8 Å²	62.8	13%	0.131	34%	0.336	C	S	.	.	H	α-helix	trans	-72	-46.4	176.9	-69.5	-71.3	12.6	0	0	111.9	H659 Y660 K665 R666 I667	H659-Q663 PolarHBondContact NE2-NE2 3.17Å; H659-Q663 WeakPolarHBondContact O-CG 3.23Å; H659-Q663 PolarHBondContact O-N 3.29Å; Y660-Q663 PolarHBondContact O-N 2.97Å; Q663-K665 VanDerWaalsContact C-N 3.25Å; Q663-K665 PolarHBondContact O-N 3.44Å; Q663-R666 PolarHBondContact O-N 3.27Å; Q663-I667 WeakPolarHBondContact O-CB 3.22Å; Q663-I667 VanDerWaalsContact O-CG1 3.29Å; Q663-I667 WeakPolarHBondContact O-CG1 3.46Å; Q663-I667 PolarHBondContact O-N 3.01Å
664	L	50.4	Low	48.7	Very low	16 Å²	16	61.5 Å²	61.5	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-51.2	-50.8	168.7	-87.2	169.4	0	0	0	109.8	F595 L599 L621 Y660 W661 R666 I667 F668	F595-L664 HydrophobicContact CE1-CD1 4.19Å; F595-L664 HydrophobicContact CE1-CG 4.07Å; F595-L664 HydrophobicContact CZ-CD1 3.81Å; F595-L664 HydrophobicContact CZ-CD2 3.81Å; F595-L664 HydrophobicContact CZ-CG 3.74Å; L599-L664 HydrophobicContact CD1-CD2 4.05Å; L599-L664 HydrophobicContact CD1-CG 3.98Å; L599-L664 HydrophobicContact CD2-CD2 4.05Å; L621-L664 HydrophobicContact CD1-CD2 4.49Å; L621-L664 HydrophobicContact CD2-CD2 4.42Å; Y660-L664 WeakPolarHBondContact O-CB 3.37Å; Y660-L664 PolarHBondContact O-N 3.31Å; W661-L664 HydrophobicContact CE3-CD1 4.41Å; L664-R666 PolarHBondContact O-N 3.44Å; L664-I667 PolarHBondContact O-N 3.45Å; L664-F668 HydrophobicContact CD2-CD2 3.95Å; L664-F668 HydrophobicContact CD2-CE2 3.6Å; L664-F668 WeakPolarHBondContact O-CB 3.5Å; L664-F668 VanDerWaalsContact O-CD2 3.3Å; L664-F668 WeakPolarHBondContact O-CD2 3.31Å; L664-F668 PolarHBondContact O-N 3.13Å
665	K	48.8	Very low	49.5	Very low	68 Å²	68	62.4 Å²	62.4	30%	0.296	33%	0.33	S	S	.	.	H	α-helix	trans	-52.9	-55.1	176.1	179.5	168.9	-173	175.1	0	111.9	W661 L662 Q663 I667 F668 T669 L715 T718	W661-K665 VanDerWaalsContact O-CB 3.23Å; W661-K665 WeakPolarHBondContact O-CB 3.34Å; W661-K665 PolarHBondContact O-N 2.77Å; L662-K665 WeakPolarHBondContact O-CB 3.48Å; L662-K665 PolarHBondContact O-N 3.01Å; Q663-K665 VanDerWaalsContact C-N 3.25Å; Q663-K665 PolarHBondContact O-N 3.44Å; K665-I667 VanDerWaalsContact C-N 3.32Å; K665-I667 PolarHBondContact O-N 3.03Å; K665-F668 PolarHBondContact O-N 3.45Å; K665-T669 HydrophobicContact CG-CG2 4.01Å; K665-T669 VanDerWaalsContact O-CB 3.29Å; K665-T669 WeakPolarHBondContact O-CB 3.44Å; K665-T669 WeakPolarHBondContact O-CG2 3.15Å; K665-T669 PolarHBondContact O-N 3.44Å; K665-T669 PolarHBondContact O-OG1 3.31Å; K665-L715 HydrophobicContact CB-CD2 3.26Å; K665-L715 HydrophobicContact CD-CD2 3.95Å; K665-L715 HydrophobicContact CG-CD2 3.37Å; K665-T718 WeakPolarHBondContact CE-OG1 3.31Å; K665-T718 PolarHBondContact NZ-OG1 3.35Å
666	R	53.5	Low	49.9	Very low	175 Å²	175	62.7 Å²	62.7	66%	0.66	34%	0.336	S	S	*	.	H	α-helix	trans	-56.4	-46	-178	-175.3	-179.7	178.5	-172.7	-0.4	112.1	L662 Q663 L664 T669 S670	L662-R666 WeakPolarHBondContact O-CB 3.37Å; L662-R666 PolarHBondContact O-N 3.01Å; Q663-R666 PolarHBondContact O-N 3.27Å; L664-R666 PolarHBondContact O-N 3.44Å; R666-T669 WeakPolarHBondContact CA-OG1 3.38Å; R666-T669 PolarHBondContact O-OG1 2.99Å; R666-S670 WeakPolarHBondContact O-CB 3.41Å; R666-S670 PolarHBondContact O-N 2.89Å
667	I	53.2	Low	49.7	Very low	15 Å²	15	68.6 Å²	68.6	8%	0.077	36%	0.359	C	S	.	.	H	α-helix	trans	-68	-49.5	-177.9	-68.5	168.4	0	0	0	110.7	L599 L606 Q663 L664 K665 S670 W671	L599-I667 HydrophobicContact CB-CD1 3.6Å; L599-I667 HydrophobicContact CD1-CD1 4.16Å; L599-I667 HydrophobicContact CD2-CD1 4.17Å; L599-I667 HydrophobicContact CG-CD1 4.21Å; L606-I667 HydrophobicContact CD1-CG2 3.14Å; Q663-I667 WeakPolarHBondContact O-CB 3.22Å; Q663-I667 VanDerWaalsContact O-CG1 3.29Å; Q663-I667 WeakPolarHBondContact O-CG1 3.46Å; Q663-I667 PolarHBondContact O-N 3.01Å; L664-I667 PolarHBondContact O-N 3.45Å; K665-I667 VanDerWaalsContact C-N 3.32Å; K665-I667 PolarHBondContact O-N 3.03Å; I667-S670 WeakPolarHBondContact O-CB 3.39Å; I667-S670 PolarHBondContact O-N 3.23Å; I667-W671 PolarHBondContact O-N 2.73Å
668	F	54.4	Low	49.7	Very low	21 Å²	21	73.4 Å²	73.4	9%	0.092	38%	0.382	C	S	.	.	H	α-helix	trans	-66	-38.8	178	-84.9	-78.5	0	0	0	112.4	L618 L621 L664 K665 S670 W671 L672	L618-F668 HydrophobicContact CD2-CE1 3.71Å; L618-F668 HydrophobicContact CD2-CZ 3.66Å; L621-F668 HydrophobicContact CD1-CE2 3.71Å; L621-F668 HydrophobicContact CD1-CZ 3.53Å; L664-F668 HydrophobicContact CD2-CD2 3.95Å; L664-F668 HydrophobicContact CD2-CE2 3.6Å; L664-F668 WeakPolarHBondContact O-CB 3.5Å; L664-F668 VanDerWaalsContact O-CD2 3.3Å; L664-F668 WeakPolarHBondContact O-CD2 3.31Å; L664-F668 PolarHBondContact O-N 3.13Å; K665-F668 PolarHBondContact O-N 3.45Å; F668-S670 VanDerWaalsContact C-N 3.29Å; F668-S670 PolarHBondContact O-N 2.9Å; F668-W671 HydrophobicContact CD1-CE3 4.02Å; F668-W671 HydrophobicContact CD1-CZ3 4.45Å; F668-W671 HydrophobicContact CE1-CE3 4.33Å; F668-W671 HydrophobicContact CE1-CZ3 4.49Å; F668-W671 PolarHBondContact O-N 3.01Å; F668-L672 WeakPolarHBondContact O-CB 3.36Å; F668-L672 WeakPolarHBondContact O-CG 3.4Å; F668-L672 PolarHBondContact O-N 3.44Å
669	T	51.1	Low	49.7	Very low	45 Å²	45	68.1 Å²	68.1	28%	0.276	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-36.2	174.3	55.5	0	0	0	0	112.1	K665 R666 A673	K665-T669 HydrophobicContact CG-CG2 4.01Å; K665-T669 VanDerWaalsContact O-CB 3.29Å; K665-T669 WeakPolarHBondContact O-CB 3.44Å; K665-T669 WeakPolarHBondContact O-CG2 3.15Å; K665-T669 PolarHBondContact O-N 3.44Å; K665-T669 PolarHBondContact O-OG1 3.31Å; R666-T669 WeakPolarHBondContact CA-OG1 3.38Å; R666-T669 PolarHBondContact O-OG1 2.99Å; T669-A673 WeakPolarHBondContact O-CB 3.48Å; T669-A673 PolarHBondContact O-N 3.38Å
670	S	53	Low	49.5	Very low	68 Å²	68	66.4 Å²	66.4	48%	0.476	36%	0.355	S	S	.	.	H	α-helix	trans	-67.1	-42.3	176.3	-174.9	0	0	0	0	111.2	R666 I667 F668 S674	R666-S670 WeakPolarHBondContact O-CB 3.41Å; R666-S670 PolarHBondContact O-N 2.89Å; I667-S670 WeakPolarHBondContact O-CB 3.39Å; I667-S670 PolarHBondContact O-N 3.23Å; F668-S670 VanDerWaalsContact C-N 3.29Å; F668-S670 PolarHBondContact O-N 2.9Å; S670-S674 PolarHBondContact O-N 3.09Å
671	W	52	Low	49.6	Very low	13 Å²	13	67 Å²	67	5%	0.049	37%	0.371	C	S	.	.	H	α-helix	trans	-64.8	-50.7	176.5	-179.5	56.8	0	0	0	111.7	L606 L614 I667 F668 A673 S674 I675	L606-W671 HydrophobicContact CB-CB 4.19Å; L606-W671 HydrophobicContact CB-CG 4Å; L606-W671 HydrophobicContact CD1-CB 4.36Å; L606-W671 HydrophobicContact CD2-CG 4.48Å; L606-W671 PolarHBondContact O-NE1 3.28Å; L614-W671 HydrophobicContact CD1-CH2 3.96Å; L614-W671 HydrophobicContact CD1-CZ2 3.2Å; L614-W671 HydrophobicContact CD2-CH2 3.44Å; L614-W671 VanDerWaalsContact CD2-CH2 3.44Å; L614-W671 HydrophobicContact CD2-CZ2 3.61Å; L614-W671 HydrophobicContact CD2-CZ3 4.23Å; L614-W671 HydrophobicContact CG-CH2 4.35Å; L614-W671 HydrophobicContact CG-CZ2 4.05Å; I667-W671 PolarHBondContact O-N 2.73Å; F668-W671 HydrophobicContact CD1-CE3 4.02Å; F668-W671 HydrophobicContact CD1-CZ3 4.45Å; F668-W671 HydrophobicContact CE1-CE3 4.33Å; F668-W671 HydrophobicContact CE1-CZ3 4.49Å; F668-W671 PolarHBondContact O-N 3.01Å; W671-A673 VanDerWaalsContact C-N 3.3Å; W671-A673 PolarHBondContact O-N 2.93Å; W671-S674 WeakPolarHBondContact O-CB 3.34Å; W671-S674 PolarHBondContact O-N 3.34Å; W671-S674 PolarHBondContact O-OG 3.36Å; W671-I675 HydrophobicContact CD2-CD1 4Å; W671-I675 HydrophobicContact CE3-CD1 4.49Å; W671-I675 HydrophobicContact CG-CD1 4.46Å; W671-I675 HydrophobicContact CH2-CD1 4.2Å; W671-I675 HydrophobicContact CZ2-CD1 3.65Å; W671-I675 PolarHBondContact O-N 2.86Å
672	L	50.4	Low	49.7	Very low	56 Å²	56	66.6 Å²	66.6	29%	0.293	37%	0.372	S	S	.	.	H	α-helix	trans	-59.9	-38	177.2	-72.3	170.7	0	0	0	112.5	F668 S674 I683	F668-L672 WeakPolarHBondContact O-CB 3.36Å; F668-L672 WeakPolarHBondContact O-CG 3.4Å; F668-L672 PolarHBondContact O-N 3.44Å; L672-S674 VanDerWaalsContact C-N 3.28Å; L672-S674 PolarHBondContact O-N 2.69Å; L672-I683 HydrophobicContact CD2-CD1 3.86Å
673	A	52.9	Low	49.9	Very low	90 Å²	90	63.2 Å²	63.2	74%	0.744	35%	0.354	S	S	*	.	H	α-helix	trans	-70	-23.9	176.4	0	0	0	0	0	113.5	T669 W671	T669-A673 WeakPolarHBondContact O-CB 3.48Å; T669-A673 PolarHBondContact O-N 3.38Å; W671-A673 VanDerWaalsContact C-N 3.3Å; W671-A673 PolarHBondContact O-N 2.93Å
674	S	52.1	Low	49.8	Very low	50 Å²	50	65 Å²	65	35%	0.35	36%	0.362	S	S	.	.	H	α-helix	trans	-81.7	-23.9	180	76.5	0	0	0	0	113.5	N607 S670 W671 L672 T676	N607-S674 PolarHBondContact OD1-OG 2.7Å; S670-S674 PolarHBondContact O-N 3.09Å; W671-S674 WeakPolarHBondContact O-CB 3.34Å; W671-S674 PolarHBondContact O-N 3.34Å; W671-S674 PolarHBondContact O-OG 3.36Å; L672-S674 VanDerWaalsContact C-N 3.28Å; L672-S674 PolarHBondContact O-N 2.69Å; S674-T676 PolarHBondContact O-N 3.36Å
