A0A087Y2C4_POEFO Loading...

DOC domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y2C4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 862 aa.

						>A0A087Y2C4_POEFO|A0A087Y2C4
MSPVSRLEPADPSLSSVQEVQPDDASLIGLSVPGDVSKKLLHYLKQALPSWCLGDLLCSHAFCKHYLRRGGGSLEDEELLAESSLAPPALGGGTQSFTSSSSAYSSSAKGSVSKKAKKEVPLDSGCSETESELPSEDDSKYPDDIEDKMKVFNNPRVQGKKSLLEKLGEVVDILKKGGSASDPALQLSAVLFITRLLEEKSAQDKNSMRSDSAQTIRDKVLKLLVELLGSSSRDVVVSTLRLTHLLMLKYEWRVCFATEGGVKAVLSCMQEFSTVVHVLQLALATLKVITGASKHDLRSVGSSLPLSESGTQMMLEIFASIGSATPEGSKGLLSTIPSAIDLMLKSKGCMLSVRNGLLVIIMLIASHKSLAEQLVACGVTAILKKCLTLSRAETMLAIIALNHISMVHKLESKESQDQLDFKDTELQMLVVSLKELTVTKEVIQTLEQLLCDDTSQLEDERRQVTHSRDTYQDLVRLMEQHRADRAVQLSILRILNKFLDNYEEDMLPWHESIEPCLSTMTAFINDREVVQLFIRFLYRLASLNKDYAVVMCRLGTKESLVKALDKHSTNLLLVTELRDLISDCEKYANLYKKMTTSVLAGCIQMVLGQIEEHRRSHQPINIPFFDVFLRNLCQGSSVELKEDKCWEKVEVSSNHHRANKLTDKNPKTYWESNGCTGSHFINIYMHKGVVIRQLAILVASEDSSYMPARILVLGGDDPANINTELNTVNVAASASRVVLLENMTRFWSIIQIRIKRCQQGGIDTRVHGFEVLGPKPTFWPVFKEQLCRRTYLFYSTKAHTWCQEVVEDKAQLLQLFNKLNSALRHEQMFADRFLPDAEAAEALGRTCWEALISPIVHSITLS
					

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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	32.4	Very low	28.4	Very low	247 Å²	247	150.3 Å²	150.3	100%	1.217	85%	0.849	S	S	*	*				0	118.4	0	-87.1	173.3	144.2	0	0	107.7
2	S	24	Very low	28.8	Very low	118 Å²	118	148 Å²	148	83%	0.825	84%	0.844	S	S	*	*			trans	-63.1	177.4	-177.8	-29.8	0	0	0	0	112.7
3	P	35.7	Very low	28.6	Very low	122 Å²	122	144.1 Å²	144.1	79%	0.792	83%	0.832	S	S	*	*			cis	-139.1	159.3	3.3	30.2	-7.2	0	0	0	117.2
4	V	28.6	Very low	28.5	Very low	133 Å²	133	146.6 Å²	146.6	81%	0.806	84%	0.84	S	S	*	*			trans	-65.1	132	155	171	0	0	0	0	109.6
5	S	28.6	Very low	28.4	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	84%	0.839	S	S	*	*			trans	-103.5	104.3	165.4	51.7	0	0	0	0	110.2
6	R	26.8	Very low	28.6	Very low	209 Å²	209	142.7 Å²	142.7	79%	0.789	84%	0.835	S	S	*	*			trans	-62.7	142.4	158	-79.2	-180	-178.9	179.2	-0.4	109.5
7	L	25.5	Very low	28.5	Very low	179 Å²	179	142.6 Å²	142.6	94%	0.937	84%	0.837	S	S	*	*			trans	-121.4	117	151.4	-91.8	156.1	0	0	0	107.3
8	E	26.2	Very low	28.3	Very low	157 Å²	157	144.5 Å²	144.5	73%	0.734	84%	0.836	S	S	*	*			trans	-93	173.4	171.4	-109.9	-167.8	-166.4	0	0	109.6
9	P	32.3	Very low	28.1	Very low	120 Å²	120	147.2 Å²	147.2	78%	0.779	84%	0.84	S	S	*	*			trans	-87.4	156.7	-141.5	37.3	-36.3	0	0	0	113.8
10	A	26.8	Very low	28	Very low	102 Å²	102	146 Å²	146	84%	0.843	84%	0.835	S	S	*	*			trans	-113.6	149.5	169.5	0	0	0	0	0	111.2
11	D	25.3	Very low	27.9	Very low	151 Å²	151	147.4 Å²	147.4	81%	0.807	83%	0.834	S	S	*	*			trans	-61.1	159.3	-150.7	-82.3	-53.1	0	0	0	120.5
12	P	33.2	Very low	27.6	Very low	123 Å²	123	140.8 Å²	140.8	80%	0.799	81%	0.81	S	S	*	*			trans	-93.8	94.4	179.3	36.8	-27.5	0	0	0	111.2
13	S	27	Very low	27.8	Very low	97 Å²	97	141.3 Å²	141.3	68%	0.678	80%	0.803	S	S	*	*			trans	-158.7	79.5	166.6	62.6	0	0	0	0	112.2
14	L	26	Very low	27.6	Very low	180 Å²	180	141.9 Å²	141.9	94%	0.942	80%	0.8	S	S	*	*			trans	-170.2	63.4	153.8	-102.2	141.3	0	0	0	109.1	S16	L14-S16 PolarHBondContact O-N 2.84Å
15	S	27.3	Very low	27.7	Very low	119 Å²	119	139.2 Å²	139.2	83%	0.832	79%	0.792	S	S	*	*			trans	-80.8	100.2	163.2	53.5	0	0	0	0	109.3
16	S	32.2	Very low	27.9	Very low	111 Å²	111	137.8 Å²	137.8	78%	0.776	78%	0.782	S	S	*	*			trans	169.4	76.8	141.9	60.1	0	0	0	0	111.6	L14	L14-S16 PolarHBondContact O-N 2.84Å
17	V	25.8	Very low	28.1	Very low	142 Å²	142	134.8 Å²	134.8	86%	0.861	78%	0.781	S	S	*	*			trans	-135.5	117.6	148.1	-174.1	0	0	0	0	106.8	E19	V17-E19 PolarHBondContact O-N 3.36Å
18	Q	24.8	Very low	28.6	Very low	176 Å²	176	133.1 Å²	133.1	82%	0.822	77%	0.771	S	S	*	*			trans	-59.2	117.1	-178.9	-153.7	158.5	-1.1	0	0	109	V20	Q18-V20 PolarHBondContact O-N 3.33Å
19	E	25.1	Very low	28.9	Very low	196 Å²	196	128.5 Å²	128.5	92%	0.916	77%	0.765	S	S	*	*			trans	-63.5	99.6	168.1	-83.3	-175.3	155.2	0	0	108.4	V17	V17-E19 PolarHBondContact O-N 3.36Å
20	V	26.3	Very low	29.1	Very low	123 Å²	123	130.3 Å²	130.3	75%	0.745	77%	0.768	S	S	*	*			trans	-82.8	111.5	165.4	177.2	0	0	0	0	106.2	Q18	Q18-V20 PolarHBondContact O-N 3.33Å
21	Q	25.6	Very low	29.8	Very low	175 Å²	175	129.6 Å²	129.6	82%	0.818	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-50.2	130.9	163.1	-80	179	-29	0	0	108.7	D23	Q21-D23 PolarHBondContact O-N 3.01Å
22	P	27.4	Very low	30.5	Very low	108 Å²	108	125.4 Å²	125.4	70%	0.701	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-69.4	122.9	173.6	28.8	-29.9	0	0	0	108.3
23	D	27.7	Very low	31.3	Very low	129 Å²	129	123.4 Å²	123.4	69%	0.69	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-69.5	127.4	178.7	-149.9	1.7	0	0	0	109.3	Q21 A25 S26	Q21-D23 PolarHBondContact O-N 3.01Å; D23-A25 PolarHBondContact O-N 3.47Å; D23-S26 PolarHBondContact O-N 2.85Å; D23-S26 PolarHBondContact O-OG 3.12Å
24	D	30.4	Very low	32.3	Very low	135 Å²	135	121.1 Å²	121.1	72%	0.722	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-57.2	-14.9	-176.3	-82.4	-31.6	0	0	0	113.4	S26	D24-S26 VanDerWaalsContact C-N 3.31Å; D24-S26 PolarHBondContact O-N 3.04Å
25	A	31.5	Very low	33.3	Very low	77 Å²	77	117.8 Å²	117.8	64%	0.636	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-72.9	-18.9	175.7	0	0	0	0	0	114	D23	D23-A25 PolarHBondContact O-N 3.47Å
26	S	32.6	Very low	34.4	Very low	85 Å²	85	114.8 Å²	114.8	59%	0.594	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-86.1	-15.2	-177.3	61.3	0	0	0	0	114.3	D23 D24	D23-S26 PolarHBondContact O-N 2.85Å; D23-S26 PolarHBondContact O-OG 3.12Å; D24-S26 VanDerWaalsContact C-N 3.31Å; D24-S26 PolarHBondContact O-N 3.04Å
27	L	31.6	Very low	35.2	Very low	145 Å²	145	111.9 Å²	111.9	76%	0.759	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-6.3	178	-82.8	161.7	0	0	0	114.3	G29	L27-G29 VanDerWaalsContact C-N 3.34Å
28	I	35.2	Very low	36.4	Very low	145 Å²	145	110 Å²	110	74%	0.744	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	2.5	176.7	-57	177.4	0	0	0	111.6
29	G	32.2	Very low	37.7	Very low	59 Å²	59	109.2 Å²	109.2	61%	0.608	63%	0.629	S	S	*	*			trans	-96.4	13.7	-171.5	0	0	0	0	0	118.2	L27	L27-G29 VanDerWaalsContact C-N 3.34Å
30	L	37.4	Very low	38.8	Very low	159 Å²	159	102.9 Å²	102.9	83%	0.832	60%	0.601	S	S	*	*			trans	-129.5	47.7	177.4	-73.8	168.7	0	0	0	112.7
31	S	40.6	Very low	40.2	Very low	86 Å²	86	99 Å²	99	60%	0.601	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-77.9	122.6	157.4	62.6	0	0	0	0	108.9	P33	S31-P33 WeakPolarHBondContact O-CD 3.42Å; S31-P33 VanDerWaalsContact O-N 3.16Å
32	V	40.2	Very low	41.6	Very low	64 Å²	64	96.2 Å²	96.2	39%	0.388	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-50.8	120.3	173.8	-178.2	0	0	0	0	109	V36 V856	V32-V36 HydrophobicContact CG1-CB 3.76Å; V32-V36 HydrophobicContact CG1-CG1 3.77Å; V32-V856 HydrophobicContact CG2-CG1 3.83Å
33	P	49.8	Very low	43.1	Very low	80 Å²	80	98.9 Å²	98.9	52%	0.519	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-57.6	140.7	179.6	-23.7	32.5	0	0	0	110.9	S31 D35 V36 S37	S31-P33 WeakPolarHBondContact O-CD 3.42Å; S31-P33 VanDerWaalsContact O-N 3.16Å; P33-D35 PolarHBondContact O-N 2.92Å; P33-V36 HydrophobicContact CB-CG2 4.17Å; P33-V36 HydrophobicContact CG-CG2 4.18Å; P33-V36 WeakPolarHBondContact O-CB 3.42Å; P33-V36 PolarHBondContact O-N 2.84Å; P33-S37 PolarHBondContact O-N 3Å
34	G	48.3	Very low	44.3	Very low	50 Å²	50	94.7 Å²	94.7	52%	0.515	54%	0.537	S	S	.	.	H	α-helix	trans	-53.3	-29.7	-176.7	0	0	0	0	0	114	S37 K38	G34-S37 PolarHBondContact O-N 2.7Å; G34-K38 WeakPolarHBondContact O-CG 3.36Å; G34-K38 PolarHBondContact O-N 2.82Å
35	D	48.2	Very low	45.5	Very low	110 Å²	110	93.2 Å²	93.2	59%	0.588	52%	0.524	S	S	*	.	H	α-helix	trans	-72.4	-30.5	176.7	-63	-33.7	0	0	0	113.7	P33 K38 K39	P33-D35 PolarHBondContact O-N 2.92Å; D35-K38 PolarHBondContact O-N 2.97Å; D35-K39 WeakPolarHBondContact O-CG 3.5Å; D35-K39 PolarHBondContact O-N 3.15Å
36	V	50.3	Low	46.6	Very low	55 Å²	55	96.7 Å²	96.7	33%	0.333	53%	0.527	S	S	.	.	H	α-helix	trans	-71.5	-40.5	174.3	179.9	0	0	0	0	109.5	V32 P33 K38 K39 L40 T860	V32-V36 HydrophobicContact CG1-CB 3.76Å; V32-V36 HydrophobicContact CG1-CG1 3.77Å; P33-V36 HydrophobicContact CB-CG2 4.17Å; P33-V36 HydrophobicContact CG-CG2 4.18Å; P33-V36 WeakPolarHBondContact O-CB 3.42Å; P33-V36 PolarHBondContact O-N 2.84Å; V36-K38 VanDerWaalsContact C-N 3.34Å; V36-K38 PolarHBondContact O-N 3.48Å; V36-K39 PolarHBondContact O-N 3.36Å; V36-L40 VanDerWaalsContact O-CB 3.27Å; V36-L40 WeakPolarHBondContact O-CB 3.38Å; V36-L40 PolarHBondContact O-N 2.72Å; V36-T860 HydrophobicContact CG1-CG2 4.49Å
37	S	49.1	Very low	47.4	Very low	50 Å²	50	95.7 Å²	95.7	35%	0.35	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-37.9	173.3	-55.7	0	0	0	0	112.5	P33 G34 L41	P33-S37 PolarHBondContact O-N 3Å; G34-S37 PolarHBondContact O-N 2.7Å; S37-L41 WeakPolarHBondContact O-CB 3.23Å; S37-L41 PolarHBondContact O-N 3.2Å
38	K	50.3	Low	48.3	Very low	104 Å²	104	91.4 Å²	91.4	45%	0.452	50%	0.502	S	S	.	.	H	α-helix	trans	-66.8	-44.9	174.3	-75.5	176.1	-179.7	-178.4	0	112.7	G34 D35 V36 L40 L41 H42	G34-K38 WeakPolarHBondContact O-CG 3.36Å; G34-K38 PolarHBondContact O-N 2.82Å; D35-K38 PolarHBondContact O-N 2.97Å; V36-K38 VanDerWaalsContact C-N 3.34Å; V36-K38 PolarHBondContact O-N 3.48Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-L40 PolarHBondContact O-N 2.98Å; K38-L41 PolarHBondContact O-N 3.42Å; K38-H42 WeakPolarHBondContact O-CB 3.48Å; K38-H42 PolarHBondContact O-N 3.06Å
39	K	51.7	Low	49.1	Very low	158 Å²	158	88 Å²	88	69%	0.687	49%	0.489	S	S	*	.	H	α-helix	trans	-62.7	-38.8	175.6	-74.9	176.8	-179.4	179.8	0	111.9	D35 V36 H42 Y43	D35-K39 WeakPolarHBondContact O-CG 3.5Å; D35-K39 PolarHBondContact O-N 3.15Å; V36-K39 PolarHBondContact O-N 3.36Å; K39-H42 PolarHBondContact O-N 3.31Å; K39-Y43 WeakPolarHBondContact O-CB 3.38Å; K39-Y43 PolarHBondContact O-N 2.94Å
40	L	49.1	Very low	49.8	Very low	63 Å²	63	90.4 Å²	90.4	33%	0.33	50%	0.496	S	S	.	.	H	α-helix	trans	-68.6	-40.6	177.6	-159	136.1	0	0	0	111.4	V36 K38 Y43 L44	V36-L40 VanDerWaalsContact O-CB 3.27Å; V36-L40 WeakPolarHBondContact O-CB 3.38Å; V36-L40 PolarHBondContact O-N 2.72Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-L40 PolarHBondContact O-N 2.98Å; L40-Y43 PolarHBondContact O-N 3.23Å; L40-L44 HydrophobicContact CD2-CD1 3.59Å; L40-L44 HydrophobicContact CD2-CG 4.37Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 3.35Å
41	L	54.7	Low	50.2	Low	43 Å²	43	91.7 Å²	91.7	23%	0.225	49%	0.491	C	S	.	.	H	α-helix	trans	-65	-39.8	173.9	-158.9	82.9	0	0	0	112.4	S37 K38 L44 K45 L56 F62	S37-L41 WeakPolarHBondContact O-CB 3.23Å; S37-L41 PolarHBondContact O-N 3.2Å; K38-L41 PolarHBondContact O-N 3.42Å; L41-L44 PolarHBondContact O-N 3.14Å; L41-K45 WeakPolarHBondContact O-CB 3.37Å; L41-K45 PolarHBondContact O-N 3.14Å; L41-L56 HydrophobicContact CD1-CD2 4Å; L41-F62 HydrophobicContact CD1-CE2 4.07Å; L41-F62 HydrophobicContact CD1-CZ 4.27Å; L41-F62 HydrophobicContact CD2-CZ 4.44Å
42	H	55.8	Low	50.4	Low	116 Å²	116	89.1 Å²	89.1	54%	0.537	47%	0.472	S	S	.	.	H	α-helix	trans	-67.7	-39.9	177	-166.8	-55	0	0	0	112	K38 K39 K45 Q46	K38-H42 WeakPolarHBondContact O-CB 3.48Å; K38-H42 PolarHBondContact O-N 3.06Å; K39-H42 PolarHBondContact O-N 3.31Å; H42-K45 PolarHBondContact O-N 3.11Å; H42-Q46 PolarHBondContact CE1-NE2 3.29Å; H42-Q46 PolarHBondContact O-N 3.43Å
43	Y	58.8	Low	50.9	Low	163 Å²	163	87.8 Å²	87.8	64%	0.639	46%	0.463	S	S	*	.	H	α-helix	trans	-64.4	-44.5	174.1	-177	-98.8	0	0	0	111.5	K39 L40 K45 Q46 A47	K39-Y43 WeakPolarHBondContact O-CB 3.38Å; K39-Y43 PolarHBondContact O-N 2.94Å; L40-Y43 PolarHBondContact O-N 3.23Å; Y43-K45 PolarHBondContact O-N 3.41Å; Y43-Q46 PolarHBondContact O-N 3.43Å; Y43-A47 WeakPolarHBondContact O-CB 3.4Å; Y43-A47 PolarHBondContact O-N 3.08Å
44	L	52.6	Low	50.7	Low	42 Å²	42	85.6 Å²	85.6	22%	0.22	46%	0.455	C	S	.	.	H	α-helix	trans	-65.2	-35	177	-70.6	171.6	0	0	0	112.8	L40 L41 Q46 L48	L40-L44 HydrophobicContact CD2-CD1 3.59Å; L40-L44 HydrophobicContact CD2-CG 4.37Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 3.35Å; L41-L44 PolarHBondContact O-N 3.14Å; L44-Q46 VanDerWaalsContact C-N 3.34Å; L44-L48 HydrophobicContact CB-CD1 4.22Å; L44-L48 HydrophobicContact CD2-CD1 3.79Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 PolarHBondContact O-N 2.72Å
45	K	56	Low	50.7	Low	104 Å²	104	88.6 Å²	88.6	45%	0.452	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-34.9	173	-101.9	-174	174.2	-175.2	0	113.4	L41 H42 Y43 L53	L41-K45 WeakPolarHBondContact O-CB 3.37Å; L41-K45 PolarHBondContact O-N 3.14Å; H42-K45 PolarHBondContact O-N 3.11Å; Y43-K45 PolarHBondContact O-N 3.41Å; K45-L53 HydrophobicContact CB-CD1 4.38Å; K45-L53 HydrophobicContact CD-CD2 4.24Å; K45-L53 HydrophobicContact CG-CD1 3.75Å; K45-L53 HydrophobicContact CG-CD2 3.6Å; K45-L53 HydrophobicContact CG-CG 4.27Å
46	Q	53.8	Low	50.6	Low	150 Å²	150	85.7 Å²	85.7	70%	0.701	44%	0.443	S	S	*	.	H	α-helix	trans	-84.4	-27.4	179.8	-78.8	-176.1	-22.2	0	0	113.4	H42 Y43 L44	H42-Q46 PolarHBondContact CE1-NE2 3.29Å; H42-Q46 PolarHBondContact O-N 3.43Å; Y43-Q46 PolarHBondContact O-N 3.43Å; L44-Q46 VanDerWaalsContact C-N 3.34Å
47	A	49.4	Very low	50.6	Low	64 Å²	64	86.2 Å²	86.2	53%	0.529	44%	0.444	S	S	.	.	H	α-helix	trans	-94.7	-14.5	-173	0	0	0	0	0	114.9	Y43	Y43-A47 WeakPolarHBondContact O-CB 3.4Å; Y43-A47 PolarHBondContact O-N 3.08Å
48	L	50.4	Low	50.4	Low	55 Å²	55	88.9 Å²	88.9	29%	0.288	46%	0.461	S	S	.	.	S	Bend	trans	-117.5	149.1	-172.2	-70.5	162.2	0	0	0	113.7	L44 L813	L44-L48 HydrophobicContact CB-CD1 4.22Å; L44-L48 HydrophobicContact CD2-CD1 3.79Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 PolarHBondContact O-N 2.72Å; L48-L813 HydrophobicContact CD2-CD2 3.47Å; L48-L813 VanDerWaalsContact CD2-CD2 3.47Å
49	P	52.2	Low	50.2	Low	72 Å²	72	86.2 Å²	86.2	47%	0.468	46%	0.455	S	S	.	.			trans	-63.4	146.1	170.9	-20.4	32.5	0	0	0	113	W51 C52	P49-W51 PolarHBondContact O-N 3.08Å; P49-C52 PolarHBondContact O-N 3.17Å; P49-C52 VanDerWaalsContact O-N 3.11Å
50	S	47.7	Very low	49.7	Very low	110 Å²	110	86.6 Å²	86.6	77%	0.769	46%	0.459	S	S	*	.	H	α-helix	trans	-56.7	-25.9	-170.7	54.6	0	0	0	0	116	L53	S50-L53 PolarHBondContact O-N 3.22Å
51	W	44.7	Very low	49.2	Very low	187 Å²	187	85.3 Å²	85.3	71%	0.708	46%	0.458	S	S	*	.	H	α-helix	trans	-74.3	-28	-179.9	63.2	-87.6	0	0	0	113.5	P49 L53	P49-W51 PolarHBondContact O-N 3.08Å; W51-L53 VanDerWaalsContact C-N 3.27Å; W51-L53 PolarHBondContact O-N 3.45Å
52	C	45.9	Very low	48.7	Very low	31 Å²	31	85.9 Å²	85.9	21%	0.209	46%	0.458	C	S	.	.	H	α-helix	trans	-73.8	-20.3	174.9	-68.4	0	0	0	0	112.8	P49	P49-C52 PolarHBondContact O-N 3.17Å; P49-C52 VanDerWaalsContact O-N 3.11Å