675	I	50.9	Low	50	Low	40 Å²	40	69.2 Å²	69.2	21%	0.205	38%	0.381	C	S	.	.	S	Bend	trans	-78.3	117.4	-178.6	-63.9	166.7	0	0	0	108.8	W671 I683	W671-I675 HydrophobicContact CD2-CD1 4Å; W671-I675 HydrophobicContact CE3-CD1 4.49Å; W671-I675 HydrophobicContact CG-CD1 4.46Å; W671-I675 HydrophobicContact CH2-CD1 4.2Å; W671-I675 HydrophobicContact CZ2-CD1 3.65Å; W671-I675 PolarHBondContact O-N 2.86Å; I675-I683 HydrophobicContact CD1-CD1 4.17Å; I675-I683 HydrophobicContact CD1-CG1 4.29Å
676	T	45.2	Very low	50.3	Low	115 Å²	115	66 Å²	66	71%	0.706	37%	0.368	S	S	*	.			trans	-61.1	135.7	172	47.7	0	0	0	0	110.5	S674 D678 G679	S674-T676 PolarHBondContact O-N 3.36Å; T676-D678 PolarHBondContact O-N 2.87Å; T676-G679 PolarHBondContact O-N 3.34Å
677	F	40.3	Very low	50.3	Low	153 Å²	153	59.2 Å²	59.2	67%	0.671	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-51.1	-7.2	-169.9	-94.4	-90.4	0	0	0	118.3	G679 L725	F677-G679 PolarHBondContact O-N 3.23Å; F677-L725 HydrophobicContact CE1-CD1 4.28Å; F677-L725 HydrophobicContact CE1-CG 4.45Å; F677-L725 HydrophobicContact CZ-CD1 4.27Å
678	D	43.5	Very low	50.3	Low	170 Å²	170	61.5 Å²	61.5	91%	0.909	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-78.4	-0.8	178	-70.5	-21.1	0	0	0	113.5	T676	T676-D678 PolarHBondContact O-N 2.87Å
679	G	45	Very low	50.4	Low	16 Å²	16	62.2 Å²	62.2	17%	0.165	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-104.8	17.6	-172.4	0	0	0	0	0	117.8	T676 F677 G681 F682 I683	T676-G679 PolarHBondContact O-N 3.34Å; F677-G679 PolarHBondContact O-N 3.23Å; G679-G681 VanDerWaalsContact C-N 3.29Å; G679-G681 PolarHBondContact O-N 2.84Å; G679-F682 VanDerWaalsContact O-CB 3.3Å; G679-F682 WeakPolarHBondContact O-CB 3.18Å; G679-F682 PolarHBondContact O-N 3.25Å; G679-I683 PolarHBondContact O-N 3.46Å
680	C	44.2	Very low	50.6	Low	54 Å²	54	60.4 Å²	60.4	37%	0.365	35%	0.354	S	S	.	.	H	α-helix	trans	-55	-41.8	-179.2	-79.3	0	0	0	0	113.1	F682 I683 E684	C680-F682 VanDerWaalsContact C-N 3.28Å; C680-F682 PolarHBondContact O-N 3.29Å; C680-I683 PolarHBondContact O-N 2.94Å; C680-E684 VanDerWaalsContact O-CG 3.32Å; C680-E684 WeakPolarHBondContact O-CG 3.19Å; C680-E684 PolarHBondContact O-N 3.37Å; C680-E684 VanDerWaalsContact O-N 3.11Å
681	G	49.7	Very low	50.6	Low	46 Å²	46	58 Å²	58	47%	0.474	34%	0.336	S	S	.	.	H	α-helix	trans	-66.7	-25.7	176.2	0	0	0	0	0	114.4	G679 H685	G679-G681 VanDerWaalsContact C-N 3.29Å; G679-G681 PolarHBondContact O-N 2.84Å; G681-H685 WeakPolarHBondContact O-CB 3.17Å; G681-H685 PolarHBondContact O-N 3.06Å
682	F	52.9	Low	50.7	Low	61 Å²	61	59.4 Å²	59.4	27%	0.268	35%	0.346	S	S	.	.	H	α-helix	trans	-69.3	-47.3	175.7	168.5	-109.3	0	0	0	110.9	E611 G679 C680 E684 H685 V686	E611-F682 HydrophobicContact CB-CE2 3.81Å; E611-F682 HydrophobicContact CB-CZ 4.43Å; E611-F682 HydrophobicContact CG-CD2 4.28Å; E611-F682 HydrophobicContact CG-CE2 3.4Å; E611-F682 HydrophobicContact CG-CZ 4.17Å; E611-F682 WeakPolarHBondContact OE1-CD2 3.37Å; E611-F682 WeakPolarHBondContact OE1-CE2 3.37Å; G679-F682 VanDerWaalsContact O-CB 3.3Å; G679-F682 WeakPolarHBondContact O-CB 3.18Å; G679-F682 PolarHBondContact O-N 3.25Å; C680-F682 VanDerWaalsContact C-N 3.28Å; C680-F682 PolarHBondContact O-N 3.29Å; F682-E684 VanDerWaalsContact C-N 3.33Å; F682-E684 PolarHBondContact O-N 3.09Å; F682-H685 PolarHBondContact O-N 2.93Å; F682-V686 HydrophobicContact CD2-CG2 4.03Å; F682-V686 HydrophobicContact CE1-CG2 4.49Å; F682-V686 HydrophobicContact CE2-CG2 3.55Å; F682-V686 HydrophobicContact CZ-CG2 3.85Å; F682-V686 WeakPolarHBondContact O-CB 3.3Å; F682-V686 VanDerWaalsContact O-CG2 3.25Å; F682-V686 WeakPolarHBondContact O-CG2 3.43Å; F682-V686 PolarHBondContact O-N 3.24Å
683	I	53.9	Low	50.9	Low	28 Å²	28	59.9 Å²	59.9	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-43.7	176.5	-62.3	169.7	0	0	0	110.2	L672 I675 G679 C680 V686 I687	L672-I683 HydrophobicContact CD2-CD1 3.86Å; I675-I683 HydrophobicContact CD1-CD1 4.17Å; I675-I683 HydrophobicContact CD1-CG1 4.29Å; G679-I683 PolarHBondContact O-N 3.46Å; C680-I683 PolarHBondContact O-N 2.94Å; I683-V686 PolarHBondContact O-N 3.38Å; I683-I687 HydrophobicContact CG2-CD1 3.62Å; I683-I687 HydrophobicContact CG2-CG1 4.25Å; I683-I687 WeakPolarHBondContact O-CB 3.42Å; I683-I687 VanDerWaalsContact O-CG1 3.3Å; I683-I687 WeakPolarHBondContact O-CG1 3.39Å; I683-I687 PolarHBondContact O-N 3.48Å
684	E	49	Very low	50.9	Low	64 Å²	64	55.9 Å²	55.9	30%	0.299	31%	0.311	S	S	.	.	H	α-helix	trans	-56	-52.7	175.4	-73.8	-176.4	-179	0	0	112.1	C680 F682 V686 I687 V688 I732	C680-E684 VanDerWaalsContact O-CG 3.32Å; C680-E684 WeakPolarHBondContact O-CG 3.19Å; C680-E684 PolarHBondContact O-N 3.37Å; C680-E684 VanDerWaalsContact O-N 3.11Å; F682-E684 VanDerWaalsContact C-N 3.33Å; F682-E684 PolarHBondContact O-N 3.09Å; E684-V686 VanDerWaalsContact C-N 3.32Å; E684-V686 PolarHBondContact O-N 3.11Å; E684-I687 PolarHBondContact O-N 3.24Å; E684-V688 WeakPolarHBondContact O-CB 3.44Å; E684-V688 VanDerWaalsContact O-CG2 3.25Å; E684-V688 WeakPolarHBondContact O-CG2 3.15Å; E684-V688 PolarHBondContact O-N 3.36Å; E684-I732 HydrophobicContact CG-CD1 3.3Å; E684-I732 HydrophobicContact CG-CG1 3.5Å; E684-I732 VanDerWaalsContact CG-CG1 3.5Å; E684-I732 WeakPolarHBondContact OE1-CD1 3.34Å; E684-I732 VanDerWaalsContact OE1-CG1 3.25Å; E684-I732 WeakPolarHBondContact OE1-CG1 3.49Å
685	H	53.1	Low	50.8	Low	106 Å²	106	55 Å²	55	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-44.4	179.6	-178.1	-93.5	0	0	0	111.3	G681 F682 V688 T689	G681-H685 WeakPolarHBondContact O-CB 3.17Å; G681-H685 PolarHBondContact O-N 3.06Å; F682-H685 PolarHBondContact O-N 2.93Å; H685-V688 PolarHBondContact O-N 3.49Å; H685-T689 VanDerWaalsContact O-CB 3.3Å; H685-T689 WeakPolarHBondContact O-CB 3.49Å; H685-T689 VanDerWaalsContact O-CG2 3.29Å; H685-T689 WeakPolarHBondContact O-CG2 3.28Å; H685-T689 PolarHBondContact O-N 2.77Å; H685-T689 PolarHBondContact O-OG1 3.36Å
686	V	56.3	Low	51.1	Low	1 Å²	1	58.4 Å²	58.4	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-42	-179.6	172.9	0	0	0	0	112.2	E611 L614 V615 L618 F682 I683 E684 T689 A690	E611-V686 HydrophobicContact CB-CG2 4.45Å; L614-V686 HydrophobicContact CB-CG1 4.21Å; L614-V686 HydrophobicContact CD2-CG1 3.29Å; L614-V686 HydrophobicContact CG-CG1 4.33Å; V615-V686 HydrophobicContact CG2-CB 4.39Å; V615-V686 HydrophobicContact CG2-CG1 3.87Å; L618-V686 HydrophobicContact CD1-CG1 3.71Å; F682-V686 HydrophobicContact CD2-CG2 4.03Å; F682-V686 HydrophobicContact CE1-CG2 4.49Å; F682-V686 HydrophobicContact CE2-CG2 3.55Å; F682-V686 HydrophobicContact CZ-CG2 3.85Å; F682-V686 WeakPolarHBondContact O-CB 3.3Å; F682-V686 VanDerWaalsContact O-CG2 3.25Å; F682-V686 WeakPolarHBondContact O-CG2 3.43Å; F682-V686 PolarHBondContact O-N 3.24Å; I683-V686 PolarHBondContact O-N 3.38Å; E684-V686 VanDerWaalsContact C-N 3.32Å; E684-V686 PolarHBondContact O-N 3.11Å; V686-T689 WeakPolarHBondContact CA-OG1 3.29Å; V686-T689 PolarHBondContact O-OG1 3.49Å; V686-T689 VanDerWaalsContact O-OG1 3.11Å; V686-A690 VanDerWaalsContact O-CB 3.23Å; V686-A690 WeakPolarHBondContact O-CB 3.35Å; V686-A690 PolarHBondContact O-N 3.41Å
687	I	54	Low	51.4	Low	31 Å²	31	58.2 Å²	58.2	16%	0.159	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-48.4	176	-68.8	172.2	0	0	0	110.4	I683 E684 T689 A690 I691 L712	I683-I687 HydrophobicContact CG2-CD1 3.62Å; I683-I687 HydrophobicContact CG2-CG1 4.25Å; I683-I687 WeakPolarHBondContact O-CB 3.42Å; I683-I687 VanDerWaalsContact O-CG1 3.3Å; I683-I687 WeakPolarHBondContact O-CG1 3.39Å; I683-I687 PolarHBondContact O-N 3.48Å; E684-I687 PolarHBondContact O-N 3.24Å; I687-T689 PolarHBondContact O-N 2.9Å; I687-A690 PolarHBondContact O-N 3.02Å; I687-I691 HydrophobicContact CG2-CD1 3.63Å; I687-I691 HydrophobicContact CG2-CG1 4.36Å; I687-I691 WeakPolarHBondContact O-CB 3.4Å; I687-I691 VanDerWaalsContact O-CG1 3.24Å; I687-I691 WeakPolarHBondContact O-CG1 3.24Å; I687-I691 PolarHBondContact O-N 3.16Å; I687-L712 HydrophobicContact CG2-CD1 4.31Å
688	V	52.9	Low	51.7	Low	63 Å²	63	53.4 Å²	53.4	38%	0.382	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-41	-179.8	172.7	0	0	0	0	111.1	E684 H685 I691 T692	E684-V688 WeakPolarHBondContact O-CB 3.44Å; E684-V688 VanDerWaalsContact O-CG2 3.25Å; E684-V688 WeakPolarHBondContact O-CG2 3.15Å; E684-V688 PolarHBondContact O-N 3.36Å; H685-V688 PolarHBondContact O-N 3.49Å; V688-I691 PolarHBondContact O-N 2.89Å; V688-T692 HydrophobicContact CG1-CG2 4.32Å; V688-T692 WeakPolarHBondContact O-CB 3.31Å; V688-T692 WeakPolarHBondContact O-CG2 3.3Å; V688-T692 PolarHBondContact O-N 3.33Å; V688-T692 PolarHBondContact O-OG1 3.31Å