53	L	49.5	Very low	48.3	Very low	37 Å²	37	83.2 Å²	83.2	19%	0.194	45%	0.453	C	S	.	.	H	α-helix	trans	-77.4	-30.3	-177.1	-138.2	98.9	0	0	0	112.4	K45 S50 W51 L56 L57	K45-L53 HydrophobicContact CB-CD1 4.38Å; K45-L53 HydrophobicContact CD-CD2 4.24Å; K45-L53 HydrophobicContact CG-CD1 3.75Å; K45-L53 HydrophobicContact CG-CD2 3.6Å; K45-L53 HydrophobicContact CG-CG 4.27Å; S50-L53 PolarHBondContact O-N 3.22Å; W51-L53 VanDerWaalsContact C-N 3.27Å; W51-L53 PolarHBondContact O-N 3.45Å; L53-L56 PolarHBondContact O-N 3.32Å; L53-L57 HydrophobicContact CD2-CD1 4.2Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 3.39Å
54	G	46	Very low	47.5	Very low	34 Å²	34	81.2 Å²	81.2	35%	0.351	45%	0.447	S	S	.	.	H	α-helix	trans	-64.7	-38.2	179	0	0	0	0	0	113.1	C58	G54-C58 WeakPolarHBondContact O-CB 3.31Å; G54-C58 PolarHBondContact O-N 3.47Å; G54-C58 VanDerWaalsContact O-N 3.12Å; G54-C58 PolarHBondContact O-SG 3.04Å
55	D	49.7	Very low	47.1	Very low	113 Å²	113	85.7 Å²	85.7	60%	0.604	47%	0.466	S	S	*	.	H	α-helix	trans	-73.5	-28.2	-179.7	-75.2	-17	0	0	0	113.1	S59	D55-S59 PolarHBondContact O-N 3.43Å
56	L	45.2	Very low	46.5	Very low	49 Å²	49	84.3 Å²	84.3	26%	0.257	46%	0.459	S	S	.	.	H	α-helix	trans	-73.1	-42	176.7	-164.7	83.4	0	0	0	111.6	L41 L53 S59 F816	L41-L56 HydrophobicContact CD1-CD2 4Å; L53-L56 PolarHBondContact O-N 3.32Å; L56-S59 WeakPolarHBondContact O-CB 3.49Å; L56-S59 PolarHBondContact O-N 3.32Å; L56-F816 HydrophobicContact CD1-CE2 3.73Å; L56-F816 HydrophobicContact CD1-CZ 3.99Å
57	L	50	Low	46	Very low	66 Å²	66	83.7 Å²	83.7	35%	0.346	46%	0.46	S	S	.	.	H	α-helix	trans	-73.5	-27.1	179	-68.2	170.7	0	0	0	112.5	L53 S59 F62	L53-L57 HydrophobicContact CD2-CD1 4.2Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 3.39Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-F62 HydrophobicContact CD2-CD1 4.31Å; L57-F62 HydrophobicContact CD2-CE1 3.6Å; L57-F62 HydrophobicContact CD2-CZ 4.06Å
58	C	45.5	Very low	45.8	Very low	105 Å²	105	91 Å²	91	71%	0.709	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.4	175.6	-68.4	0	0	0	0	114	G54 H60	G54-C58 WeakPolarHBondContact O-CB 3.31Å; G54-C58 PolarHBondContact O-N 3.47Å; G54-C58 VanDerWaalsContact O-N 3.12Å; G54-C58 PolarHBondContact O-SG 3.04Å; C58-H60 PolarHBondContact O-N 3.07Å
59	S	46	Very low	45.3	Very low	48 Å²	48	98.9 Å²	98.9	34%	0.336	50%	0.5	S	S	.	.			trans	-69.4	123.5	177.1	178.4	0	0	0	0	111.2	D55 L56 L57 A61 F62 C63	D55-S59 PolarHBondContact O-N 3.43Å; L56-S59 WeakPolarHBondContact O-CB 3.49Å; L56-S59 PolarHBondContact O-N 3.32Å; L57-S59 VanDerWaalsContact C-N 3.34Å; S59-A61 PolarHBondContact O-N 2.89Å; S59-F62 WeakPolarHBondContact O-CB 3.41Å; S59-F62 PolarHBondContact O-N 3.44Å; S59-C63 PolarHBondContact O-N 2.91Å
60	H	39.9	Very low	44.9	Very low	166 Å²	166	99.1 Å²	99.1	77%	0.769	52%	0.515	S	S	*	.	H	α-helix	trans	-60.8	-21.2	-178	-138.8	-73.5	0	0	0	113.2	C58 K64	C58-H60 PolarHBondContact O-N 3.07Å; H60-K64 VanDerWaalsContact O-CB 3.24Å; H60-K64 WeakPolarHBondContact O-CB 3.16Å; H60-K64 PolarHBondContact O-N 2.63Å
61	A	39.6	Very low	44.4	Very low	37 Å²	37	95.2 Å²	95.2	31%	0.306	49%	0.492	S	S	.	.	H	α-helix	trans	-74.9	-36.2	173	0	0	0	0	0	112.5	S59 H65	S59-A61 PolarHBondContact O-N 2.89Å; A61-H65 WeakPolarHBondContact O-CB 3.46Å; A61-H65 PolarHBondContact O-CD2 3.06Å; A61-H65 PolarHBondContact O-N 3.1Å
62	F	44	Very low	44.1	Very low	54 Å²	54	90.2 Å²	90.2	24%	0.237	50%	0.498	C	S	.	.	H	α-helix	trans	-69.4	-49.3	178.6	-174.9	-97.9	0	0	0	111.2	L41 L57 S59 K64 H65 Y66	L41-F62 HydrophobicContact CD1-CE2 4.07Å; L41-F62 HydrophobicContact CD1-CZ 4.27Å; L41-F62 HydrophobicContact CD2-CZ 4.44Å; L57-F62 HydrophobicContact CD2-CD1 4.31Å; L57-F62 HydrophobicContact CD2-CE1 3.6Å; L57-F62 HydrophobicContact CD2-CZ 4.06Å; S59-F62 WeakPolarHBondContact O-CB 3.41Å; S59-F62 PolarHBondContact O-N 3.44Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 3.25Å; F62-H65 PolarHBondContact O-N 3.4Å; F62-Y66 HydrophobicContact CE2-CD2 4.41Å; F62-Y66 HydrophobicContact CE2-CG 4.44Å; F62-Y66 HydrophobicContact CZ-CD1 4.39Å; F62-Y66 HydrophobicContact CZ-CG 4.24Å; F62-Y66 VanDerWaalsContact O-CB 3.24Å; F62-Y66 WeakPolarHBondContact O-CB 3.39Å; F62-Y66 PolarHBondContact O-N 3.32Å
63	C	48.1	Very low	43.6	Very low	61 Å²	61	92.8 Å²	92.8	41%	0.412	52%	0.517	S	S	.	.	H	α-helix	trans	-62.3	-36.7	177.4	-68.3	0	0	0	0	113.1	S59	S59-C63 PolarHBondContact O-N 2.91Å
64	K	41.7	Very low	43	Very low	120 Å²	120	99.5 Å²	99.5	52%	0.522	55%	0.552	S	S	.	*	H	α-helix	trans	-77.1	-29.1	-176.4	-165.3	176.7	-178.7	-175.9	0	113.3	H60 F62	H60-K64 VanDerWaalsContact O-CB 3.24Å; H60-K64 WeakPolarHBondContact O-CB 3.16Å; H60-K64 PolarHBondContact O-N 2.63Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 3.25Å
65	H	44.1	Very low	42.6	Very low	136 Å²	136	105.6 Å²	105.6	63%	0.63	57%	0.571	S	S	*	*	H	α-helix	trans	-104.5	-27.7	-175.6	-73.6	-77.4	0	0	0	114.8	A61 F62	A61-H65 WeakPolarHBondContact O-CB 3.46Å; A61-H65 PolarHBondContact O-CD2 3.06Å; A61-H65 PolarHBondContact O-N 3.1Å; F62-H65 PolarHBondContact O-N 3.4Å
66	Y	43.9	Very low	42.3	Very low	76 Å²	76	104.2 Å²	104.2	30%	0.298	56%	0.564	S	S	.	*	H	α-helix	trans	-82.3	-45.7	-179.8	-162.4	-98.7	0	0	0	112.6	F62 R68	F62-Y66 HydrophobicContact CE2-CD2 4.41Å; F62-Y66 HydrophobicContact CE2-CG 4.44Å; F62-Y66 HydrophobicContact CZ-CD1 4.39Å; F62-Y66 HydrophobicContact CZ-CG 4.24Å; F62-Y66 VanDerWaalsContact O-CB 3.24Å; F62-Y66 WeakPolarHBondContact O-CB 3.39Å; F62-Y66 PolarHBondContact O-N 3.32Å; Y66-R68 PolarHBondContact O-N 3.46Å
67	L	42.9	Very low	42	Very low	136 Å²	136	110.3 Å²	110.3	71%	0.712	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-72.2	-30.1	-177.8	-76.7	159.5	0	0	0	113.5	R69	L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 3.35Å
68	R	44.6	Very low	41.4	Very low	217 Å²	217	115.4 Å²	115.4	82%	0.819	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-82.9	-6.4	-173.9	-135.5	-179.2	-170.4	-162.6	1.9	114.4	Y66	Y66-R68 PolarHBondContact O-N 3.46Å
69	R	41.1	Very low	41.1	Very low	222 Å²	222	116.1 Å²	116.1	84%	0.838	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-114.9	29	-179	-98.9	-168.8	-175.3	-171.5	3	114.2	L67	L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 3.35Å
70	G	42.8	Very low	40.9	Very low	76 Å²	76	120.1 Å²	120.1	78%	0.784	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.4	38	162.1	0	0	0	0	0	115.7	G72	G70-G72 VanDerWaalsContact C-N 3.35Å
71	G	37.4	Very low	40.9	Very low	29 Å²	29	116 Å²	116	30%	0.299	62%	0.62	S	S	.	*			trans	-91.5	20.7	171.5	0	0	0	0	0	114.7	S73	G71-S73 PolarHBondContact O-N 3.34Å
72	G	38.2	Very low	40.7	Very low	81 Å²	81	123.1 Å²	123.1	84%	0.835	65%	0.648	S	S	*	*			trans	-91.3	88.6	174.5	0	0	0	0	0	110.4	G70	G70-G72 VanDerWaalsContact C-N 3.35Å
73	S	36.3	Very low	40.2	Very low	85 Å²	85	125.8 Å²	125.8	59%	0.594	67%	0.673	S	S	*	*			trans	-103.7	144.4	156.7	-173.3	0	0	0	0	108.2	G71 E75 D76	G71-S73 PolarHBondContact O-N 3.34Å; S73-E75 PolarHBondContact O-N 3.02Å; S73-D76 PolarHBondContact O-N 2.69Å
74	L	36	Very low	39.2	Very low	178 Å²	178	128.3 Å²	128.3	93%	0.932	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	8.3	-170.4	-84.1	141.7	0	0	0	116.8
75	E	37.4	Very low	38.6	Very low	163 Å²	163	130.9 Å²	130.9	76%	0.762	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-11.1	178.5	-66.1	-177.9	167.4	0	0	113.3	S73	S73-E75 PolarHBondContact O-N 3.02Å
76	D	42.6	Very low	37.9	Very low	83 Å²	83	128.9 Å²	128.9	44%	0.444	72%	0.717	S	S	.	*	S	Bend	trans	-89.6	-6.6	-174.5	-77.2	-36.2	0	0	0	115	S73	S73-D76 PolarHBondContact O-N 2.69Å
77	E	40.2	Very low	37.1	Very low	177 Å²	177	131 Å²	131	83%	0.827	74%	0.739	S	S	*	*	S	Bend	trans	-77.7	-20.8	177.1	-90.1	-155	155.5	0	0	114
78	E	36.7	Very low	36.4	Very low	173 Å²	173	130.7 Å²	130.7	81%	0.808	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-78.3	-20.8	177.1	-92	-176.6	153.5	0	0	113.2
79	L	40	Very low	35.6	Very low	121 Å²	121	124.8 Å²	124.8	63%	0.634	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-89.9	-5.4	-175	-71.5	172.2	0	0	0	114.8
80	L	42.3	Very low	34.9	Very low	132 Å²	132	123.2 Å²	123.2	69%	0.691	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-102.3	-4.2	177.6	-67.1	174.5	0	0	0	113.3
81	A	38.3	Very low	34.1	Very low	78 Å²	78	123.3 Å²	123.3	65%	0.645	75%	0.752	S	S	*	*	S	Bend	trans	-83.1	-17	-174.7	0	0	0	0	0	114.7
82	E	36.3	Very low	33.6	Very low	188 Å²	188	126.1 Å²	126.1	88%	0.879	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-5.5	-168.5	-87.2	-164.5	154	0	0	117.1
83	S	33.1	Very low	33	Very low	110 Å²	110	126.3 Å²	126.3	77%	0.769	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	11.9	-171.2	69.1	0	0	0	0	116.8
84	S	27.9	Very low	32.4	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	79%	0.794	S	S	*	*			trans	-110.2	77.5	-178.6	-59.8	0	0	0	0	112.6
85	L	28.8	Very low	32	Very low	175 Å²	175	129.1 Å²	129.1	92%	0.916	79%	0.791	S	S	*	*			trans	-106.2	115	163.1	-82.2	164.1	0	0	0	109.5
86	A	29.3	Very low	31.2	Very low	94 Å²	94	126 Å²	126	78%	0.777	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-83.2	156.1	177.5	0	0	0	0	0	112.7
87	P	26.3	Very low	30.2	Very low	119 Å²	119	131.6 Å²	131.6	77%	0.773	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-92.7	163	158.8	25.3	-11.3	0	0	0	112.6
88	P	29.5	Very low	29.3	Very low	131 Å²	131	129.9 Å²	129.9	85%	0.851	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86.5	159.2	-153.2	34.1	-34.9	0	0	0	115.5
89	A	27.5	Very low	28.6	Very low	93 Å²	93	127.7 Å²	127.7	77%	0.769	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-70.6	157	-173.6	0	0	0	0	0	115.8
90	L	26.7	Very low	27.8	Very low	188 Å²	188	127.8 Å²	127.8	98%	0.984	82%	0.824	S	S	*	*			trans	-154.8	108.4	144.8	-103.8	150.8	0	0	0	111
91	G	25.6	Very low	26.8	Very low	79 Å²	79	127.4 Å²	127.4	81%	0.814	83%	0.833	S	S	*	*			trans	94.8	93.4	138	0	0	0	0	0	120.6
92	G	26.8	Very low	26	Very low	87 Å²	87	129.7 Å²	129.7	90%	0.897	84%	0.844	S	S	*	*				116.4	106.6	129.1	0	0	0	0	0	119.3
93	G	25.4	Very low	25.3	Very low	85 Å²	85	125 Å²	125	88%	0.876	84%	0.837	S	S	*	*			trans	97.9	71.3	140	0	0	0	0	0	118.8
94	T	24.1	Very low	24.7	Very low	137 Å²	137	130.5 Å²	130.5	84%	0.84	84%	0.843	S	S	*	*			trans	-78.6	136.2	167.6	13.2	0	0	0	0	112.2
95	Q	26.1	Very low	24.4	Very low	185 Å²	185	129.9 Å²	129.9	86%	0.864	84%	0.838	S	S	*	*				-148.5	126.3	127.6	-72.6	-156.2	-10.5	0	0	111
96	S	22.5	Very low	24.1	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	84%	0.837	S	S	*	*			trans	-87.5	148.4	-175.1	51	0	0	0	0	113
97	F	20.8	Very low	23.7	Very low	200 Å²	200	128.7 Å²	128.7	88%	0.877	84%	0.839	S	S	*	*			trans	-129.5	110.8	155.9	-69.7	-71.8	0	0	0	110.5
98	T	21.5	Very low	23.4	Very low	141 Å²	141	127.3 Å²	127.3	87%	0.865	84%	0.838	S	S	*	*			trans	-104	141.2	151.4	45.6	0	0	0	0	107.4
99	S	22.2	Very low	23	Very low	126 Å²	126	131.1 Å²	131.1	88%	0.881	84%	0.841	S	S	*	*			trans	-129.6	116.1	170.8	38.6	0	0	0	0	109.9
100	S	22.2	Very low	22.6	Very low	123 Å²	123	130.2 Å²	130.2	86%	0.86	84%	0.841	S	S	*	*			trans	-111.8	131.5	162.6	52.1	0	0	0	0	107.6
101	S	22.7	Very low	22.3	Very low	124 Å²	124	126.7 Å²	126.7	87%	0.867	83%	0.832	S	S	*	*			trans	-113.3	126.8	-178.4	49.2	0	0	0	0	111.3
102	S	20.3	Very low	22.1	Very low	126 Å²	126	129 Å²	129	88%	0.881	83%	0.83	S	S	*	*			trans	-144.6	149	155.3	56.6	0	0	0	0	110.4
103	A	22.2	Very low	21.9	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	82%	0.821	S	S	*	*			trans	-70	159.7	-158.6	0	0	0	0	0	117.5
104	Y	20.3	Very low	21.7	Very low	226 Å²	226	135.5 Å²	135.5	89%	0.886	82%	0.822	S	S	*	*				-170.4	160.3	113	-115.5	-89.8	0	0	0	112.6
105	S	22	Very low	21.6	Very low	100 Å²	100	139 Å²	139	70%	0.699	83%	0.826	S	S	*	*			trans	-55.1	156.6	-172	58.8	0	0	0	0	120
106	S	21.7	Very low	21.4	Very low	128 Å²	128	135 Å²	135	90%	0.895	83%	0.825	S	S	*	*				-167.7	164	128.2	56.7	0	0	0	0	112.4
107	S	20.7	Very low	21.4	Very low	116 Å²	116	139.7 Å²	139.7	81%	0.811	83%	0.833	S	S	*	*			trans	-106.1	168.9	-157.1	58.5	0	0	0	0	115.1
108	A	20.6	Very low	21.5	Very low	90 Å²	90	140.3 Å²	140.3	74%	0.744	84%	0.835	S	S	*	*			trans	108.9	118.2	141.4	0	0	0	0	0	120.5
109	K	20.8	Very low	21.4	Very low	211 Å²	211	141.8 Å²	141.8	92%	0.917	83%	0.832	S	S	*	*			trans	73.7	109.3	141.7	-68.6	-171	178.3	-176.4	0	121.7
110	G	20.4	Very low	21.4	Very low	75 Å²	75	142.4 Å²	142.4	77%	0.773	83%	0.831	S	S	*	*				70.9	110.5	110.7	0	0	0	0	0	120.8
111	S	20	Very low	21.4	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	83%	0.826	S	S	*	*				157.7	132.7	112.6	70	0	0	0	0	114
112	V	20.3	Very low	21.4	Very low	127 Å²	127	144.7 Å²	144.7	77%	0.77	83%	0.829	S	S	*	*			trans	47.1	118.3	132.1	-170.4	0	0	0	0	121.3
113	S	22.2	Very low	21.5	Very low	102 Å²	102	146.5 Å²	146.5	71%	0.713	83%	0.828	S	S	*	*			trans	59.7	124.5	142.8	-55.9	0	0	0	0	122
114	K	22	Very low	21.6	Very low	207 Å²	207	148 Å²	148	90%	0.9	83%	0.834	S	S	*	*				169.5	144.8	96.3	-91.2	-177.1	-177.3	172.6	0	111.6
115	K	23.2	Very low	21.7	Very low	209 Å²	209	140.5 Å²	140.5	91%	0.909	83%	0.825	S	S	*	*			trans	-60.6	138.8	173.4	-163.2	178.7	-170.3	177.3	0	111.7
116	A	21.1	Very low	21.9	Very low	103 Å²	103	142 Å²	142	85%	0.851	83%	0.834	S	S	*	*			trans	-156.4	133.5	151.5	0	0	0	0	0	111.8
117	K	22.4	Very low	22	Very low	197 Å²	197	140.7 Å²	140.7	86%	0.857	83%	0.825	S	S	*	*			trans	-63.6	153.8	178.8	-72	170.3	165.4	-177.2	0	112.6
118	K	21.9	Very low	22.1	Very low	212 Å²	212	143 Å²	143	92%	0.922	82%	0.823	S	S	*	*			trans	-146.8	132.6	142.8	-152.8	172.1	-176.5	178.9	0	111.1
119	E	19.4	Very low	22.6	Very low	172 Å²	172	145.1 Å²	145.1	80%	0.804	83%	0.827	S	S	*	*			trans	-78.2	159.6	-171.3	-62.8	166.4	157.2	0	0	113.2
120	V	22.4	Very low	23.5	Very low	140 Å²	140	138.7 Å²	138.7	85%	0.848	80%	0.8	S	S	*	*			trans	-138.1	146	167.4	172	0	0	0	0	106.3
121	P	22.6	Very low	24.8	Very low	117 Å²	117	139 Å²	139	76%	0.76	79%	0.79	S	S	*	*			trans	-88.9	163.6	-135.1	34	-34.8	0	0	0	115.8
122	L	23.1	Very low	26.6	Very low	177 Å²	177	137.9 Å²	137.9	93%	0.927	77%	0.772	S	S	*	*			trans	-56	123.7	174.4	-73.9	141.1	0	0	0	112.3
123	D	22	Very low	28.8	Very low	164 Å²	164	134 Å²	134	88%	0.877	75%	0.747	S	S	*	*			trans	-132.3	136.7	146.7	-116.9	-15.6	0	0	0	109.2
124	S	25.3	Very low	30.8	Very low	122 Å²	122	130.5 Å²	130.5	85%	0.853	72%	0.722	S	S	*	*			trans	-74.2	129.3	-163.7	56.5	0	0	0	0	113.8
125	G	21.6	Very low	32.2	Very low	68 Å²	68	125.4 Å²	125.4	70%	0.701	71%	0.712	S	S	*	*			trans	170.5	105.9	165.8	0	0	0	0	0	111.4	S127	G125-S127 PolarHBondContact O-N 3.49Å
126	C	26.2	Very low	33.8	Very low	131 Å²	131	119.2 Å²	119.2	89%	0.885	69%	0.686	S	S	*	*			trans	-54	120.1	-172.1	-161.3	0	0	0	0	113.7
127	S	23	Very low	35	Very low	100 Å²	100	118.4 Å²	118.4	70%	0.699	67%	0.668	S	S	*	*			trans	-139.6	92.7	161.5	66.6	0	0	0	0	109.6	G125 T129	G125-S127 PolarHBondContact O-N 3.49Å; S127-T129 PolarHBondContact O-N 3.22Å
128	E	24.5	Very low	36.1	Very low	165 Å²	165	114.2 Å²	114.2	77%	0.771	66%	0.655	S	S	*	*			trans	-61.8	116.3	158.8	-68.2	-172.4	163.8	0	0	107.2	E130	E128-E130 PolarHBondContact O-N 3.27Å