689	T	55.2	Low	51.8	Low	36 Å²	36	47.3 Å²	47.3	22%	0.221	27%	0.274	C	S	.	.	H	α-helix	trans	-68.9	-36.1	176.4	49.2	0	0	0	0	112.7	V615 H685 V686 I687 T692 K693	V615-T689 WeakPolarHBondContact CG2-OG1 3.5Å; H685-T689 VanDerWaalsContact O-CB 3.3Å; H685-T689 WeakPolarHBondContact O-CB 3.49Å; H685-T689 VanDerWaalsContact O-CG2 3.29Å; H685-T689 WeakPolarHBondContact O-CG2 3.28Å; H685-T689 PolarHBondContact O-N 2.77Å; H685-T689 PolarHBondContact O-OG1 3.36Å; V686-T689 WeakPolarHBondContact CA-OG1 3.29Å; V686-T689 PolarHBondContact O-OG1 3.49Å; V686-T689 VanDerWaalsContact O-OG1 3.11Å; I687-T689 PolarHBondContact O-N 2.9Å; T689-T692 VanDerWaalsContact CA-OG1 3.28Å; T689-T692 WeakPolarHBondContact CA-OG1 3.48Å; T689-T692 PolarHBondContact O-OG1 3.27Å; T689-K693 VanDerWaalsContact O-CB 3.22Å; T689-K693 WeakPolarHBondContact O-CB 3.48Å; T689-K693 PolarHBondContact O-N 2.91Å
690	A	56.4	Low	51.5	Low	7 Å²	7	53.3 Å²	53.3	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-44	172.8	0	0	0	0	0	111.9	V615 L618 V686 I687 W694	V615-A690 HydrophobicContact CG1-CB 4.26Å; L618-A690 HydrophobicContact CB-CB 3.6Å; L618-A690 HydrophobicContact CD1-CB 4.1Å; V686-A690 VanDerWaalsContact O-CB 3.23Å; V686-A690 WeakPolarHBondContact O-CB 3.35Å; V686-A690 PolarHBondContact O-N 3.41Å; I687-A690 PolarHBondContact O-N 3.02Å; A690-W694 WeakPolarHBondContact O-CB 3.35Å; A690-W694 PolarHBondContact O-N 3.07Å
691	I	52.5	Low	51.5	Low	19 Å²	19	53 Å²	53	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-47	176.1	-69	168.9	0	0	0	110.3	I687 V688 K693 W694 I695 L740	I687-I691 HydrophobicContact CG2-CD1 3.63Å; I687-I691 HydrophobicContact CG2-CG1 4.36Å; I687-I691 WeakPolarHBondContact O-CB 3.4Å; I687-I691 VanDerWaalsContact O-CG1 3.24Å; I687-I691 WeakPolarHBondContact O-CG1 3.24Å; I687-I691 PolarHBondContact O-N 3.16Å; V688-I691 PolarHBondContact O-N 2.89Å; I691-K693 PolarHBondContact O-N 3.44Å; I691-W694 WeakPolarHBondContact O-CB 3.47Å; I691-W694 PolarHBondContact O-N 2.96Å; I691-I695 HydrophobicContact CG2-CD1 3.71Å; I691-I695 HydrophobicContact CG2-CG1 4.34Å; I691-I695 VanDerWaalsContact O-CG1 3.27Å; I691-I695 WeakPolarHBondContact O-CG1 3.31Å; I691-I695 PolarHBondContact O-N 2.89Å; I691-L740 HydrophobicContact CG2-CD2 4.44Å
692	T	54	Low	50.9	Low	41 Å²	41	54.4 Å²	54.4	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-44.1	179.2	52.7	0	0	0	0	111.6	V688 T689 W694 I695 T696 Y739	V688-T692 HydrophobicContact CG1-CG2 4.32Å; V688-T692 WeakPolarHBondContact O-CB 3.31Å; V688-T692 WeakPolarHBondContact O-CG2 3.3Å; V688-T692 PolarHBondContact O-N 3.33Å; V688-T692 PolarHBondContact O-OG1 3.31Å; T689-T692 VanDerWaalsContact CA-OG1 3.28Å; T689-T692 WeakPolarHBondContact CA-OG1 3.48Å; T689-T692 PolarHBondContact O-OG1 3.27Å; T692-W694 VanDerWaalsContact C-N 3.28Å; T692-W694 PolarHBondContact O-N 3.39Å; T692-I695 PolarHBondContact O-N 3.44Å; T692-T696 WeakPolarHBondContact O-CG2 3.14Å; T692-T696 PolarHBondContact O-N 2.9Å; T692-Y739 HydrophobicContact CG2-CE1 4.23Å
693	K	55	Low	50.6	Low	67 Å²	67	53.4 Å²	53.4	29%	0.291	30%	0.297	S	S	.	.	H	α-helix	trans	-59.2	-41.8	174.3	-169.2	168.8	-169.5	164.6	0	111.4	V615 D616 T689 I691 T696 H697	V615-K693 HydrophobicContact CG1-CD 4.03Å; D616-K693 WeakPolarHBondContact OD1-CE 3.28Å; D616-K693 IonicContact OD1-NZ 2.64Å; D616-K693 PolarHBondContact OD1-NZ 2.95Å; T689-K693 VanDerWaalsContact O-CB 3.22Å; T689-K693 WeakPolarHBondContact O-CB 3.48Å; T689-K693 PolarHBondContact O-N 2.91Å; I691-K693 PolarHBondContact O-N 3.44Å; K693-T696 PolarHBondContact O-N 3.33Å; K693-T696 PolarHBondContact O-OG1 3.34Å; K693-H697 PolarHBondContact O-CD2 3.35Å; K693-H697 VanDerWaalsContact O-CD2 3.24Å; K693-H697 PolarHBondContact O-N 3.14Å
694	W	53.2	Low	50.1	Low	5 Å²	5	52.2 Å²	52.2	2%	0.019	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-45.6	176.7	178.3	64.2	0	0	0	112.9	C626 A690 I691 T692 T696 H697 N698 A704 E705	C626-W694 WeakPolarHBondContact SG-CZ2 3.13Å; A690-W694 WeakPolarHBondContact O-CB 3.35Å; A690-W694 PolarHBondContact O-N 3.07Å; I691-W694 WeakPolarHBondContact O-CB 3.47Å; I691-W694 PolarHBondContact O-N 2.96Å; T692-W694 VanDerWaalsContact C-N 3.28Å; T692-W694 PolarHBondContact O-N 3.39Å; W694-T696 VanDerWaalsContact C-N 3.3Å; W694-T696 PolarHBondContact O-N 2.93Å; W694-H697 PolarHBondContact O-N 3.18Å; W694-N698 PolarHBondContact NE1-ND2 3.2Å; W694-N698 PolarHBondContact O-N 3.31Å; W694-A704 HydrophobicContact CH2-CB 3.33Å; W694-A704 HydrophobicContact CZ2-CB 3.51Å; W694-E705 HydrophobicContact CE3-CG 4.26Å; W694-E705 HydrophobicContact CH2-CB 4.38Å; W694-E705 HydrophobicContact CH2-CG 3.64Å; W694-E705 HydrophobicContact CZ3-CB 3.98Å; W694-E705 HydrophobicContact CZ3-CG 3.21Å
695	I	50	Low	49.7	Very low	33 Å²	33	49.6 Å²	49.6	17%	0.169	28%	0.28	C	S	.	.	H	α-helix	trans	-55.8	-44.6	174.8	-69.3	164.8	0	0	0	110.8	I691 T692 H697 G699 Y739 L740	I691-I695 HydrophobicContact CG2-CD1 3.71Å; I691-I695 HydrophobicContact CG2-CG1 4.34Å; I691-I695 VanDerWaalsContact O-CG1 3.27Å; I691-I695 WeakPolarHBondContact O-CG1 3.31Å; I691-I695 PolarHBondContact O-N 2.89Å; T692-I695 PolarHBondContact O-N 3.44Å; I695-H697 VanDerWaalsContact C-N 3.26Å; I695-H697 PolarHBondContact O-N 3.24Å; I695-G699 PolarHBondContact O-N 3.12Å; I695-Y739 HydrophobicContact CD1-CE1 3.87Å; I695-L740 HydrophobicContact CD1-CD2 4.14Å
696	T	55.9	Low	49.2	Very low	110 Å²	110	47 Å²	47	68%	0.675	27%	0.268	S	S	*	.	H	α-helix	trans	-63.4	-30.3	178.7	61.4	0	0	0	0	113.6	T692 K693 W694	T692-T696 WeakPolarHBondContact O-CG2 3.14Å; T692-T696 PolarHBondContact O-N 2.9Å; K693-T696 PolarHBondContact O-N 3.33Å; K693-T696 PolarHBondContact O-OG1 3.34Å; W694-T696 VanDerWaalsContact C-N 3.3Å; W694-T696 PolarHBondContact O-N 2.93Å
697	H	51.9	Low	48.6	Very low	112 Å²	112	47.9 Å²	47.9	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-91.8	-26.8	-175.9	-84.1	-67.9	0	0	0	114.6	K693 W694 I695	K693-H697 PolarHBondContact O-CD2 3.35Å; K693-H697 VanDerWaalsContact O-CD2 3.24Å; K693-H697 PolarHBondContact O-N 3.14Å; W694-H697 PolarHBondContact O-N 3.18Å; I695-H697 VanDerWaalsContact C-N 3.26Å; I695-H697 PolarHBondContact O-N 3.24Å
698	N	47	Very low	48.2	Very low	52 Å²	52	47.6 Å²	47.6	28%	0.278	27%	0.274	S	S	.	.	H	α-helix	trans	-112	-11.6	-171.3	-88.4	6.6	0	0	0	115.4	R583 W694	R583-N698 PolarHBondContact NH2-OD1 3.31Å; W694-N698 PolarHBondContact NE1-ND2 3.2Å; W694-N698 PolarHBondContact O-N 3.31Å
699	G	45.4	Very low	47.8	Very low	41 Å²	41	45.4 Å²	45.4	42%	0.423	26%	0.261	S	S	.	.			trans	68.7	160	-173.5	0	0	0	0	0	112.5	I695 S701	I695-G699 PolarHBondContact O-N 3.12Å; G699-S701 PolarHBondContact O-N 3.34Å
700	N	39.2	Very low	47.2	Very low	142 Å²	142	44.7 Å²	44.7	76%	0.759	26%	0.256	S	S	*	.			trans	-62.3	95	-169.5	-59	-2.2	0	0	0	111.8
701	S	43.8	Very low	46.6	Very low	47 Å²	47	44.7 Å²	44.7	33%	0.329	26%	0.256	S	S	.	.			trans	-120.5	87.5	164.2	52.6	0	0	0	0	108.2	G699 S703 A704	G699-S701 PolarHBondContact O-N 3.34Å; S701-S703 PolarHBondContact O-N 2.97Å; S701-A704 PolarHBondContact O-N 3.38Å; S701-A704 VanDerWaalsContact O-N 3.12Å
702	L	38	Very low	46.3	Very low	76 Å²	76	45.9 Å²	45.9	40%	0.398	26%	0.262	S	S	.	.	H	α-helix	trans	-50.4	-30	-176.6	-120.9	98.6	0	0	0	113.7	A704 E705 Q706	L702-A704 VanDerWaalsContact C-N 3.34Å; L702-A704 PolarHBondContact O-N 3.16Å; L702-E705 WeakPolarHBondContact CA-OE2 3.42Å; L702-E705 PolarHBondContact O-N 3.26Å; L702-Q706 WeakPolarHBondContact O-CG 3.22Å; L702-Q706 PolarHBondContact O-N 2.75Å; L702-Q706 VanDerWaalsContact O-N 3.1Å
703	S	46	Very low	45.7	Very low	40 Å²	40	45.4 Å²	45.4	28%	0.28	26%	0.255	S	S	.	.	H	α-helix	trans	-67.4	-32	-177.3	58	0	0	0	0	113.7	S701 Q706 A707	S701-S703 PolarHBondContact O-N 2.97Å; S703-Q706 WeakPolarHBondContact O-CB 3.37Å; S703-A707 PolarHBondContact O-N 2.66Å; S703-A707 VanDerWaalsContact O-N 3.09Å
704	A	42.5	Very low	45.2	Very low	3 Å²	3	44.8 Å²	44.8	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-81.2	-33	179.4	0	0	0	0	0	112.2	C626 W694 S701 L702 Q706 A707 L708	C626-A704 HydrophobicContact CB-CB 4.17Å; C626-A704 WeakPolarHBondContact SG-CB 3.44Å; W694-A704 HydrophobicContact CH2-CB 3.33Å; W694-A704 HydrophobicContact CZ2-CB 3.51Å; S701-A704 PolarHBondContact O-N 3.38Å; S701-A704 VanDerWaalsContact O-N 3.12Å; L702-A704 VanDerWaalsContact C-N 3.34Å; L702-A704 PolarHBondContact O-N 3.16Å; A704-Q706 VanDerWaalsContact C-N 3.26Å; A704-Q706 PolarHBondContact O-N 3.15Å; A704-A707 PolarHBondContact O-N 2.88Å; A704-L708 PolarHBondContact O-N 2.87Å
705	E	41.7	Very low	44.6	Very low	10 Å²	10	45.4 Å²	45.4	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-42.1	170.5	-63.7	158.7	-175.9	0	0	109.6	W694 L702 C709 L740	W694-E705 HydrophobicContact CE3-CG 4.26Å; W694-E705 HydrophobicContact CH2-CB 4.38Å; W694-E705 HydrophobicContact CH2-CG 3.64Å; W694-E705 HydrophobicContact CZ3-CB 3.98Å; W694-E705 HydrophobicContact CZ3-CG 3.21Å; L702-E705 WeakPolarHBondContact CA-OE2 3.42Å; L702-E705 PolarHBondContact O-N 3.26Å; E705-C709 WeakPolarHBondContact O-CB 3.29Å; E705-C709 PolarHBondContact O-N 2.73Å; E705-C709 VanDerWaalsContact O-N 3.07Å; E705-C709 PolarHBondContact O-SG 3.44Å; E705-L740 HydrophobicContact CB-CD1 3.8Å; E705-L740 HydrophobicContact CB-CD2 3.8Å; E705-L740 HydrophobicContact CB-CG 4.39Å; E705-L740 HydrophobicContact CG-CD2 3.73Å; E705-L740 WeakPolarHBondContact OE2-CD2 3.22Å