129	T	29.1	Very low	37.2	Very low	135 Å²	135	108.7 Å²	108.7	83%	0.828	64%	0.643	S	S	*	*			trans	-71.1	84.3	171.4	47.1	0	0	0	0	108.3	S127 S131	S127-T129 PolarHBondContact O-N 3.22Å; T129-S131 PolarHBondContact O-N 3.39Å
130	E	40	Very low	38.6	Very low	75 Å²	75	107.5 Å²	107.5	35%	0.35	64%	0.635	S	S	.	*			trans	-65.3	121.4	169.2	-72.4	-168.7	165.9	0	0	108.9	E128 G348 L351	E128-E130 PolarHBondContact O-N 3.27Å; E130-G348 WeakPolarHBondContact OE1-CA 3.22Å; E130-L351 HydrophobicContact CB-CD1 3.53Å; E130-L351 HydrophobicContact CB-CG 4.21Å; E130-L351 WeakPolarHBondContact O-CD1 3.46Å; E130-L351 WeakPolarHBondContact OE2-CG 3.45Å
131	S	49	Very low	40.3	Very low	81 Å²	81	103.6 Å²	103.6	57%	0.566	61%	0.606	S	S	*	*			trans	-72.6	140.2	172.6	53.8	0	0	0	0	110.5	T129 L133	T129-S131 PolarHBondContact O-N 3.39Å; S131-L133 PolarHBondContact O-N 3Å; S131-L133 PolarHBondContact OG-O 3.24Å
132	E	57.2	Low	42	Very low	92 Å²	92	101.8 Å²	101.8	43%	0.43	59%	0.594	S	S	.	*	S	Bend	trans	-60.3	-20.6	-176.3	-169.2	168.6	-157.5	0	0	113.5	K287	E132-K287 IonicContact OE1-NZ 3.07Å; E132-K287 PolarHBondContact OE1-NZ 3.35Å
133	L	66.3	Low	43.4	Very low	46 Å²	46	100.8 Å²	100.8	24%	0.241	59%	0.59	C	S	.	*	S	Bend	trans	-119	145.5	171	-60.4	170.6	0	0	0	109.7	S131 L281 A284	S131-L133 PolarHBondContact O-N 3Å; S131-L133 PolarHBondContact OG-O 3.24Å; L133-L281 HydrophobicContact CD2-CD2 3.65Å; L133-A284 HydrophobicContact CD2-CB 4.11Å
134	P	65.1	Low	45.1	Very low	28 Å²	28	98.1 Å²	98.1	18%	0.182	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-69	140.7	176.8	0	12.6	0	0	0	111	R241 H277 Q280 L281	P134-R241 PolarHBondContact O-NH2 3.3Å; P134-H277 VanDerWaalsContact CB-CE1 3.48Å; P134-H277 WeakPolarHBondContact CB-CE1 3.47Å; P134-H277 WeakPolarHBondContact CB-ND1 3.46Å; P134-Q280 HydrophobicContact CG-CB 4.17Å; P134-L281 HydrophobicContact CG-CG 4.49Å
135	S	51.1	Low	46.9	Very low	100 Å²	100	92.9 Å²	92.9	70%	0.699	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-57.6	140.5	-175.4	54.9	0	0	0	0	113.1
136	E	56.8	Low	48.8	Very low	78 Å²	78	95.1 Å²	95.1	36%	0.364	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-72.3	128.7	171.1	-65.6	-163.5	159.9	0	0	110	R241	E136-R241 VanDerWaalsContact CD-NH1 3.29Å; E136-R241 WeakPolarHBondContact OE1-CD 3.43Å; E136-R241 IonicContact OE1-CZ 2.67Å; E136-R241 IonicContact OE1-NE 3.47Å; E136-R241 IonicContact OE1-NH1 3.32Å; E136-R241 PolarHBondContact OE1-NH1 3Å
137	D	46.7	Very low	50.5	Low	86 Å²	86	93.4 Å²	93.4	46%	0.46	51%	0.512	S	S	.	.			trans	-101.4	81.2	170.4	-166.3	8.5	0	0	0	106.5	S139 K140	D137-S139 PolarHBondContact O-N 3.4Å; D137-S139 PolarHBondContact OD1-OG 3.34Å; D137-K140 PolarHBondContact O-N 3.14Å; D137-K140 IonicContact OD2-NZ 3.74Å; D137-K140 PolarHBondContact OD2-NZ 3.32Å
138	D	45.1	Very low	52.4	Low	110 Å²	110	91.9 Å²	91.9	59%	0.588	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-57.4	-12.3	-177.4	-75.6	-28.7	0	0	0	113.4	K140	D138-K140 VanDerWaalsContact C-N 3.25Å; D138-K140 PolarHBondContact O-N 3.29Å
139	S	45.3	Very low	54.4	Low	96 Å²	96	84.4 Å²	84.4	67%	0.671	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-74.5	-4.3	178.8	72.6	0	0	0	0	115.1	D137	D137-S139 PolarHBondContact O-N 3.4Å; D137-S139 PolarHBondContact OD1-OG 3.34Å
140	K	48.6	Very low	56.2	Low	146 Å²	146	84 Å²	84	64%	0.635	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-101.4	-5.8	-175.2	-95.2	173.5	-176.7	137.2	0	115.9	D137 D138	D137-K140 PolarHBondContact O-N 3.14Å; D137-K140 IonicContact OD2-NZ 3.74Å; D137-K140 PolarHBondContact OD2-NZ 3.32Å; D138-K140 VanDerWaalsContact C-N 3.25Å; D138-K140 PolarHBondContact O-N 3.29Å
141	Y	58.8	Low	57.6	Low	59 Å²	59	84.1 Å²	84.1	23%	0.231	45%	0.45	C	S	.	.	S	Bend	trans	-80.7	134.8	-177.5	-66.4	-60.8	0	0	0	110.8	D143 I145 L187 L191	Y141-D143 PolarHBondContact O-N 3.41Å; Y141-I145 HydrophobicContact CD1-CD1 4.06Å; Y141-I145 HydrophobicContact CG-CD1 4.35Å; Y141-L187 HydrophobicContact CD1-CD2 4.34Å; Y141-L191 HydrophobicContact CD1-CD1 4.33Å; Y141-L191 HydrophobicContact CE1-CD1 4.05Å
142	P	56.6	Low	58.5	Low	79 Å²	79	80.2 Å²	80.2	51%	0.513	42%	0.423	S	S	.	.			trans	-49.6	133.3	169.6	-22.2	18	0	0	0	112.3	D144 I145	P142-D144 PolarHBondContact O-N 3.21Å; P142-I145 HydrophobicContact CB-CD1 4.11Å; P142-I145 HydrophobicContact CB-CG1 4.23Å; P142-I145 HydrophobicContact CG-CD1 3.78Å; P142-I145 HydrophobicContact CG-CG1 4.35Å; P142-I145 WeakPolarHBondContact O-CB 3.3Å; P142-I145 WeakPolarHBondContact O-CG1 3.37Å; P142-I145 PolarHBondContact O-N 3.22Å
143	D	52.6	Low	58.8	Low	156 Å²	156	79.7 Å²	79.7	83%	0.834	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.9	-177.4	-70.1	-40.5	0	0	0	113.4	Y141 I145	Y141-D143 PolarHBondContact O-N 3.41Å; D143-I145 VanDerWaalsContact C-N 3.29Å; D143-I145 PolarHBondContact O-N 3.18Å
144	D	58.3	Low	58.9	Low	108 Å²	108	80.6 Å²	80.6	58%	0.578	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-8	179	-61.8	-20.2	0	0	0	114.5	P142 D147 K148	P142-D144 PolarHBondContact O-N 3.21Å; D144-D147 PolarHBondContact O-N 3.02Å; D144-K148 WeakPolarHBondContact O-CG 3.4Å; D144-K148 PolarHBondContact O-N 3.37Å
145	I	62.5	Low	58.4	Low	12 Å²	12	84.4 Å²	84.4	6%	0.062	45%	0.453	C	S	.	.	H	α-helix	trans	-68.3	-36.4	-175.2	-77	171.6	0	0	0	112	Y141 P142 D143 D147 K148 M149 L187 L191	Y141-I145 HydrophobicContact CD1-CD1 4.06Å; Y141-I145 HydrophobicContact CG-CD1 4.35Å; P142-I145 HydrophobicContact CB-CD1 4.11Å; P142-I145 HydrophobicContact CB-CG1 4.23Å; P142-I145 HydrophobicContact CG-CD1 3.78Å; P142-I145 HydrophobicContact CG-CG1 4.35Å; P142-I145 WeakPolarHBondContact O-CB 3.3Å; P142-I145 WeakPolarHBondContact O-CG1 3.37Å; P142-I145 PolarHBondContact O-N 3.22Å; D143-I145 VanDerWaalsContact C-N 3.29Å; D143-I145 PolarHBondContact O-N 3.18Å; I145-D147 VanDerWaalsContact C-N 3.3Å; I145-D147 PolarHBondContact O-N 2.91Å; I145-K148 PolarHBondContact O-N 3.05Å; I145-M149 HydrophobicContact CG2-CE 3.99Å; I145-M149 WeakPolarHBondContact O-CG 3.26Å; I145-M149 PolarHBondContact O-N 3.4Å; I145-L187 HydrophobicContact CD1-CD2 3.82Å; I145-L191 HydrophobicContact CG2-CD1 4.22Å
146	E	62.3	Low	58.7	Low	115 Å²	115	87.3 Å²	87.3	54%	0.537	45%	0.448	S	S	.	.	H	α-helix	trans	-68.3	-34	178.7	-161.9	123	-120.1	0	0	111.4	M149 K150 R195	E146-M149 PolarHBondContact O-N 3.36Å; E146-K150 PolarHBondContact O-N 3.5Å; E146-R195 IonicContact OE1-CZ 2.88Å; E146-R195 IonicContact OE1-NH1 3.61Å; E146-R195 PolarHBondContact OE1-NH1 2.9Å; E146-R195 IonicContact OE1-NH2 3.41Å
147	D	61.9	Low	58.8	Low	95 Å²	95	83.9 Å²	83.9	51%	0.508	43%	0.433	S	S	.	.	H	α-helix	trans	-71	-37	173.3	-77.1	-24.4	0	0	0	112.3	D144 I145 K150	D144-D147 PolarHBondContact O-N 3.02Å; I145-D147 VanDerWaalsContact C-N 3.3Å; I145-D147 PolarHBondContact O-N 2.91Å; D147-K150 WeakPolarHBondContact O-CB 3.5Å; D147-K150 PolarHBondContact O-N 3Å; D147-K150 IonicContact OD1-NZ 3.55Å; D147-K150 PolarHBondContact OD1-NZ 3.43Å
148	K	63.8	Low	59.3	Low	67 Å²	67	85.5 Å²	85.5	29%	0.291	44%	0.438	S	S	.	.	H	α-helix	trans	-69.6	-31	172.8	-70.2	-176.2	-180	-169.4	0	112.9	D144 I145 K150 V151 D182 A184	D144-K148 WeakPolarHBondContact O-CG 3.4Å; D144-K148 PolarHBondContact O-N 3.37Å; I145-K148 PolarHBondContact O-N 3.05Å; K148-K150 VanDerWaalsContact C-N 3.28Å; K148-K150 PolarHBondContact O-N 2.84Å; K148-V151 WeakPolarHBondContact O-CB 3.44Å; K148-V151 WeakPolarHBondContact O-CG2 3.49Å; K148-V151 PolarHBondContact O-N 3.41Å; K148-D182 IonicContact NZ-OD2 3.78Å; K148-A184 HydrophobicContact CD-CB 4.23Å
149	M	64.8	Low	59.9	Low	8 Å²	8	82.4 Å²	82.4	4%	0.039	43%	0.432	C	S	.	.	H	α-helix	trans	-63.9	-30.6	172.8	-78.2	-179.3	177.9	0	0	113.1	I145 E146 V151 F152 L191 R195	I145-M149 HydrophobicContact CG2-CE 3.99Å; I145-M149 WeakPolarHBondContact O-CG 3.26Å; I145-M149 PolarHBondContact O-N 3.4Å; E146-M149 PolarHBondContact O-N 3.36Å; M149-V151 PolarHBondContact O-N 2.91Å; M149-V151 VanDerWaalsContact O-N 3.15Å; M149-F152 PolarHBondContact O-N 3.38Å; M149-L191 HydrophobicContact CE-CB 3.18Å; M149-L191 HydrophobicContact CE-CD1 3.74Å; M149-L191 HydrophobicContact CE-CG 4.11Å; M149-R195 PolarHBondContact SD-NH1 3.39Å; M149-R195 VanDerWaalsContact SD-NH1 3.36Å
150	K	67.1	Low	60.4	Low	126 Å²	126	88.7 Å²	88.7	55%	0.548	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-60.6	-23.8	178.1	-68	170.8	-173.5	162.7	0	112.8	E146 D147 K148 F152 N153	E146-K150 PolarHBondContact O-N 3.5Å; D147-K150 WeakPolarHBondContact O-CB 3.5Å; D147-K150 PolarHBondContact O-N 3Å; D147-K150 IonicContact OD1-NZ 3.55Å; D147-K150 PolarHBondContact OD1-NZ 3.43Å; K148-K150 VanDerWaalsContact C-N 3.28Å; K148-K150 PolarHBondContact O-N 2.84Å; K150-F152 PolarHBondContact O-N 3.29Å; K150-N153 WeakPolarHBondContact O-CB 2.96Å; K150-N153 PolarHBondContact O-N 3.07Å; K150-N153 VanDerWaalsContact O-N 3.07Å
151	V	69.2	Low	61.3	Low	78 Å²	78	85.2 Å²	85.2	47%	0.473	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-60.2	-31.5	175	-178.9	0	0	0	0	111.7	K148 M149	K148-V151 WeakPolarHBondContact O-CB 3.44Å; K148-V151 WeakPolarHBondContact O-CG2 3.49Å; K148-V151 PolarHBondContact O-N 3.41Å; M149-V151 PolarHBondContact O-N 2.91Å; M149-V151 VanDerWaalsContact O-N 3.15Å
152	F	68.9	Low	62	Low	0 Å²	0	84.9 Å²	84.9	0%	0	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-88	-11.7	178.5	-56.4	-74.9	0	0	0	113.2	M149 K150 N154 V170 I173 L185 A189 F192	M149-F152 PolarHBondContact O-N 3.38Å; K150-F152 PolarHBondContact O-N 3.29Å; F152-N154 PolarHBondContact O-N 3.37Å; F152-V170 HydrophobicContact CD1-CG1 3.86Å; F152-V170 HydrophobicContact CE1-CG1 4.12Å; F152-I173 HydrophobicContact CD1-CB 4.49Å; F152-I173 HydrophobicContact CD1-CG2 4.06Å; F152-I173 HydrophobicContact CE1-CB 4.35Å; F152-I173 HydrophobicContact CE1-CG2 3.78Å; F152-L185 HydrophobicContact CE2-CD2 4.39Å; F152-L185 HydrophobicContact CZ-CD2 4.13Å; F152-A189 HydrophobicContact CE1-CB 4.07Å; F152-A189 HydrophobicContact CE2-CB 3.96Å; F152-A189 HydrophobicContact CZ-CB 3.6Å; F152-F192 HydrophobicContact CB-CD1 3.61Å; F152-F192 HydrophobicContact CB-CD2 4.32Å; F152-F192 HydrophobicContact CB-CE1 3.68Å; F152-F192 HydrophobicContact CB-CE2 4.4Å; F152-F192 HydrophobicContact CB-CG 3.94Å; F152-F192 HydrophobicContact CB-CZ 4.09Å; F152-F192 HydrophobicContact CG-CD1 4.36Å
153	N	64.1	Low	62.8	Low	81 Å²	81	82.7 Å²	82.7	43%	0.433	42%	0.422	S	S	.	.			trans	-80.2	50.5	170.2	-88.2	-33.8	0	0	0	112.2	K150 F192	K150-N153 WeakPolarHBondContact O-CB 2.96Å; K150-N153 PolarHBondContact O-N 3.07Å; K150-N153 VanDerWaalsContact O-N 3.07Å; N153-F192 WeakPolarHBondContact OD1-CE2 3.3Å
154	N	66.6	Low	63.9	Low	65 Å²	65	76.8 Å²	76.8	35%	0.348	39%	0.39	S	S	.	.			trans	-91	149.1	179.6	-162.8	-52.5	0	0	0	110.8	F152 R156 V157 Q158	F152-N154 PolarHBondContact O-N 3.37Å; N154-R156 PolarHBondContact O-N 2.89Å; N154-R156 PolarHBondContact OD1-N 3.18Å; N154-V157 PolarHBondContact O-N 3.13Å; N154-Q158 PolarHBondContact O-N 3.15Å
155	P	55.8	Low	64.9	Low	107 Å²	107	75.7 Å²	75.7	70%	0.695	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-18.1	170.7	16.1	-31.8	0	0	0	115.2	V157	P155-V157 VanDerWaalsContact C-N 3.34Å
156	R	56.6	Low	65.7	Low	161 Å²	161	77 Å²	77	61%	0.608	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-29	170.7	-67.7	-174	180	167.5	1.9	113.8	N154 K161	N154-R156 PolarHBondContact O-N 2.89Å; N154-R156 PolarHBondContact OD1-N 3.18Å; R156-K161 WeakPolarHBondContact O-CE 3.44Å; R156-K161 PolarHBondContact O-NZ 3.03Å
157	V	59.7	Low	66.5	Low	6 Å²	6	71.6 Å²	71.6	4%	0.036	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-30.1	177.7	-177.6	0	0	0	0	110.5	N154 P155 G159 K166 E169 V170 I173 F192	N154-V157 PolarHBondContact O-N 3.13Å; P155-V157 VanDerWaalsContact C-N 3.34Å; V157-G159 PolarHBondContact O-N 3.19Å; V157-K166 HydrophobicContact CG1-CB 4.27Å; V157-K166 HydrophobicContact CG1-CG 4.28Å; V157-K166 VanDerWaalsContact O-CE 3.31Å; V157-K166 WeakPolarHBondContact O-CE 3.45Å; V157-E169 HydrophobicContact CG2-CB 4.1Å; V157-V170 HydrophobicContact CG2-CG2 4.5Å; V157-I173 HydrophobicContact CG2-CD1 4.27Å; V157-F192 HydrophobicContact CG1-CE1 4.21Å; V157-F192 HydrophobicContact CG1-CZ 4.34Å
158	Q	56.8	Low	67.4	Low	121 Å²	121	67.3 Å²	67.3	57%	0.565	34%	0.34	S	S	*	.	S	Bend	trans	-85.2	102.4	176.2	-63.7	-174.2	-5.6	0	0	111.6	N154	N154-Q158 PolarHBondContact O-N 3.15Å
159	G	57.7	Low	68.2	Low	45 Å²	45	66.5 Å²	66.5	46%	0.464	34%	0.337	S	S	.	.	S	Bend	trans	179.5	-178.2	176.1	0	0	0	0	0	112.4	V157 K161	V157-G159 PolarHBondContact O-N 3.19Å; G159-K161 PolarHBondContact O-N 3.31Å
160	K	55.2	Low	69	Low	227 Å²	227	66.2 Å²	66.2	99%	0.987	34%	0.335	S	S	*	.	S	Bend	trans	-73.4	47.2	170.4	-68.2	-175	179	179.3	0	111.7
161	K	67.5	Low	69.8	Low	73 Å²	73	60.2 Å²	60.2	32%	0.317	31%	0.31	S	S	.	.			trans	-92.4	147.4	172.8	-69.8	-175.7	176.1	178.7	0	109.9	R156 G159 E165 K166 E169	R156-K161 WeakPolarHBondContact O-CE 3.44Å; R156-K161 PolarHBondContact O-NZ 3.03Å; G159-K161 PolarHBondContact O-N 3.31Å; K161-E165 HydrophobicContact CB-CB 4.19Å; K161-K166 HydrophobicContact CB-CG 4.15Å; K161-K166 WeakPolarHBondContact O-CE 3.45Å; K161-E169 IonicContact NZ-OE1 2.84Å; K161-E169 PolarHBondContact NZ-OE1 3.32Å
162	S	73.7	Confident	70.3	Confident	52 Å²	52	58.4 Å²	58.4	36%	0.364	30%	0.297	S	S	.	.			trans	-62.8	158.8	172.9	65	0	0	0	0	111.1	L164 E165 K166	S162-L164 PolarHBondContact O-N 2.89Å; S162-E165 PolarHBondContact N-OE2 3.38Å; S162-E165 PolarHBondContact O-N 3.46Å; S162-E165 VanDerWaalsContact OG-CG 3.23Å; S162-E165 WeakPolarHBondContact OG-CG 3.2Å; S162-E165 PolarHBondContact OG-N 2.99Å; S162-E165 PolarHBondContact OG-OE2 3.46Å; S162-K166 WeakPolarHBondContact O-CG 3.37Å; S162-K166 PolarHBondContact O-N 2.8Å; S162-K166 VanDerWaalsContact O-N 3.15Å
163	L	73.3	Confident	70.9	Confident	34 Å²	34	60.5 Å²	60.5	18%	0.178	31%	0.308	C	S	.	.	H	α-helix	trans	-58	-40.2	179.5	-135.5	163.9	0	0	0	111	K166 L167 L197	L163-K166 PolarHBondContact O-N 3.44Å; L163-L167 HydrophobicContact CD2-CD1 4.45Å; L163-L167 HydrophobicContact CD2-CG 4.37Å; L163-L167 WeakPolarHBondContact O-CG 3.45Å; L163-L167 PolarHBondContact O-N 3.36Å; L163-L197 HydrophobicContact CD2-CD2 3.76Å
164	L	77.2	Confident	71.7	Confident	32 Å²	32	56.9 Å²	56.9	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-42.4	178.7	-171.4	62.4	0	0	0	113	S162 K166 L167 G168 A213 I216 W252	S162-L164 PolarHBondContact O-N 2.89Å; L164-K166 VanDerWaalsContact C-N 3.31Å; L164-K166 PolarHBondContact O-N 3.21Å; L164-L167 HydrophobicContact CD1-CD1 4.47Å; L164-L167 WeakPolarHBondContact O-CB 3.45Å; L164-L167 PolarHBondContact O-N 3.4Å; L164-G168 PolarHBondContact O-N 2.69Å; L164-A213 HydrophobicContact CD2-CB 3.79Å; L164-I216 HydrophobicContact CD1-CG2 4.03Å; L164-I216 HydrophobicContact CG-CB 4.36Å; L164-I216 HydrophobicContact CG-CG2 3.85Å; L164-I216 VanDerWaalsContact O-CG2 3.26Å; L164-I216 WeakPolarHBondContact O-CG2 3.29Å; L164-W252 HydrophobicContact CD1-CH2 3.53Å; L164-W252 HydrophobicContact CD1-CZ2 3.64Å