706	Q	42.2	Very low	44.2	Very low	50 Å²	50	46.8 Å²	46.8	23%	0.234	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-46.6	174.3	-69	167.9	-10.4	0	0	112.1	L702 S703 A704 L708 C709 I710 W755	L702-Q706 WeakPolarHBondContact O-CG 3.22Å; L702-Q706 PolarHBondContact O-N 2.75Å; L702-Q706 VanDerWaalsContact O-N 3.1Å; S703-Q706 WeakPolarHBondContact O-CB 3.37Å; A704-Q706 VanDerWaalsContact C-N 3.26Å; A704-Q706 PolarHBondContact O-N 3.15Å; Q706-L708 PolarHBondContact O-N 2.97Å; Q706-C709 PolarHBondContact O-N 3.16Å; Q706-I710 HydrophobicContact CB-CD1 4.36Å; Q706-I710 VanDerWaalsContact O-CB 3.23Å; Q706-I710 WeakPolarHBondContact O-CB 3.36Å; Q706-I710 VanDerWaalsContact O-CD1 3.32Å; Q706-I710 WeakPolarHBondContact O-CD1 3.16Å; Q706-I710 WeakPolarHBondContact O-CG1 3.4Å; Q706-I710 PolarHBondContact O-N 3.26Å; Q706-W755 HydrophobicContact CB-CH2 4.47Å; Q706-W755 HydrophobicContact CG-CH2 3.67Å; Q706-W755 HydrophobicContact CG-CZ2 4.16Å; Q706-W755 HydrophobicContact CG-CZ3 4.44Å
707	A	43.7	Very low	43.3	Very low	21 Å²	21	43.9 Å²	43.9	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-38.9	-179.2	0	0	0	0	0	113.1	I625 S703 A704 S711	I625-A707 HydrophobicContact CG2-CB 4.25Å; S703-A707 PolarHBondContact O-N 2.66Å; S703-A707 VanDerWaalsContact O-N 3.09Å; A704-A707 PolarHBondContact O-N 2.88Å; A707-S711 VanDerWaalsContact O-CB 3.26Å; A707-S711 WeakPolarHBondContact O-CB 3.25Å; A707-S711 PolarHBondContact O-N 3.4Å; A707-S711 PolarHBondContact O-OG 2.99Å
708	L	45.4	Very low	42.4	Very low	24 Å²	24	41.8 Å²	41.8	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-68.9	-43.5	177	-133.2	170.7	0	0	0	111.1	G622 I625 A704 Q706 S711 L712	G622-L708 VanDerWaalsContact CA-CD1 3.41Å; I625-L708 HydrophobicContact CD1-CG 4.32Å; A704-L708 PolarHBondContact O-N 2.87Å; Q706-L708 PolarHBondContact O-N 2.97Å; L708-S711 VanDerWaalsContact CA-OG 3.27Å; L708-S711 WeakPolarHBondContact CA-OG 3.28Å; L708-S711 PolarHBondContact O-N 3.03Å; L708-S711 PolarHBondContact O-OG 3.27Å; L708-L712 HydrophobicContact CD2-CD1 3.68Å; L708-L712 HydrophobicContact CD2-CG 3.99Å; L708-L712 WeakPolarHBondContact O-CB 3.06Å; L708-L712 VanDerWaalsContact O-CG 3.3Å; L708-L712 WeakPolarHBondContact O-CG 3.44Å; L708-L712 PolarHBondContact O-N 3.46Å
709	C	45.2	Very low	41.9	Very low	17 Å²	17	42.6 Å²	42.6	12%	0.115	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-46.1	173.2	-73.5	0	0	0	0	111.8	E705 Q706 S711 L712 W713 F733	E705-C709 WeakPolarHBondContact O-CB 3.29Å; E705-C709 PolarHBondContact O-N 2.73Å; E705-C709 VanDerWaalsContact O-N 3.07Å; E705-C709 PolarHBondContact O-SG 3.44Å; Q706-C709 PolarHBondContact O-N 3.16Å; C709-S711 VanDerWaalsContact C-N 3.32Å; C709-S711 PolarHBondContact O-N 3.42Å; C709-L712 PolarHBondContact O-N 2.98Å; C709-W713 WeakPolarHBondContact O-CB 3.35Å; C709-W713 PolarHBondContact O-N 3.31Å; C709-F733 HydrophobicContact CB-CE2 4.37Å
710	I	42.9	Very low	41.6	Very low	22 Å²	22	46.4 Å²	46.4	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-39.6	178.1	-70.7	163.5	0	0	0	110.8	Q706 W713 S714 Y762	Q706-I710 HydrophobicContact CB-CD1 4.36Å; Q706-I710 VanDerWaalsContact O-CB 3.23Å; Q706-I710 WeakPolarHBondContact O-CB 3.36Å; Q706-I710 VanDerWaalsContact O-CD1 3.32Å; Q706-I710 WeakPolarHBondContact O-CD1 3.16Å; Q706-I710 WeakPolarHBondContact O-CG1 3.4Å; Q706-I710 PolarHBondContact O-N 3.26Å; I710-W713 PolarHBondContact O-N 2.98Å; I710-S714 VanDerWaalsContact O-CB 3.27Å; I710-S714 WeakPolarHBondContact O-CB 3.44Å; I710-S714 PolarHBondContact O-N 3.33Å; I710-S714 PolarHBondContact O-OG 2.99Å; I710-Y762 HydrophobicContact CD1-CE2 3.92Å
711	S	43.3	Very low	41.7	Very low	7 Å²	7	44.8 Å²	44.8	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-48.8	178.4	48	0	0	0	0	112.8	W661 A707 L708 C709 W713 S714 L715	W661-S711 VanDerWaalsContact CH2-CB 3.41Å; A707-S711 VanDerWaalsContact O-CB 3.26Å; A707-S711 WeakPolarHBondContact O-CB 3.25Å; A707-S711 PolarHBondContact O-N 3.4Å; A707-S711 PolarHBondContact O-OG 2.99Å; L708-S711 VanDerWaalsContact CA-OG 3.27Å; L708-S711 WeakPolarHBondContact CA-OG 3.28Å; L708-S711 PolarHBondContact O-N 3.03Å; L708-S711 PolarHBondContact O-OG 3.27Å; C709-S711 VanDerWaalsContact C-N 3.32Å; C709-S711 PolarHBondContact O-N 3.42Å; S711-W713 PolarHBondContact O-N 3.39Å; S711-S714 PolarHBondContact O-N 3.32Å; S711-S714 PolarHBondContact O-OG 3.16Å; S711-L715 WeakPolarHBondContact O-CD1 3.24Å; S711-L715 WeakPolarHBondContact O-CG 3.38Å; S711-L715 PolarHBondContact O-N 2.72Å; S711-L715 VanDerWaalsContact O-N 3.14Å
712	L	45.6	Very low	41.3	Very low	43 Å²	43	45.6 Å²	45.6	23%	0.225	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-38.8	172.8	-70	172.1	0	0	0	111.3	I687 L708 C709 L715	I687-L712 HydrophobicContact CG2-CD1 4.31Å; L708-L712 HydrophobicContact CD2-CD1 3.68Å; L708-L712 HydrophobicContact CD2-CG 3.99Å; L708-L712 WeakPolarHBondContact O-CB 3.06Å; L708-L712 VanDerWaalsContact O-CG 3.3Å; L708-L712 WeakPolarHBondContact O-CG 3.44Å; L708-L712 PolarHBondContact O-N 3.46Å; C709-L712 PolarHBondContact O-N 2.98Å; L712-L715 WeakPolarHBondContact O-CB 3.39Å; L712-L715 PolarHBondContact O-N 3.33Å
713	W	42.4	Very low	41.3	Very low	31 Å²	31	54.1 Å²	54.1	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-72.9	-39	179.6	-157.6	56.9	0	0	0	113.6	C709 I710 S711 L715 E716 C717 F733 F765 L773	C709-W713 WeakPolarHBondContact O-CB 3.35Å; C709-W713 PolarHBondContact O-N 3.31Å; I710-W713 PolarHBondContact O-N 2.98Å; S711-W713 PolarHBondContact O-N 3.39Å; W713-L715 PolarHBondContact O-N 2.83Å; W713-E716 PolarHBondContact O-N 3.34Å; W713-C717 PolarHBondContact O-N 3.46Å; W713-C717 PolarHBondContact O-SG 3.15Å; W713-F733 HydrophobicContact CG-CD2 4.39Å; W713-F765 HydrophobicContact CE3-CE1 4.29Å; W713-F765 AromaticContact CE3-CZ 3.66Å; W713-F765 HydrophobicContact CE3-CZ 3.66Å; W713-F765 HydrophobicContact CH2-CE1 4.1Å; W713-F765 HydrophobicContact CH2-CZ 4.23Å; W713-F765 AromaticContact CZ3-CE1 3.56Å; W713-F765 HydrophobicContact CZ3-CE1 3.56Å; W713-F765 HydrophobicContact CZ3-CE2 4.43Å; W713-F765 AromaticContact CZ3-CZ 3.26Å; W713-F765 HydrophobicContact CZ3-CZ 3.26Å; W713-L773 HydrophobicContact CH2-CD1 4.21Å; W713-L773 HydrophobicContact CH2-CD2 4Å; W713-L773 HydrophobicContact CH2-CG 4.41Å
714	S	43.5	Very low	40.8	Very low	55 Å²	55	61.7 Å²	61.7	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-28	175.2	75.2	0	0	0	0	112.9	I710 S711	I710-S714 VanDerWaalsContact O-CB 3.27Å; I710-S714 WeakPolarHBondContact O-CB 3.44Å; I710-S714 PolarHBondContact O-N 3.33Å; I710-S714 PolarHBondContact O-OG 2.99Å; S711-S714 PolarHBondContact O-N 3.32Å; S711-S714 PolarHBondContact O-OG 3.16Å
715	L	41.3	Very low	40.5	Very low	18 Å²	18	63.8 Å²	63.8	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-44.9	179.5	-75.2	165.8	0	0	0	112	K665 S711 L712 W713 T718	K665-L715 HydrophobicContact CB-CD2 3.26Å; K665-L715 HydrophobicContact CD-CD2 3.95Å; K665-L715 HydrophobicContact CG-CD2 3.37Å; S711-L715 WeakPolarHBondContact O-CD1 3.24Å; S711-L715 WeakPolarHBondContact O-CG 3.38Å; S711-L715 PolarHBondContact O-N 2.72Å; S711-L715 VanDerWaalsContact O-N 3.14Å; L712-L715 WeakPolarHBondContact O-CB 3.39Å; L712-L715 PolarHBondContact O-N 3.33Å; W713-L715 PolarHBondContact O-N 2.83Å; L715-T718 PolarHBondContact O-OG1 2.96Å
716	E	41.6	Very low	40.4	Very low	62 Å²	62	66.7 Å²	66.7	29%	0.29	37%	0.371	S	S	.	.	H	α-helix	trans	-76.6	-34.4	-179.4	-78.5	-174.1	133.3	0	0	113.5	W713 T718 C719 I729	W713-E716 PolarHBondContact O-N 3.34Å; E716-T718 PolarHBondContact O-N 3.07Å; E716-C719 WeakPolarHBondContact O-CB 3.44Å; E716-C719 PolarHBondContact O-N 3.32Å; E716-I729 HydrophobicContact CB-CD1 4.38Å; E716-I729 HydrophobicContact CG-CD1 4.41Å; E716-I729 WeakPolarHBondContact OE1-CD1 3.38Å; E716-I729 WeakPolarHBondContact OE2-CD1 3.41Å; E716-I729 WeakPolarHBondContact OE2-CG1 3.42Å; E716-I729 VanDerWaalsContact OE2-CG2 3.28Å; E716-I729 WeakPolarHBondContact OE2-CG2 3.43Å
717	C	36	Very low	40.2	Very low	49 Å²	49	70.2 Å²	70.2	33%	0.331	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.4	-176	-73.9	0	0	0	0	114.4	W713 L769	W713-C717 PolarHBondContact O-N 3.46Å; W713-C717 PolarHBondContact O-SG 3.15Å; C717-L769 HydrophobicContact CB-CD1 3.91Å
718	T	33.5	Very low	40.1	Very low	67 Å²	67	71 Å²	71	41%	0.411	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-3.1	175	59.7	0	0	0	0	114.1	K665 L715 E716 S720	K665-T718 WeakPolarHBondContact CE-OG1 3.31Å; K665-T718 PolarHBondContact NZ-OG1 3.35Å; L715-T718 PolarHBondContact O-OG1 2.96Å; E716-T718 PolarHBondContact O-N 3.07Å; T718-S720 PolarHBondContact O-N 2.66Å