165	E	78.4	Confident	72.2	Confident	84 Å²	84	58.3 Å²	58.3	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-37	176.5	-71.6	164.6	148.1	0	0	111.9	K161 S162 G168 E169 I216	K161-E165 HydrophobicContact CB-CB 4.19Å; S162-E165 PolarHBondContact N-OE2 3.38Å; S162-E165 PolarHBondContact O-N 3.46Å; S162-E165 VanDerWaalsContact OG-CG 3.23Å; S162-E165 WeakPolarHBondContact OG-CG 3.2Å; S162-E165 PolarHBondContact OG-N 2.99Å; S162-E165 PolarHBondContact OG-OE2 3.46Å; E165-G168 PolarHBondContact O-N 3.34Å; E165-E169 VanDerWaalsContact O-CG 3.26Å; E165-E169 WeakPolarHBondContact O-CG 3.28Å; E165-E169 PolarHBondContact O-N 2.96Å; E165-I216 HydrophobicContact CG-CD1 4.23Å
166	K	78.9	Confident	72.8	Confident	41 Å²	41	61.2 Å²	61.2	18%	0.178	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-41.1	174.2	-68.2	177.1	-178.4	177.9	0	111.7	V157 K161 S162 L163 L164 G168 E169 V170	V157-K166 HydrophobicContact CG1-CB 4.27Å; V157-K166 HydrophobicContact CG1-CG 4.28Å; V157-K166 VanDerWaalsContact O-CE 3.31Å; V157-K166 WeakPolarHBondContact O-CE 3.45Å; K161-K166 HydrophobicContact CB-CG 4.15Å; K161-K166 WeakPolarHBondContact O-CE 3.45Å; S162-K166 WeakPolarHBondContact O-CG 3.37Å; S162-K166 PolarHBondContact O-N 2.8Å; S162-K166 VanDerWaalsContact O-N 3.15Å; L163-K166 PolarHBondContact O-N 3.44Å; L164-K166 VanDerWaalsContact C-N 3.31Å; L164-K166 PolarHBondContact O-N 3.21Å; K166-G168 VanDerWaalsContact C-N 3.35Å; K166-E169 PolarHBondContact O-N 3.41Å; K166-V170 WeakPolarHBondContact O-CG2 3.07Å; K166-V170 PolarHBondContact O-N 2.9Å; K166-V170 VanDerWaalsContact O-N 3.15Å
167	L	80.3	Confident	72.8	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-45.9	172.9	-64.5	173.6	0	0	0	111	L163 L164 E169 V170 V171 I193 V220 L246 W252	L163-L167 HydrophobicContact CD2-CD1 4.45Å; L163-L167 HydrophobicContact CD2-CG 4.37Å; L163-L167 WeakPolarHBondContact O-CG 3.45Å; L163-L167 PolarHBondContact O-N 3.36Å; L164-L167 HydrophobicContact CD1-CD1 4.47Å; L164-L167 WeakPolarHBondContact O-CB 3.45Å; L164-L167 PolarHBondContact O-N 3.4Å; L167-E169 PolarHBondContact O-N 2.97Å; L167-V170 PolarHBondContact O-N 3.33Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.33Å; L167-V171 PolarHBondContact O-N 3.28Å; L167-I193 HydrophobicContact CD2-CB 4.25Å; L167-I193 HydrophobicContact CD2-CG1 4.08Å; L167-I193 HydrophobicContact CD2-CG2 3.34Å; L167-V220 HydrophobicContact CB-CG2 3.96Å; L167-L246 HydrophobicContact CD1-CD2 4.47Å; L167-W252 HydrophobicContact CD1-CH2 4.37Å
168	G	79.9	Confident	72.5	Confident	4 Å²	4	58.9 Å²	58.9	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-40.3	177.9	0	0	0	0	0	113.8	L164 E165 K166 V171 D172	L164-G168 PolarHBondContact O-N 2.69Å; E165-G168 PolarHBondContact O-N 3.34Å; K166-G168 VanDerWaalsContact C-N 3.35Å; G168-V171 PolarHBondContact O-N 2.89Å; G168-D172 WeakPolarHBondContact O-CB 3.42Å; G168-D172 PolarHBondContact O-N 3.01Å
169	E	80.9	Confident	72.4	Confident	51 Å²	51	54.7 Å²	54.7	24%	0.238	30%	0.304	C	S	.	.	H	α-helix	trans	-66.9	-40.1	177.5	-67.5	-84.2	-165.6	0	0	112	V157 K161 E165 K166 L167 V171 D172 I173	V157-E169 HydrophobicContact CG2-CB 4.1Å; K161-E169 IonicContact NZ-OE1 2.84Å; K161-E169 PolarHBondContact NZ-OE1 3.32Å; E165-E169 VanDerWaalsContact O-CG 3.26Å; E165-E169 WeakPolarHBondContact O-CG 3.28Å; E165-E169 PolarHBondContact O-N 2.96Å; K166-E169 PolarHBondContact O-N 3.41Å; L167-E169 PolarHBondContact O-N 2.97Å; E169-V171 VanDerWaalsContact C-N 3.34Å; E169-D172 PolarHBondContact O-N 3.42Å; E169-I173 WeakPolarHBondContact O-CD1 3.44Å; E169-I173 WeakPolarHBondContact O-CG1 3.47Å; E169-I173 PolarHBondContact O-N 3.04Å
170	V	81.8	Confident	72.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-42.6	174.8	175.8	0	0	0	0	110.6	F152 V157 K166 L167 I173 L174 A189 F192 I193	F152-V170 HydrophobicContact CD1-CG1 3.86Å; F152-V170 HydrophobicContact CE1-CG1 4.12Å; V157-V170 HydrophobicContact CG2-CG2 4.5Å; K166-V170 WeakPolarHBondContact O-CG2 3.07Å; K166-V170 PolarHBondContact O-N 2.9Å; K166-V170 VanDerWaalsContact O-N 3.15Å; L167-V170 PolarHBondContact O-N 3.33Å; V170-I173 PolarHBondContact O-N 3.17Å; V170-L174 PolarHBondContact O-N 3.21Å; V170-A189 HydrophobicContact CG1-CB 4.31Å; V170-F192 HydrophobicContact CG2-CD1 3.93Å; V170-F192 HydrophobicContact CG2-CE1 3.83Å; V170-I193 HydrophobicContact CB-CD1 4.39Å; V170-I193 HydrophobicContact CB-CG1 4.34Å; V170-I193 HydrophobicContact CG1-CD1 3.8Å; V170-I193 HydrophobicContact CG1-CG1 3.88Å
171	V	82.4	Confident	72.7	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-44.1	175.1	175.8	0	0	0	0	111.2	L167 G168 E169 L174 K175 K219 V220 L223	L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.33Å; L167-V171 PolarHBondContact O-N 3.28Å; G168-V171 PolarHBondContact O-N 2.89Å; E169-V171 VanDerWaalsContact C-N 3.34Å; V171-L174 PolarHBondContact O-N 2.92Å; V171-K175 HydrophobicContact CG1-CD 4.4Å; V171-K175 WeakPolarHBondContact O-CG 3.19Å; V171-K175 PolarHBondContact O-N 2.78Å; V171-K219 HydrophobicContact CG1-CB 4.18Å; V171-V220 HydrophobicContact CG2-CB 4.5Å; V171-V220 HydrophobicContact CG2-CG2 3.85Å; V171-L223 HydrophobicContact CB-CD2 4.3Å; V171-L223 HydrophobicContact CG1-CB 4.37Å; V171-L223 HydrophobicContact CG1-CD2 4.22Å; V171-L223 HydrophobicContact CG2-CD2 3.73Å
172	D	81.5	Confident	73.2	Confident	39 Å²	39	47.6 Å²	47.6	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-68.6	-34.2	-179.6	-78.6	-14.9	0	0	0	112.1	G168 E169 K176 K219	G168-D172 WeakPolarHBondContact O-CB 3.42Å; G168-D172 PolarHBondContact O-N 3.01Å; E169-D172 PolarHBondContact O-N 3.42Å; D172-K176 VanDerWaalsContact O-CB 3.28Å; D172-K176 WeakPolarHBondContact O-CB 3.37Å; D172-K176 VanDerWaalsContact O-CG 3.32Å; D172-K176 WeakPolarHBondContact O-CG 3.26Å; D172-K176 PolarHBondContact O-N 2.9Å; D172-K219 IonicContact OD1-NZ 2.86Å; D172-K219 PolarHBondContact OD1-NZ 3.36Å; D172-K219 IonicContact OD2-NZ 3.65Å; D172-K219 PolarHBondContact OD2-NZ 2.88Å
173	I	80.8	Confident	73.4	Confident	45 Å²	45	47.8 Å²	47.8	23%	0.231	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-46.2	172.7	-69.8	163.8	0	0	0	110.2	F152 V157 E169 V170 K175 G177	F152-I173 HydrophobicContact CD1-CB 4.49Å; F152-I173 HydrophobicContact CD1-CG2 4.06Å; F152-I173 HydrophobicContact CE1-CB 4.35Å; F152-I173 HydrophobicContact CE1-CG2 3.78Å; V157-I173 HydrophobicContact CG2-CD1 4.27Å; E169-I173 WeakPolarHBondContact O-CD1 3.44Å; E169-I173 WeakPolarHBondContact O-CG1 3.47Å; E169-I173 PolarHBondContact O-N 3.04Å; V170-I173 PolarHBondContact O-N 3.17Å; I173-K175 VanDerWaalsContact C-N 3.33Å; I173-K175 PolarHBondContact O-N 3.01Å; I173-G177 PolarHBondContact O-N 3.37Å
174	L	80.8	Confident	73.6	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-39	179.6	-168.9	70.2	0	0	0	111.9	V170 V171 A189 L223	V170-L174 PolarHBondContact O-N 3.21Å; V171-L174 PolarHBondContact O-N 2.92Å; L174-A189 HydrophobicContact CD1-CB 4.21Å; L174-A189 HydrophobicContact CD2-CB 4.41Å; L174-L223 HydrophobicContact CD2-CD1 3.59Å; L174-L223 HydrophobicContact CD2-CD2 3.74Å; L174-L223 HydrophobicContact CD2-CG 4.27Å
175	K	76.8	Confident	73.7	Confident	95 Å²	95	47.8 Å²	47.8	41%	0.413	29%	0.288	S	S	.	.	H	α-helix	trans	-79.1	-32.5	-179.9	-70.7	-166.4	174.8	-164.2	0	114.4	V171 I173	V171-K175 HydrophobicContact CG1-CD 4.4Å; V171-K175 WeakPolarHBondContact O-CG 3.19Å; V171-K175 PolarHBondContact O-N 2.78Å; I173-K175 VanDerWaalsContact C-N 3.33Å; I173-K175 PolarHBondContact O-N 3.01Å