719	C	36.5	Very low	39.9	Very low	70 Å²	70	70.9 Å²	70.9	47%	0.473	39%	0.39	S	S	.	.			trans	-77.2	74.7	169.5	-68.4	0	0	0	0	109.7	E716 S721	E716-C719 WeakPolarHBondContact O-CB 3.44Å; E716-C719 PolarHBondContact O-N 3.32Å; C719-S721 PolarHBondContact O-N 2.97Å
720	S	38.9	Very low	39.7	Very low	121 Å²	121	73 Å²	73	85%	0.846	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	11.3	-170.5	54.4	0	0	0	0	116.5	T718	T718-S720 PolarHBondContact O-N 2.66Å
721	S	41.7	Very low	39.7	Very low	108 Å²	108	78 Å²	78	76%	0.755	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-3.7	-171.7	58.9	0	0	0	0	116.8	C719	C719-S721 PolarHBondContact O-N 2.97Å
722	T	35.8	Very low	39.7	Very low	64 Å²	64	79.2 Å²	79.2	39%	0.393	43%	0.428	S	S	.	.			trans	-136.1	87.9	-175.8	40.2	0	0	0	0	112.8	K724 L725	T722-K724 PolarHBondContact O-N 3.11Å; T722-L725 PolarHBondContact O-N 3.37Å; T722-L725 WeakPolarHBondContact OG1-CD1 3.14Å
723	R	36.5	Very low	39.7	Very low	254 Å²	254	78.7 Å²	78.7	96%	0.958	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-9.5	175.2	-77.9	-175.1	177.2	-179.4	-1.1	115.5
724	K	36	Very low	39.8	Very low	200 Å²	200	82.1 Å²	82.1	87%	0.87	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-4	179.9	-73.3	-172.4	175.7	-176.4	0	115	T722	T722-K724 PolarHBondContact O-N 3.11Å
725	L	37.6	Very low	39.8	Very low	46 Å²	46	81.9 Å²	81.9	24%	0.241	44%	0.435	C	S	.	.	S	Bend	trans	-90.4	-16.5	-177.5	-91	145.2	0	0	0	114.8	F677 T722 E727 P728 I729	F677-L725 HydrophobicContact CE1-CD1 4.28Å; F677-L725 HydrophobicContact CE1-CG 4.45Å; F677-L725 HydrophobicContact CZ-CD1 4.27Å; T722-L725 PolarHBondContact O-N 3.37Å; T722-L725 WeakPolarHBondContact OG1-CD1 3.14Å; L725-E727 VanDerWaalsContact C-N 3.3Å; L725-E727 PolarHBondContact O-N 3.45Å; L725-P728 WeakPolarHBondContact O-CD 3.36Å; L725-I729 HydrophobicContact CB-CD1 3.92Å; L725-I729 HydrophobicContact CD2-CD1 3.99Å; L725-I729 WeakPolarHBondContact O-CD1 3.33Å; L725-I729 WeakPolarHBondContact O-CG1 3.36Å
726	A	39.4	Very low	39.9	Very low	72 Å²	72	81.7 Å²	81.7	60%	0.595	44%	0.436	S	S	*	.	H	α-helix	trans	-65.4	-26.5	-171.1	0	0	0	0	0	115	S730	A726-S730 WeakPolarHBondContact O-CB 3.35Å; A726-S730 PolarHBondContact O-N 3.24Å; A726-S730 PolarHBondContact O-OG 3.2Å
727	E	36.7	Very low	40	Very low	123 Å²	123	79.3 Å²	79.3	58%	0.575	43%	0.425	S	S	*	.	H	α-helix	trans	-80.4	-49.7	-173	-143.8	179.2	178.5	0	0	114	L725 S730 R731	L725-E727 VanDerWaalsContact C-N 3.3Å; L725-E727 PolarHBondContact O-N 3.45Å; E727-S730 PolarHBondContact O-OG 3.38Å; E727-R731 PolarHBondContact O-N 3.33Å
728	P	41.8	Very low	40.4	Very low	37 Å²	37	78.2 Å²	78.2	24%	0.24	42%	0.418	C	S	.	.	H	α-helix	trans	-63.6	-41	173	22.5	-31.8	0	0	0	111.8	L725 S730 R731 I732	L725-P728 WeakPolarHBondContact O-CD 3.36Å; P728-S730 PolarHBondContact O-N 3.25Å; P728-R731 CarbonylContact O-C 3.59Å; P728-R731 WeakPolarHBondContact O-CA 3.39Å; P728-R731 VanDerWaalsContact O-CB 3.31Å; P728-R731 WeakPolarHBondContact O-CB 3.31Å; P728-R731 PolarHBondContact O-N 3.18Å; P728-I732 WeakPolarHBondContact O-CG1 3.39Å; P728-I732 PolarHBondContact O-N 2.71Å
729	I	40.7	Very low	40.9	Very low	23 Å²	23	81 Å²	81	12%	0.118	42%	0.422	C	S	.	.	H	α-helix	trans	-66.1	-39.7	-178.2	-61.6	163.9	0	0	0	112.2	E716 L725 R731 I732 F733	E716-I729 HydrophobicContact CB-CD1 4.38Å; E716-I729 HydrophobicContact CG-CD1 4.41Å; E716-I729 WeakPolarHBondContact OE1-CD1 3.38Å; E716-I729 WeakPolarHBondContact OE2-CD1 3.41Å; E716-I729 WeakPolarHBondContact OE2-CG1 3.42Å; E716-I729 VanDerWaalsContact OE2-CG2 3.28Å; E716-I729 WeakPolarHBondContact OE2-CG2 3.43Å; L725-I729 HydrophobicContact CB-CD1 3.92Å; L725-I729 HydrophobicContact CD2-CD1 3.99Å; L725-I729 WeakPolarHBondContact O-CD1 3.33Å; L725-I729 WeakPolarHBondContact O-CG1 3.36Å; I729-R731 VanDerWaalsContact C-N 3.27Å; I729-R731 PolarHBondContact O-N 2.89Å; I729-I732 PolarHBondContact O-N 3.42Å; I729-F733 WeakPolarHBondContact O-CB 3.35Å; I729-F733 PolarHBondContact O-N 3.06Å
730	S	42.1	Very low	41.2	Very low	61 Å²	61	78.7 Å²	78.7	43%	0.427	41%	0.405	S	S	.	.	H	α-helix	trans	-64.8	-33	173.7	60.8	0	0	0	0	111.7	A726 E727 P728 W734	A726-S730 WeakPolarHBondContact O-CB 3.35Å; A726-S730 PolarHBondContact O-N 3.24Å; A726-S730 PolarHBondContact O-OG 3.2Å; E727-S730 PolarHBondContact O-OG 3.38Å; P728-S730 PolarHBondContact O-N 3.25Å; S730-W734 WeakPolarHBondContact O-CB 3.3Å; S730-W734 PolarHBondContact O-N 3.04Å
731	R	41.8	Very low	41.4	Very low	128 Å²	128	75 Å²	75	48%	0.483	38%	0.376	S	S	.	.	H	α-helix	trans	-66.5	-40.3	169.9	-71.8	-176.7	-173.9	164.2	10.6	112.8	E727 P728 I729 W734 S735	E727-R731 PolarHBondContact O-N 3.33Å; P728-R731 CarbonylContact O-C 3.59Å; P728-R731 WeakPolarHBondContact O-CA 3.39Å; P728-R731 VanDerWaalsContact O-CB 3.31Å; P728-R731 WeakPolarHBondContact O-CB 3.31Å; P728-R731 PolarHBondContact O-N 3.18Å; I729-R731 VanDerWaalsContact C-N 3.27Å; I729-R731 PolarHBondContact O-N 2.89Å; R731-W734 PolarHBondContact O-N 2.89Å; R731-S735 WeakPolarHBondContact O-CB 3.44Å; R731-S735 PolarHBondContact O-N 2.73Å; R731-S735 PolarHBondContact O-OG 3.28Å
732	I	44	Very low	41.6	Very low	32 Å²	32	77.1 Å²	77.1	16%	0.164	38%	0.378	C	S	.	.	H	α-helix	trans	-62.6	-50.7	176	-60.7	171.5	0	0	0	109.5	E684 P728 I729 W734 S735 A736	E684-I732 HydrophobicContact CG-CD1 3.3Å; E684-I732 HydrophobicContact CG-CG1 3.5Å; E684-I732 VanDerWaalsContact CG-CG1 3.5Å; E684-I732 WeakPolarHBondContact OE1-CD1 3.34Å; E684-I732 VanDerWaalsContact OE1-CG1 3.25Å; E684-I732 WeakPolarHBondContact OE1-CG1 3.49Å; P728-I732 WeakPolarHBondContact O-CG1 3.39Å; P728-I732 PolarHBondContact O-N 2.71Å; I729-I732 PolarHBondContact O-N 3.42Å; I732-W734 PolarHBondContact O-N 3.2Å; I732-S735 WeakPolarHBondContact CA-OG 3.37Å; I732-S735 PolarHBondContact O-N 2.91Å; I732-S735 PolarHBondContact O-OG 3.23Å; I732-A736 VanDerWaalsContact O-CB 3.25Å; I732-A736 WeakPolarHBondContact O-CB 3.43Å; I732-A736 PolarHBondContact O-N 3.24Å
733	F	44.8	Very low	42	Very low	32 Å²	32	75.3 Å²	75.3	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-44.3	178	-175.1	-106.8	0	0	0	111.8	C709 W713 I729 A736 L737	C709-F733 HydrophobicContact CB-CE2 4.37Å; W713-F733 HydrophobicContact CG-CD2 4.39Å; I729-F733 WeakPolarHBondContact O-CB 3.35Å; I729-F733 PolarHBondContact O-N 3.06Å; F733-A736 PolarHBondContact O-N 3.21Å; F733-L737 HydrophobicContact CD1-CD1 3.59Å; F733-L737 HydrophobicContact CD1-CG 4.28Å; F733-L737 HydrophobicContact CE1-CD1 3.2Å; F733-L737 HydrophobicContact CE1-CG 4.03Å; F733-L737 HydrophobicContact CE2-CD1 4.45Å; F733-L737 HydrophobicContact CE2-CG 4.46Å; F733-L737 HydrophobicContact CG-CD1 4.38Å; F733-L737 HydrophobicContact CZ-CD1 3.68Å; F733-L737 HydrophobicContact CZ-CD2 4.35Å; F733-L737 HydrophobicContact CZ-CG 4.1Å; F733-L737 VanDerWaalsContact O-CB 3.32Å; F733-L737 WeakPolarHBondContact O-CB 3.41Å; F733-L737 VanDerWaalsContact O-CG 3.26Å; F733-L737 WeakPolarHBondContact O-CG 3.44Å; F733-L737 PolarHBondContact O-N 3.33Å
734	W	45.4	Very low	42.5	Very low	103 Å²	103	69.6 Å²	69.6	39%	0.39	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-44.2	176.6	-173	-103.4	0	0	0	112.4	S730 R731 I732 A736 L737 C738 L747 F777	S730-W734 WeakPolarHBondContact O-CB 3.3Å; S730-W734 PolarHBondContact O-N 3.04Å; R731-W734 PolarHBondContact O-N 2.89Å; I732-W734 PolarHBondContact O-N 3.2Å; W734-A736 PolarHBondContact O-N 3.14Å; W734-L737 PolarHBondContact O-N 3.45Å; W734-C738 PolarHBondContact NE1-SG 3.46Å; W734-C738 VanDerWaalsContact NE1-SG 3.42Å; W734-C738 VanDerWaalsContact O-CB 3.3Å; W734-C738 WeakPolarHBondContact O-CB 3.47Å; W734-C738 PolarHBondContact O-N 3.49Å; W734-C738 PolarHBondContact O-SG 3.08Å; W734-L747 HydrophobicContact CE3-CD1 4.45Å; W734-L747 HydrophobicContact CH2-CD1 3.64Å; W734-L747 HydrophobicContact CZ2-CD1 4.49Å; W734-L747 HydrophobicContact CZ3-CD1 3.59Å; W734-F777 HydrophobicContact CE3-CE1 4.28Å; W734-F777 HydrophobicContact CH2-CE1 4.42Å; W734-F777 AromaticContact CZ3-CE1 3.65Å; W734-F777 HydrophobicContact CZ3-CE1 3.65Å; W734-F777 HydrophobicContact CZ3-CZ 4.27Å
735	S	43.4	Very low	43	Very low	50 Å²	50	68.2 Å²	68.2	35%	0.35	36%	0.36	S	S	.	.	H	α-helix	trans	-64.9	-40.1	177.8	68.9	0	0	0	0	111.7	R731 I732 Y739	R731-S735 WeakPolarHBondContact O-CB 3.44Å; R731-S735 PolarHBondContact O-N 2.73Å; R731-S735 PolarHBondContact O-OG 3.28Å; I732-S735 WeakPolarHBondContact CA-OG 3.37Å; I732-S735 PolarHBondContact O-N 2.91Å; I732-S735 PolarHBondContact O-OG 3.23Å; S735-Y739 WeakPolarHBondContact O-CB 3.24Å; S735-Y739 PolarHBondContact O-N 2.98Å
736	A	44	Very low	43.1	Very low	13 Å²	13	74.5 Å²	74.5	11%	0.107	39%	0.386	C	S	.	.	H	α-helix	trans	-63.6	-49.4	172.3	0	0	0	0	0	110.2	I732 F733 W734 C738 Y739 L740	I732-A736 VanDerWaalsContact O-CB 3.25Å; I732-A736 WeakPolarHBondContact O-CB 3.43Å; I732-A736 PolarHBondContact O-N 3.24Å; F733-A736 PolarHBondContact O-N 3.21Å; W734-A736 PolarHBondContact O-N 3.14Å; A736-C738 PolarHBondContact O-N 3.27Å; A736-Y739 PolarHBondContact O-N 2.85Å; A736-L740 VanDerWaalsContact O-CB 3.31Å; A736-L740 WeakPolarHBondContact O-CB 3.33Å; A736-L740 WeakPolarHBondContact O-CG 3.39Å; A736-L740 PolarHBondContact O-N 3.44Å
737	L	43.7	Very low	43.1	Very low	13 Å²	13	72.2 Å²	72.2	7%	0.068	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-45	175.8	-79	177	0	0	0	113.3	F733 W734 Y739 L740 N741 W755	F733-L737 HydrophobicContact CD1-CD1 3.59Å; F733-L737 HydrophobicContact CD1-CG 4.28Å; F733-L737 HydrophobicContact CE1-CD1 3.2Å; F733-L737 HydrophobicContact CE1-CG 4.03Å; F733-L737 HydrophobicContact CE2-CD1 4.45Å; F733-L737 HydrophobicContact CE2-CG 4.46Å; F733-L737 HydrophobicContact CG-CD1 4.38Å; F733-L737 HydrophobicContact CZ-CD1 3.68Å; F733-L737 HydrophobicContact CZ-CD2 4.35Å; F733-L737 HydrophobicContact CZ-CG 4.1Å; F733-L737 VanDerWaalsContact O-CB 3.32Å; F733-L737 WeakPolarHBondContact O-CB 3.41Å; F733-L737 VanDerWaalsContact O-CG 3.26Å; F733-L737 WeakPolarHBondContact O-CG 3.44Å; F733-L737 PolarHBondContact O-N 3.33Å; W734-L737 PolarHBondContact O-N 3.45Å; L737-Y739 VanDerWaalsContact C-N 3.34Å; L737-L740 PolarHBondContact O-N 3.44Å; L737-N741 WeakPolarHBondContact O-CB 3.39Å; L737-N741 PolarHBondContact O-N 2.9Å; L737-N741 PolarHBondContact O-ND2 3.41Å; L737-W755 HydrophobicContact CD2-CH2 3.33Å; L737-W755 HydrophobicContact CD2-CZ2 3.3Å; L737-W755 HydrophobicContact CD2-CZ3 4.17Å
738	C	43	Very low	43.4	Very low	26 Å²	26	73 Å²	73	18%	0.176	37%	0.366	C	S	.	.	H	α-helix	trans	-63.1	-41.6	176.6	-76.6	0	0	0	0	111.4	W734 A736 N742 A743	W734-C738 PolarHBondContact NE1-SG 3.46Å; W734-C738 VanDerWaalsContact NE1-SG 3.42Å; W734-C738 VanDerWaalsContact O-CB 3.3Å; W734-C738 WeakPolarHBondContact O-CB 3.47Å; W734-C738 PolarHBondContact O-N 3.49Å; W734-C738 PolarHBondContact O-SG 3.08Å; A736-C738 PolarHBondContact O-N 3.27Å; C738-N742 PolarHBondContact O-N 2.92Å; C738-A743 PolarHBondContact O-N 3.29Å; C738-A743 VanDerWaalsContact O-N 3.14Å
739	Y	44.7	Very low	43.3	Very low	126 Å²	126	77.6 Å²	77.6	49%	0.494	39%	0.389	S	S	.	.	H	α-helix	trans	-66	-47.2	176.6	-176.8	-94.8	0	0	0	111.6	T692 I695 S735 A736 L737 N741 N742	T692-Y739 HydrophobicContact CG2-CE1 4.23Å; I695-Y739 HydrophobicContact CD1-CE1 3.87Å; S735-Y739 WeakPolarHBondContact O-CB 3.24Å; S735-Y739 PolarHBondContact O-N 2.98Å; A736-Y739 PolarHBondContact O-N 2.85Å; L737-Y739 VanDerWaalsContact C-N 3.34Å; Y739-N741 PolarHBondContact O-N 3.41Å; Y739-N742 PolarHBondContact O-N 2.84Å
740	L	42	Very low	43.3	Very low	21 Å²	21	80.4 Å²	80.4	11%	0.11	42%	0.416	C	S	.	.	H	α-helix	trans	-65.3	-37.1	-179.7	-66.9	174.7	0	0	0	112.4	I691 I695 E705 A736 L737 N742	I691-L740 HydrophobicContact CG2-CD2 4.44Å; I695-L740 HydrophobicContact CD1-CD2 4.14Å; E705-L740 HydrophobicContact CB-CD1 3.8Å; E705-L740 HydrophobicContact CB-CD2 3.8Å; E705-L740 HydrophobicContact CB-CG 4.39Å; E705-L740 HydrophobicContact CG-CD2 3.73Å; E705-L740 WeakPolarHBondContact OE2-CD2 3.22Å; A736-L740 VanDerWaalsContact O-CB 3.31Å; A736-L740 WeakPolarHBondContact O-CB 3.33Å; A736-L740 WeakPolarHBondContact O-CG 3.39Å; A736-L740 PolarHBondContact O-N 3.44Å; L737-L740 PolarHBondContact O-N 3.44Å; L740-N742 VanDerWaalsContact C-N 3.34Å
741	N	44.8	Very low	43.3	Very low	44 Å²	44	82.2 Å²	82.2	24%	0.235	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	5	178.4	-71.2	-40.2	0	0	0	114.1	L737 Y739 A743	L737-N741 WeakPolarHBondContact O-CB 3.39Å; L737-N741 PolarHBondContact O-N 2.9Å; L737-N741 PolarHBondContact O-ND2 3.41Å; Y739-N741 PolarHBondContact O-N 3.41Å; N741-A743 HydrophobicContact CB-CB 4.21Å; N741-A743 PolarHBondContact O-N 3.01Å
742	N	46.3	Very low	43.2	Very low	151 Å²	151	78.2 Å²	78.2	81%	0.807	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	26.1	-173.6	-78.8	-33.9	0	0	0	113.6	C738 Y739 L740	C738-N742 PolarHBondContact O-N 2.92Å; Y739-N742 PolarHBondContact O-N 2.84Å; L740-N742 VanDerWaalsContact C-N 3.34Å
743	A	43.3	Very low	43	Very low	26 Å²	26	81.5 Å²	81.5	22%	0.215	42%	0.42	C	S	.	.			trans	-111.9	105.1	-172.2	0	0	0	0	0	108.6	C738 N741 E745	C738-A743 PolarHBondContact O-N 3.29Å; C738-A743 VanDerWaalsContact O-N 3.14Å; N741-A743 HydrophobicContact CB-CB 4.21Å; N741-A743 PolarHBondContact O-N 3.01Å; A743-E745 PolarHBondContact O-N 2.93Å
744	T	46.8	Very low	42.8	Very low	135 Å²	135	81.6 Å²	81.6	83%	0.828	43%	0.43	S	S	*	.	S	Bend	trans	-75.2	-21.3	-172.9	45.5	0	0	0	0	114.3
745	E	46.5	Very low	42.5	Very low	170 Å²	170	78.7 Å²	78.7	79%	0.794	42%	0.419	S	S	*	.	S	Bend	trans	-146.9	-14.5	-175.8	-69.5	-172.3	164.6	0	0	118.4	A743	A743-E745 PolarHBondContact O-N 2.93Å
746	K	39.7	Very low	42.2	Very low	179 Å²	179	82.7 Å²	82.7	78%	0.778	43%	0.427	S	S	*	.			trans	-148.6	111.2	-179.3	-65.3	-177.5	-177.3	171	0	112.5
747	L	40.2	Very low	42	Very low	24 Å²	24	86.6 Å²	86.6	13%	0.126	45%	0.446	C	S	.	.			trans	-72.9	132.2	160.9	-86.1	147.2	0	0	0	108.3	W734 E751 L752	W734-L747 HydrophobicContact CE3-CD1 4.45Å; W734-L747 HydrophobicContact CH2-CD1 3.64Å; W734-L747 HydrophobicContact CZ2-CD1 4.49Å; W734-L747 HydrophobicContact CZ3-CD1 3.59Å; L747-E751 HydrophobicContact CD2-CB 4.45Å; L747-L752 HydrophobicContact CB-CD1 4.46Å
748	H	42.4	Very low	41.8	Very low	139 Å²	139	89 Å²	89	64%	0.644	46%	0.463	S	S	*	.			trans	-74.6	144.1	177.1	-85.4	-64.8	0	0	0	110.9	A750 E751 L752	H748-A750 PolarHBondContact O-N 3.01Å; H748-E751 WeakPolarHBondContact O-CB 3.33Å; H748-E751 PolarHBondContact O-N 3.39Å; H748-L752 PolarHBondContact O-N 3.36Å
749	D	39.7	Very low	41.5	Very low	134 Å²	134	89.1 Å²	89.1	72%	0.717	46%	0.461	S	S	*	.	H	α-helix	trans	-53.1	-32.4	-178.3	-71.1	-32.9	0	0	0	113.5	L752 E753	D749-L752 WeakPolarHBondContact O-CB 3.49Å; D749-L752 PolarHBondContact O-N 3.01Å; D749-E753 PolarHBondContact O-N 3.26Å
750	A	41.4	Very low	41.1	Very low	82 Å²	82	86.6 Å²	86.6	68%	0.678	47%	0.467	S	S	*	.	H	α-helix	trans	-67.1	-34.8	177.4	0	0	0	0	0	113.3	H748 E753 G754	H748-A750 PolarHBondContact O-N 3.01Å; A750-E753 PolarHBondContact O-N 2.96Å; A750-G754 PolarHBondContact O-N 3.22Å; A750-G754 VanDerWaalsContact O-N 3.12Å
751	E	40.9	Very low	40.7	Very low	98 Å²	98	92.2 Å²	92.2	46%	0.458	50%	0.497	S	S	.	.	H	α-helix	trans	-71.9	-41.7	175.6	-65.5	172.8	158.7	0	0	109.6	L747 H748 E753 G754 W755	L747-E751 HydrophobicContact CD2-CB 4.45Å; H748-E751 WeakPolarHBondContact O-CB 3.33Å; H748-E751 PolarHBondContact O-N 3.39Å; E751-E753 VanDerWaalsContact C-N 3.31Å; E751-E753 PolarHBondContact O-N 2.99Å; E751-G754 CarbonylContact O-C 3.58Å; E751-G754 WeakPolarHBondContact O-CA 3.35Å; E751-G754 PolarHBondContact O-N 3.18Å; E751-G754 VanDerWaalsContact O-N 3.07Å; E751-W755 PolarHBondContact O-N 2.92Å
752	L	40.3	Very low	40.4	Very low	44 Å²	44	94 Å²	94	23%	0.23	50%	0.501	C	S	.	.	H	α-helix	trans	-57.8	-38.8	172.2	-87.1	156.6	0	0	0	112.7	L747 H748 D749 W755 R756 F777	L747-L752 HydrophobicContact CB-CD1 4.46Å; H748-L752 PolarHBondContact O-N 3.36Å; D749-L752 WeakPolarHBondContact O-CB 3.49Å; D749-L752 PolarHBondContact O-N 3.01Å; L752-W755 WeakPolarHBondContact O-CB 3.39Å; L752-W755 PolarHBondContact O-N 3.42Å; L752-R756 PolarHBondContact O-N 3.32Å; L752-F777 HydrophobicContact CD2-CD1 4.09Å; L752-F777 HydrophobicContact CD2-CE1 4.2Å; L752-F777 HydrophobicContact CD2-CG 4.38Å
753	E	39.5	Very low	39.8	Very low	101 Å²	101	91.4 Å²	91.4	47%	0.472	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-38.1	173.9	-151.7	78.3	-141.4	0	0	111.5	D749 A750 E751 W755 R756 N757	D749-E753 PolarHBondContact O-N 3.26Å; A750-E753 PolarHBondContact O-N 2.96Å; E751-E753 VanDerWaalsContact C-N 3.31Å; E751-E753 PolarHBondContact O-N 2.99Å; E753-W755 VanDerWaalsContact C-N 3.35Å; E753-R756 WeakPolarHBondContact O-CB 3.43Å; E753-R756 PolarHBondContact O-N 2.61Å; E753-N757 PolarHBondContact O-N 3.14Å; E753-N757 PolarHBondContact O-ND2 3.21Å
754	G	40.7	Very low	39.3	Very low	35 Å²	35	97.5 Å²	97.5	36%	0.361	53%	0.528	S	S	.	.	H	α-helix	trans	-61.4	-40.4	171.4	0	0	0	0	0	112.9	A750 E751 N757 C758	A750-G754 PolarHBondContact O-N 3.22Å; A750-G754 VanDerWaalsContact O-N 3.12Å; E751-G754 CarbonylContact O-C 3.58Å; E751-G754 WeakPolarHBondContact O-CA 3.35Å; E751-G754 PolarHBondContact O-N 3.18Å; E751-G754 VanDerWaalsContact O-N 3.07Å; G754-N757 PolarHBondContact O-N 2.93Å; G754-C758 PolarHBondContact O-N 2.75Å; G754-C758 PolarHBondContact O-SG 3.45Å
755	W	39.7	Very low	38.8	Very low	41 Å²	41	93.8 Å²	93.8	16%	0.155	50%	0.5	C	S	.	.	H	α-helix	trans	-66.3	-41.7	172.3	-80.9	98.6	0	0	0	112.4	Q706 L737 E751 L752 E753 N757 C758 L759	Q706-W755 HydrophobicContact CB-CH2 4.47Å; Q706-W755 HydrophobicContact CG-CH2 3.67Å; Q706-W755 HydrophobicContact CG-CZ2 4.16Å; Q706-W755 HydrophobicContact CG-CZ3 4.44Å; L737-W755 HydrophobicContact CD2-CH2 3.33Å; L737-W755 HydrophobicContact CD2-CZ2 3.3Å; L737-W755 HydrophobicContact CD2-CZ3 4.17Å; E751-W755 PolarHBondContact O-N 2.92Å; L752-W755 WeakPolarHBondContact O-CB 3.39Å; L752-W755 PolarHBondContact O-N 3.42Å; E753-W755 VanDerWaalsContact C-N 3.35Å; W755-N757 VanDerWaalsContact C-N 3.31Å; W755-N757 PolarHBondContact O-N 3.31Å; W755-C758 PolarHBondContact O-N 3.11Å; W755-L759 WeakPolarHBondContact O-CB 3.34Å; W755-L759 VanDerWaalsContact O-CG 3.28Å; W755-L759 WeakPolarHBondContact O-CG 3.3Å; W755-L759 PolarHBondContact O-N 2.96Å
756	R	36.5	Very low	38.2	Very low	135 Å²	135	88.7 Å²	88.7	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-56.9	-44.9	172.7	-84.4	179.3	159.2	-156.4	-8.8	111.3	L752 E753 L759 A760	L752-R756 PolarHBondContact O-N 3.32Å; E753-R756 WeakPolarHBondContact O-CB 3.43Å; E753-R756 PolarHBondContact O-N 2.61Å; R756-L759 PolarHBondContact O-N 3.39Å; R756-A760 VanDerWaalsContact O-CB 3.25Å; R756-A760 WeakPolarHBondContact O-CB 3.47Å; R756-A760 PolarHBondContact O-N 3.1Å
757	N	39.3	Very low	38	Very low	95 Å²	95	85.4 Å²	85.4	51%	0.508	48%	0.482	S	S	.	.	H	α-helix	trans	-69	-40	179.2	-70.7	-24.8	0	0	0	112.4	E753 G754 W755 A760 N761	E753-N757 PolarHBondContact O-N 3.14Å; E753-N757 PolarHBondContact O-ND2 3.21Å; G754-N757 PolarHBondContact O-N 2.93Å; W755-N757 VanDerWaalsContact C-N 3.31Å; W755-N757 PolarHBondContact O-N 3.31Å; N757-A760 PolarHBondContact O-N 3.42Å; N757-N761 VanDerWaalsContact O-CG 3.28Å; N757-N761 PolarHBondContact O-N 2.82Å; N757-N761 VanDerWaalsContact O-N 3.14Å; N757-N761 PolarHBondContact O-ND2 3.33Å
758	C	39.2	Very low	37.7	Very low	62 Å²	62	91 Å²	91	42%	0.419	51%	0.511	S	S	.	.	H	α-helix	trans	-61.1	-49.1	172.6	-76.7	0	0	0	0	111.4	G754 W755 A760 N761 Y762	G754-C758 PolarHBondContact O-N 2.75Å; G754-C758 PolarHBondContact O-SG 3.45Å; W755-C758 PolarHBondContact O-N 3.11Å; C758-A760 PolarHBondContact O-N 2.81Å; C758-N761 PolarHBondContact O-N 3.15Å; C758-Y762 WeakPolarHBondContact O-CD2 3.34Å; C758-Y762 WeakPolarHBondContact O-CE2 3.41Å; C758-Y762 PolarHBondContact O-N 3.17Å
759	L	36.6	Very low	37.4	Very low	29 Å²	29	85.7 Å²	85.7	15%	0.152	49%	0.487	C	S	.	.	H	α-helix	trans	-64	-36.7	179.4	-71.6	168.8	0	0	0	112.9	W755 R756 N761 Y762 F765	W755-L759 WeakPolarHBondContact O-CB 3.34Å; W755-L759 VanDerWaalsContact O-CG 3.28Å; W755-L759 WeakPolarHBondContact O-CG 3.3Å; W755-L759 PolarHBondContact O-N 2.96Å; R756-L759 PolarHBondContact O-N 3.39Å; L759-N761 VanDerWaalsContact C-N 3.32Å; L759-N761 PolarHBondContact O-N 3.01Å; L759-Y762 PolarHBondContact O-N 3.29Å; L759-F765 HydrophobicContact CD2-CD2 4.35Å; L759-F765 HydrophobicContact CD2-CE2 3.64Å; L759-F765 HydrophobicContact CD2-CZ 3.99Å
760	A	36.3	Very low	37.3	Very low	73 Å²	73	84.7 Å²	84.7	60%	0.603	48%	0.481	S	S	*	.	H	α-helix	trans	-67	-31.2	175.1	0	0	0	0	0	112.8	R756 N757 C758 Y762	R756-A760 VanDerWaalsContact O-CB 3.25Å; R756-A760 WeakPolarHBondContact O-CB 3.47Å; R756-A760 PolarHBondContact O-N 3.1Å; N757-A760 PolarHBondContact O-N 3.42Å; C758-A760 PolarHBondContact O-N 2.81Å; A760-Y762 VanDerWaalsContact C-N 3.32Å
761	N	35.4	Very low	37.1	Very low	139 Å²	139	84.2 Å²	84.2	74%	0.743	47%	0.471	S	S	*	.	H	α-helix	trans	-73.2	-23	175.8	-73	-19.4	0	0	0	113	N757 C758 L759 A763	N757-N761 VanDerWaalsContact O-CG 3.28Å; N757-N761 PolarHBondContact O-N 2.82Å; N757-N761 VanDerWaalsContact O-N 3.14Å; N757-N761 PolarHBondContact O-ND2 3.33Å; C758-N761 PolarHBondContact O-N 3.15Å; L759-N761 VanDerWaalsContact C-N 3.32Å; L759-N761 PolarHBondContact O-N 3.01Å; N761-A763 VanDerWaalsContact C-N 3.31Å; N761-A763 PolarHBondContact O-N 3.03Å
762	Y	37.7	Very low	36.8	Very low	83 Å²	83	84.6 Å²	84.6	33%	0.325	48%	0.476	S	S	.	.	S	Bend	trans	-75.6	84.6	167.2	-66	-79.6	0	0	0	109.1	I650 I710 C758 L759 A760 I764 F765	I650-Y762 WeakPolarHBondContact CD1-OH 3.41Å; I710-Y762 HydrophobicContact CD1-CE2 3.92Å; C758-Y762 WeakPolarHBondContact O-CD2 3.34Å; C758-Y762 WeakPolarHBondContact O-CE2 3.41Å; C758-Y762 PolarHBondContact O-N 3.17Å; L759-Y762 PolarHBondContact O-N 3.29Å; A760-Y762 VanDerWaalsContact C-N 3.32Å; Y762-I764 PolarHBondContact O-N 3.4Å; Y762-F765 PolarHBondContact O-N 2.92Å
763	A	32.7	Very low	36.6	Very low	96 Å²	96	84.3 Å²	84.3	79%	0.793	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	7.9	-173.5	0	0	0	0	0	116.9	N761	N761-A763 VanDerWaalsContact C-N 3.31Å; N761-A763 PolarHBondContact O-N 3.03Å
764	I	33.4	Very low	36.4	Very low	154 Å²	154	84.1 Å²	84.1	79%	0.79	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	32.8	-180	-39.6	180	0	0	0	110.9	Y762 P766	Y762-I764 PolarHBondContact O-N 3.4Å; I764-P766 WeakPolarHBondContact O-CD 3.4Å
765	F	36.2	Very low	36.3	Very low	57 Å²	57	86.5 Å²	86.5	25%	0.25	48%	0.484	C	S	.	.			trans	-79.1	120.8	161.3	-110.2	-89.3	0	0	0	109.5	W713 L759 Y762 S767 L769	W713-F765 HydrophobicContact CE3-CE1 4.29Å; W713-F765 AromaticContact CE3-CZ 3.66Å; W713-F765 HydrophobicContact CE3-CZ 3.66Å; W713-F765 HydrophobicContact CH2-CE1 4.1Å; W713-F765 HydrophobicContact CH2-CZ 4.23Å; W713-F765 AromaticContact CZ3-CE1 3.56Å; W713-F765 HydrophobicContact CZ3-CE1 3.56Å; W713-F765 HydrophobicContact CZ3-CE2 4.43Å; W713-F765 AromaticContact CZ3-CZ 3.26Å; W713-F765 HydrophobicContact CZ3-CZ 3.26Å; L759-F765 HydrophobicContact CD2-CD2 4.35Å; L759-F765 HydrophobicContact CD2-CE2 3.64Å; L759-F765 HydrophobicContact CD2-CZ 3.99Å; Y762-F765 PolarHBondContact O-N 2.92Å; F765-S767 PolarHBondContact O-N 3.29Å; F765-L769 HydrophobicContact CD1-CB 4.06Å; F765-L769 HydrophobicContact CD1-CD1 4.2Å; F765-L769 HydrophobicContact CE1-CB 4.31Å; F765-L769 HydrophobicContact CE1-CD1 4.04Å
766	P	35.1	Very low	36.2	Very low	63 Å²	63	88.1 Å²	88.1	41%	0.409	51%	0.506	S	S	.	.			trans	-57.7	127.3	173.5	-18.5	29.2	0	0	0	109	I764 L768 L769	I764-P766 WeakPolarHBondContact O-CD 3.4Å; P766-L768 PolarHBondContact O-N 3.25Å; P766-L769 HydrophobicContact CG-CD1 4.37Å; P766-L769 PolarHBondContact O-N 2.96Å
767	S	34.2	Very low	36.2	Very low	110 Å²	110	86.2 Å²	86.2	77%	0.769	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-15.7	177.5	47.6	0	0	0	0	114.7	F765	F765-S767 PolarHBondContact O-N 3.29Å
768	L	34	Very low	35.8	Very low	141 Å²	141	82.8 Å²	82.8	74%	0.738	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.9	173.1	-94.6	144.5	0	0	0	115.4	P766	P766-L768 PolarHBondContact O-N 3.25Å
769	L	36.3	Very low	35.6	Very low	27 Å²	27	86.3 Å²	86.3	14%	0.141	51%	0.511	C	S	.	.	S	Bend	trans	-93.4	-23.4	-176	-92.2	154.3	0	0	0	114.3	C717 F765 P766 L772 L773	C717-L769 HydrophobicContact CB-CD1 3.91Å; F765-L769 HydrophobicContact CD1-CB 4.06Å; F765-L769 HydrophobicContact CD1-CD1 4.2Å; F765-L769 HydrophobicContact CE1-CB 4.31Å; F765-L769 HydrophobicContact CE1-CD1 4.04Å; P766-L769 HydrophobicContact CG-CD1 4.37Å; P766-L769 PolarHBondContact O-N 2.96Å; L769-L772 HydrophobicContact CD2-CD1 4.37Å; L769-L772 PolarHBondContact O-N 2.97Å; L769-L773 PolarHBondContact O-N 3.16Å
770	L	37.7	Very low	35.1	Very low	114 Å²	114	96.8 Å²	96.8	60%	0.597	55%	0.549	S	S	*	.	H	α-helix	trans	-56.8	-45	176.4	-146.4	81.6	0	0	0	112.2	L772 L773 E774	L770-L772 VanDerWaalsContact C-N 3.35Å; L770-L772 PolarHBondContact O-N 2.89Å; L770-L773 PolarHBondContact O-N 3.27Å; L770-E774 VanDerWaalsContact O-CG 3.31Å; L770-E774 WeakPolarHBondContact O-CG 3.28Å; L770-E774 PolarHBondContact O-N 2.92Å
771	P	36.9	Very low	34.8	Very low	72 Å²	72	96.6 Å²	96.6	47%	0.468	55%	0.554	S	S	.	*	H	α-helix	trans	-68.2	-31	177.9	-18.8	32.4	0	0	0	113.6	E774 S775	P771-E774 PolarHBondContact O-N 3.23Å; P771-S775 WeakPolarHBondContact O-CB 3.33Å; P771-S775 PolarHBondContact O-N 3.22Å
772	L	35.4	Very low	34.4	Very low	106 Å²	106	99.2 Å²	99.2	56%	0.555	56%	0.559	S	S	*	*	H	α-helix	trans	-70.4	-42.7	177.2	-85.7	162.7	0	0	0	110.8	L769 L770 S775 A776	L769-L772 HydrophobicContact CD2-CD1 4.37Å; L769-L772 PolarHBondContact O-N 2.97Å; L770-L772 VanDerWaalsContact C-N 3.35Å; L770-L772 PolarHBondContact O-N 2.89Å; L772-S775 PolarHBondContact O-N 3.16Å; L772-S775 PolarHBondContact O-OG 3.13Å; L772-A776 PolarHBondContact O-N 3.11Å
773	L	35.1	Very low	33.8	Very low	37 Å²	37	103.8 Å²	103.8	19%	0.194	58%	0.583	C	S	.	*	H	α-helix	trans	-62.2	-43.1	170.5	-73.9	165.6	0	0	0	111.1	W713 L769 L770 S775 A776 F777	W713-L773 HydrophobicContact CH2-CD1 4.21Å; W713-L773 HydrophobicContact CH2-CD2 4Å; W713-L773 HydrophobicContact CH2-CG 4.41Å; L769-L773 PolarHBondContact O-N 3.16Å; L770-L773 PolarHBondContact O-N 3.27Å; L773-S775 VanDerWaalsContact C-N 3.26Å; L773-S775 PolarHBondContact O-N 3.27Å; L773-A776 PolarHBondContact O-N 3.17Å; L773-F777 HydrophobicContact CB-CD2 4.36Å; L773-F777 HydrophobicContact CD2-CD2 4.1Å; L773-F777 HydrophobicContact CD2-CE2 3.57Å; L773-F777 WeakPolarHBondContact O-CB 3.27Å; L773-F777 WeakPolarHBondContact O-CD2 3.45Å; L773-F777 PolarHBondContact O-N 3.1Å
774	E	35.8	Very low	33.4	Very low	98 Å²	98	102.1 Å²	102.1	46%	0.458	58%	0.575	S	S	.	*	H	α-helix	trans	-60.5	-33.9	173.7	-74.9	174.9	172.4	0	0	112.9	L770 P771 G778	L770-E774 VanDerWaalsContact O-CG 3.31Å; L770-E774 WeakPolarHBondContact O-CG 3.28Å; L770-E774 PolarHBondContact O-N 2.92Å; P771-E774 PolarHBondContact O-N 3.23Å; E774-G778 VanDerWaalsContact O-CA 3.24Å; E774-G778 WeakPolarHBondContact O-CA 3.07Å; E774-G778 PolarHBondContact O-N 3.43Å
775	S	39.5	Very low	32.9	Very low	85 Å²	85	104.6 Å²	104.6	59%	0.594	58%	0.576	S	S	*	*	H	α-helix	trans	-75.7	-34.8	177	76.2	0	0	0	0	113.5	P771 L772 L773	P771-S775 WeakPolarHBondContact O-CB 3.33Å; P771-S775 PolarHBondContact O-N 3.22Å; L772-S775 PolarHBondContact O-N 3.16Å; L772-S775 PolarHBondContact O-OG 3.13Å; L773-S775 VanDerWaalsContact C-N 3.26Å; L773-S775 PolarHBondContact O-N 3.27Å
776	A	37.2	Very low	32.4	Very low	74 Å²	74	108.1 Å²	108.1	61%	0.612	59%	0.592	S	S	*	*	H	α-helix	trans	-75.7	-32.5	177.9	0	0	0	0	0	112.3	L772 L773	L772-A776 PolarHBondContact O-N 3.11Å; L773-A776 PolarHBondContact O-N 3.17Å
777	F	35.8	Very low	31.7	Very low	95 Å²	95	111.8 Å²	111.8	42%	0.417	61%	0.606	S	S	.	*	H	α-helix	trans	-104.2	-2.6	-178.3	-64.5	-63.9	0	0	0	114.2	W734 L752 L773	W734-F777 HydrophobicContact CE3-CE1 4.28Å; W734-F777 HydrophobicContact CH2-CE1 4.42Å; W734-F777 AromaticContact CZ3-CE1 3.65Å; W734-F777 HydrophobicContact CZ3-CE1 3.65Å; W734-F777 HydrophobicContact CZ3-CZ 4.27Å; L752-F777 HydrophobicContact CD2-CD1 4.09Å; L752-F777 HydrophobicContact CD2-CE1 4.2Å; L752-F777 HydrophobicContact CD2-CG 4.38Å; L773-F777 HydrophobicContact CB-CD2 4.36Å; L773-F777 HydrophobicContact CD2-CD2 4.1Å; L773-F777 HydrophobicContact CD2-CE2 3.57Å; L773-F777 WeakPolarHBondContact O-CB 3.27Å; L773-F777 WeakPolarHBondContact O-CD2 3.45Å; L773-F777 PolarHBondContact O-N 3.1Å
778	G	30.3	Very low	31.2	Very low	24 Å²	24	115.7 Å²	115.7	25%	0.247	61%	0.61	C	S	.	*	S	Bend	trans	-71.5	156.7	179.8	0	0	0	0	0	113.2	E774 R780 G781	E774-G778 VanDerWaalsContact O-CA 3.24Å; E774-G778 WeakPolarHBondContact O-CA 3.07Å; E774-G778 PolarHBondContact O-N 3.43Å; G778-R780 PolarHBondContact O-N 3.37Å; G778-G781 PolarHBondContact O-N 3.18Å
779	P	35	Very low	30.6	Very low	136 Å²	136	115.5 Å²	115.5	88%	0.883	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	7.3	-168.6	27.9	-35.2	0	0	0	115.3
780	R	27.9	Very low	29.9	Very low	248 Å²	248	123.2 Å²	123.2	94%	0.936	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-0.6	178.1	-76.6	-171	173.8	-175.6	-0.9	114.6	G778 K782	G778-R780 PolarHBondContact O-N 3.37Å; R780-K782 VanDerWaalsContact C-N 3.28Å; R780-K782 PolarHBondContact O-N 3.4Å; R780-K782 VanDerWaalsContact O-N 3.09Å
781	G	28.8	Very low	29.2	Very low	70 Å²	70	125 Å²	125	72%	0.722	66%	0.657	S	S	*	*			trans	-79.9	35.6	178.8	0	0	0	0	0	116.7	G778	G778-G781 PolarHBondContact O-N 3.18Å
782	K	27.6	Very low	28.6	Very low	194 Å²	194	132.5 Å²	132.5	84%	0.843	68%	0.682	S	S	*	*	S	Bend	trans	-82.3	-2.1	-178.3	-96.2	-170.1	179.6	-178.4	0	116.2	R780	R780-K782 VanDerWaalsContact C-N 3.28Å; R780-K782 PolarHBondContact O-N 3.4Å; R780-K782 VanDerWaalsContact O-N 3.09Å
783	E	25.3	Very low	28	Very low	179 Å²	179	130.3 Å²	130.3	84%	0.836	69%	0.685	S	S	*	*	S	Bend	trans	-126.9	9.5	-173.2	-69.2	-172.2	164.1	0	0	116.3	Y785	E783-Y785 PolarHBondContact O-N 3.42Å
784	G	24.9	Very low	27.4	Very low	60 Å²	60	135.1 Å²	135.1	62%	0.619	72%	0.717	S	S	*	*			trans	-87.4	82.1	174.7	0	0	0	0	0	113.1	F786	G784-F786 PolarHBondContact O-N 3.15Å; G784-F786 VanDerWaalsContact O-N 3.08Å
785	Y	22.9	Very low	26.8	Very low	206 Å²	206	135.9 Å²	135.9	81%	0.808	73%	0.733	S	S	*	*			trans	-68.3	97.3	169.6	-75.8	-92.6	0	0	0	110.6	E783 I787	E783-Y785 PolarHBondContact O-N 3.42Å; Y785-I787 PolarHBondContact O-N 2.91Å
786	F	24.7	Very low	26.1	Very low	132 Å²	132	137 Å²	137	58%	0.579	75%	0.747	S	S	*	*			trans	-91.7	91.4	164	-78.6	-64.7	0	0	0	109.6	G784 F788	G784-F786 PolarHBondContact O-N 3.15Å; G784-F786 VanDerWaalsContact O-N 3.08Å; F786-F788 PolarHBondContact O-N 3.1Å
787	I	21.2	Very low	25.4	Very low	140 Å²	140	138.1 Å²	138.1	72%	0.718	75%	0.75	S	S	*	*			trans	-81.2	111.9	175.1	-60.8	173.8	0	0	0	108.6	Y785 V789	Y785-I787 PolarHBondContact O-N 2.91Å; I787-V789 PolarHBondContact O-N 3.21Å
788	F	22.3	Very low	24.7	Very low	192 Å²	192	139.5 Å²	139.5	84%	0.842	77%	0.771	S	S	*	*			trans	-69.9	117	171.8	-96.2	-95.4	0	0	0	110.5	F786 K790	F786-F788 PolarHBondContact O-N 3.1Å; F788-K790 PolarHBondContact O-N 2.97Å
789	V	21.3	Very low	24.3	Very low	137 Å²	137	146.6 Å²	146.6	83%	0.83	80%	0.795	S	S	*	*			trans	-85.3	105.3	167.8	-179.1	0	0	0	0	108.3	I787	I787-V789 PolarHBondContact O-N 3.21Å
790	K	22.2	Very low	23.8	Very low	189 Å²	189	145.4 Å²	145.4	82%	0.822	79%	0.789	S	S	*	*			trans	-83.5	117.2	167.6	-135.8	179.8	-174.2	177.9	0	106.7	F788	F788-K790 PolarHBondContact O-N 2.97Å
791	D	23.5	Very low	23.6	Very low	151 Å²	151	137.8 Å²	137.8	81%	0.807	78%	0.775	S	S	*	*			trans	166.7	95.5	146.8	-83.8	-17.9	0	0	0	110.4
792	F	23.1	Very low	23.4	Very low	229 Å²	229	145 Å²	145	100%	1.004	78%	0.781	S	S	*	*			trans	-112.5	85.9	160	-94.7	-84.7	0	0	0	107.6
793	G	23.4	Very low	23.1	Very low	60 Å²	60	143.8 Å²	143.8	62%	0.619	78%	0.784	S	S	*	*			trans	-150.5	104.3	178.9	0	0	0	0	0	111.4
794	T	23.4	Very low	22.9	Very low	139 Å²	139	146.5 Å²	146.5	85%	0.853	79%	0.787	S	S	*	*			trans	42.5	102.1	148.5	57.3	0	0	0	0	119.1
795	S	23.5	Very low	22.9	Very low	114 Å²	114	151.3 Å²	151.3	80%	0.797	80%	0.797	S	S	*	*				161.2	117.7	121.8	52	0	0	0	0	111.5	S797	S795-S797 PolarHBondContact O-N 3.15Å; S795-S797 VanDerWaalsContact O-N 3.11Å
796	A	23.1	Very low	22.8	Very low	108 Å²	108	152.3 Å²	152.3	89%	0.893	80%	0.801	S	S	*	*			trans	-74	89.8	165.6	0	0	0	0	0	109
797	S	22.4	Very low	22.6	Very low	98 Å²	98	151.2 Å²	151.2	69%	0.685	81%	0.81	S	S	*	*			trans	169.3	86.8	151.8	54	0	0	0	0	110.6	S795	S795-S797 PolarHBondContact O-N 3.15Å; S795-S797 VanDerWaalsContact O-N 3.11Å
798	C	22.3	Very low	22.8	Very low	124 Å²	124	155.2 Å²	155.2	84%	0.838	82%	0.823	S	S	*	*			trans	-162.2	95.4	151.2	-97.9	0	0	0	0	109.6
799	F	21.8	Very low	22.9	Very low	173 Å²	173	149.4 Å²	149.4	76%	0.759	82%	0.817	S	S	*	*			trans	41.2	104	138.2	-82.2	-102.7	0	0	0	117.1	S801	F799-S801 VanDerWaalsContact C-N 3.3Å; F799-S801 PolarHBondContact O-N 3.47Å; F799-S801 PolarHBondContact O-OG 3.25Å
800	S	23.5	Very low	22.9	Very low	110 Å²	110	152.4 Å²	152.4	77%	0.769	82%	0.819	S	S	*	*				43.5	55.4	95.1	78.5	0	0	0	0	113.6
801	S	23.9	Very low	23.1	Very low	89 Å²	89	150.1 Å²	150.1	62%	0.622	82%	0.821	S	S	*	*			trans	-147.3	32	178.2	-44.2	0	0	0	0	113	F799	F799-S801 VanDerWaalsContact C-N 3.3Å; F799-S801 PolarHBondContact O-N 3.47Å; F799-S801 PolarHBondContact O-OG 3.25Å
802	Y	24.3	Very low	23.8	Very low	220 Å²	220	149.1 Å²	149.1	86%	0.863	82%	0.823	S	S	*	*			trans	-137.8	41.5	171.7	-97.8	-82.4	0	0	0	112.8
803	N	21.5	Very low	23.7	Very low	169 Å²	169	141.6 Å²	141.6	90%	0.904	81%	0.81	S	S	*	*			trans	-109.1	34.6	171.5	-117.5	-7	0	0	0	112.6
804	R	21.4	Very low	23.6	Very low	237 Å²	237	143.1 Å²	143.1	89%	0.894	82%	0.817	S	S	*	*			trans	-144.9	72.2	172.2	-77.7	-169.9	178.3	174.2	-0.1	111.4
805	L	24.7	Very low	23.7	Very low	160 Å²	160	146.8 Å²	146.8	84%	0.838	82%	0.821	S	S	*	*			trans	-149.2	55.5	153.8	-98.1	163.5	0	0	0	108.3
806	Y	20.8	Very low	23.5	Very low	227 Å²	227	145.8 Å²	145.8	89%	0.89	82%	0.82	S	S	*	*			trans	-103.1	138.3	151.1	-96.5	-88	0	0	0	106.8
807	S	21.5	Very low	23.7	Very low	110 Å²	110	152.3 Å²	152.3	77%	0.769	84%	0.838	S	S	*	*			trans	90.6	77.9	169	88.8	0	0	0	0	119.4
808	F	25.3	Very low	23.8	Very low	223 Å²	223	155.1 Å²	155.1	98%	0.978	85%	0.846	S	S	*	*				-143.1	126.9	128.1	-91.2	-88.2	0	0	0	103.7
809	G	23.7	Very low	23.8	Very low	70 Å²	70	156.7 Å²	156.7	72%	0.722	85%	0.846	S	S	*	*			cis	150.8	114.2	24.5	0	0	0	0	0	103.5
810	K	21.9	Very low	24	Very low	201 Å²	201	155.8 Å²	155.8	87%	0.874	85%	0.851	S	S	*	*			trans	-20.2	133.7	169.9	-64	167.8	173.2	177.7	0	115.9
811	T	27	Very low	24	Very low	141 Å²	141	158.5 Å²	158.5	87%	0.865	86%	0.856	S	S	*	*				-165.4	139.9	112.1	27.8	0	0	0	0	112.1
812	P	36.4	Very low	24	Very low	130 Å²	130	162.8 Å²	162.8	84%	0.844	87%	0.871	S	S	*	*			trans	-98.3	158.9	174.8	38.2	-30.5	0	0	0	112.2
813	G	21.9	Very low	24	Very low	71 Å²	71	159 Å²	159	73%	0.732	87%	0.871	S	S	*	*			trans	139	95.3	171.2	0	0	0	0	0	111
814	A	21.1	Very low	24.2	Very low	92 Å²	92	158.3 Å²	158.3	76%	0.76	87%	0.869	S	S	*	*				60.7	99.8	93.3	0	0	0	0	0	112.7
815	F	25.2	Very low	24.4	Very low	215 Å²	215	152.2 Å²	152.2	94%	0.943	87%	0.867	S	S	*	*			trans	-150.2	112.8	138.9	-98.9	-75.6	0	0	0	109
816	A	19	Very low	24.3	Very low	93 Å²	93	151.6 Å²	151.6	77%	0.769	87%	0.87	S	S	*	*			trans	-74.8	131.3	157.2	0	0	0	0	0	108.4
817	L	28.3	Very low	24.7	Very low	246 Å²	246	144.7 Å²	144.7	100%	1.288	87%	0.868	S	S	*	*			trans	-162	0	138.5	-107.2	162.8	0	0	0	107.9

Retrieved 817 of 817 residues in 641 ms (Link to these results)

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