176	K	68.9	Low	73.9	Confident	168 Å²	168	44.6 Å²	44.6	73%	0.73	27%	0.273	S	S	*	.	H	α-helix	trans	-79.6	-20.2	-178.1	-76.9	177.1	178.7	171.6	0	114.3	D172 G178	D172-K176 VanDerWaalsContact O-CB 3.28Å; D172-K176 WeakPolarHBondContact O-CB 3.37Å; D172-K176 VanDerWaalsContact O-CG 3.32Å; D172-K176 WeakPolarHBondContact O-CG 3.26Å; D172-K176 PolarHBondContact O-N 2.9Å; K176-G178 PolarHBondContact O-N 3.37Å
177	G	56.1	Low	74.1	Confident	48 Å²	48	43.1 Å²	43.1	50%	0.495	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.5	-172.2	0	0	0	0	0	116.8	I173 S179	I173-G177 PolarHBondContact O-N 3.37Å; G177-S179 VanDerWaalsContact C-OG 3.29Å; G177-S179 PolarHBondContact O-N 3.19Å; G177-S179 PolarHBondContact O-OG 2.65Å
178	G	54.3	Low	74.1	Confident	69 Å²	69	43 Å²	43	71%	0.711	27%	0.267	S	S	*	.	S	Bend	trans	62	7.7	-167	0	0	0	0	0	113.4	K176	K176-G178 PolarHBondContact O-N 3.37Å
179	S	54.7	Low	74.2	Confident	33 Å²	33	43 Å²	43	23%	0.231	27%	0.266	C	S	.	.			trans	-97.1	9.4	-172.2	-28	0	0	0	0	112.9	G177 S181 D182	G177-S179 VanDerWaalsContact C-OG 3.29Å; G177-S179 PolarHBondContact O-N 3.19Å; G177-S179 PolarHBondContact O-OG 2.65Å; S179-S181 PolarHBondContact O-N 3.29Å; S179-D182 PolarHBondContact O-N 3.09Å
180	A	56.8	Low	74.4	Confident	41 Å²	41	40.6 Å²	40.6	34%	0.339	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.5	-179.4	0	0	0	0	0	113.1	Q186	A180-Q186 PolarHBondContact O-NE2 2.93Å
181	S	62.2	Low	74.4	Confident	103 Å²	103	41.1 Å²	41.1	72%	0.72	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-4.8	178.7	57.3	0	0	0	0	115.2	S179 P183	S179-S181 PolarHBondContact O-N 3.29Å; S181-P183 VanDerWaalsContact O-CD 3.3Å; S181-P183 WeakPolarHBondContact O-CD 3.17Å
182	D	78.5	Confident	74.4	Confident	52 Å²	52	41.9 Å²	41.9	28%	0.278	26%	0.26	S	S	.	.			trans	-86.4	110.7	177	178	7.7	0	0	0	110.5	K148 S179 A184 L185 Q186	K148-D182 IonicContact NZ-OD2 3.78Å; S179-D182 PolarHBondContact O-N 3.09Å; D182-A184 PolarHBondContact O-N 3.37Å; D182-A184 WeakPolarHBondContact OD1-CB 3.35Å; D182-A184 PolarHBondContact OD1-N 3.15Å; D182-L185 HydrophobicContact CB-CB 4.11Å; D182-L185 HydrophobicContact CB-CD1 4.38Å; D182-L185 PolarHBondContact O-N 3.42Å; D182-L185 VanDerWaalsContact O-N 3.16Å; D182-L185 WeakPolarHBondContact OD2-CD1 3.33Å; D182-Q186 WeakPolarHBondContact O-CG 3.3Å; D182-Q186 PolarHBondContact O-N 3Å
183	P	76.4	Confident	74.4	Confident	57 Å²	57	40.4 Å²	40.4	37%	0.37	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-25.8	-178.2	26.5	-35.2	0	0	0	113.2	S181 L187 V235	S181-P183 VanDerWaalsContact O-CD 3.3Å; S181-P183 WeakPolarHBondContact O-CD 3.17Å; P183-L187 VanDerWaalsContact O-CB 3.25Å; P183-L187 WeakPolarHBondContact O-CB 3.46Å; P183-L187 PolarHBondContact O-N 3.06Å; P183-V235 HydrophobicContact CB-CG2 4.16Å; P183-V235 WeakPolarHBondContact O-CG2 3.44Å
184	A	78.3	Confident	74.6	Confident	28 Å²	28	38.7 Å²	38.7	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-75.8	-33.4	178.4	0	0	0	0	0	112.5	K148 D182 S188	K148-A184 HydrophobicContact CD-CB 4.23Å; D182-A184 PolarHBondContact O-N 3.37Å; D182-A184 WeakPolarHBondContact OD1-CB 3.35Å; D182-A184 PolarHBondContact OD1-N 3.15Å; A184-S188 WeakPolarHBondContact O-CB 3.45Å; A184-S188 PolarHBondContact O-N 3.49Å; A184-S188 VanDerWaalsContact O-N 3.1Å; A184-S188 PolarHBondContact O-OG 3.31Å
185	L	80	Confident	74.6	Confident	37 Å²	37	43.8 Å²	43.8	19%	0.194	26%	0.263	C	S	.	.	H	α-helix	trans	-75.5	-36.8	173.6	-102.7	148.1	0	0	0	111.4	F152 D182 S188 A189	F152-L185 HydrophobicContact CE2-CD2 4.39Å; F152-L185 HydrophobicContact CZ-CD2 4.13Å; D182-L185 HydrophobicContact CB-CB 4.11Å; D182-L185 HydrophobicContact CB-CD1 4.38Å; D182-L185 PolarHBondContact O-N 3.42Å; D182-L185 VanDerWaalsContact O-N 3.16Å; D182-L185 WeakPolarHBondContact OD2-CD1 3.33Å; L185-S188 WeakPolarHBondContact CA-OG 3.38Å; L185-S188 PolarHBondContact O-OG 2.88Å; L185-S188 VanDerWaalsContact O-OG 3.05Å; L185-A189 WeakPolarHBondContact O-CB 3.42Å; L185-A189 PolarHBondContact O-N 3.12Å
186	Q	82.3	Confident	74.8	Confident	18 Å²	18	40.9 Å²	40.9	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-47.7	170.2	-69.4	178.7	-13.1	0	0	111.7	A180 D182 A189 V190 L227 V235	A180-Q186 PolarHBondContact O-NE2 2.93Å; D182-Q186 WeakPolarHBondContact O-CG 3.3Å; D182-Q186 PolarHBondContact O-N 3Å; Q186-A189 PolarHBondContact O-N 3.41Å; Q186-V190 WeakPolarHBondContact O-CG2 3.15Å; Q186-V190 PolarHBondContact O-N 3.3Å; Q186-L227 HydrophobicContact CB-CD2 3.84Å; Q186-L227 VanDerWaalsContact CD-CD2 3.49Å; Q186-L227 HydrophobicContact CG-CD2 3.66Å; Q186-V235 HydrophobicContact CB-CG1 4.26Å; Q186-V235 HydrophobicContact CB-CG2 4.28Å
187	L	82.8	Confident	75.1	Confident	9 Å²	9	32.9 Å²	32.9	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-46.7	179.3	-178.7	59.4	0	0	0	111.9	Y141 I145 P183 A189 V190 L191 D234 V235 S238	Y141-L187 HydrophobicContact CD1-CD2 4.34Å; I145-L187 HydrophobicContact CD1-CD2 3.82Å; P183-L187 VanDerWaalsContact O-CB 3.25Å; P183-L187 WeakPolarHBondContact O-CB 3.46Å; P183-L187 PolarHBondContact O-N 3.06Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.47Å; L187-V190 PolarHBondContact O-N 3.18Å; L187-L191 HydrophobicContact CD1-CD1 4.04Å; L187-L191 HydrophobicContact CD1-CG 4.13Å; L187-L191 HydrophobicContact CG-CD1 3.96Å; L187-L191 HydrophobicContact CG-CG 4.46Å; L187-L191 WeakPolarHBondContact O-CB 3.4Å; L187-L191 WeakPolarHBondContact O-CG 3.47Å; L187-L191 PolarHBondContact O-N 2.95Å; L187-D234 HydrophobicContact CD1-CB 4.46Å; L187-D234 WeakPolarHBondContact CD1-O 3.41Å; L187-D234 HydrophobicContact CD2-CB 4.12Å; L187-V235 HydrophobicContact CB-CG2 4.08Å; L187-S238 WeakPolarHBondContact CD1-OG 3.39Å
188	S	80.3	Confident	76.1	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-35.4	178.4	53.7	0	0	0	0	112.6	A184 L185 F192	A184-S188 WeakPolarHBondContact O-CB 3.45Å; A184-S188 PolarHBondContact O-N 3.49Å; A184-S188 VanDerWaalsContact O-N 3.1Å; A184-S188 PolarHBondContact O-OG 3.31Å; L185-S188 WeakPolarHBondContact CA-OG 3.38Å; L185-S188 PolarHBondContact O-OG 2.88Å; L185-S188 VanDerWaalsContact O-OG 3.05Å; S188-F192 VanDerWaalsContact O-CB 3.22Å; S188-F192 WeakPolarHBondContact O-CB 3.39Å; S188-F192 PolarHBondContact O-N 3.42Å
189	A	82.6	Confident	76.7	Confident	2 Å²	2	39.9 Å²	39.9	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-46.8	172.9	0	0	0	0	0	112.4	F152 V170 L174 L185 Q186 L187 F192 I193	F152-A189 HydrophobicContact CE1-CB 4.07Å; F152-A189 HydrophobicContact CE2-CB 3.96Å; F152-A189 HydrophobicContact CZ-CB 3.6Å; V170-A189 HydrophobicContact CG1-CB 4.31Å; L174-A189 HydrophobicContact CD1-CB 4.21Å; L174-A189 HydrophobicContact CD2-CB 4.41Å; L185-A189 WeakPolarHBondContact O-CB 3.42Å; L185-A189 PolarHBondContact O-N 3.12Å; Q186-A189 PolarHBondContact O-N 3.41Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.47Å; A189-F192 PolarHBondContact O-N 3.4Å; A189-I193 VanDerWaalsContact O-CG1 3.29Å; A189-I193 WeakPolarHBondContact O-CG1 3.2Å; A189-I193 PolarHBondContact O-N 3.33Å
190	V	83.9	Confident	76.4	Confident	1 Å²	1	46 Å²	46	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-44.2	-179.7	173.4	0	0	0	0	111.6	Q186 L187 I193 T194 L227 S238 L242	Q186-V190 WeakPolarHBondContact O-CG2 3.15Å; Q186-V190 PolarHBondContact O-N 3.3Å; L187-V190 PolarHBondContact O-N 3.18Å; V190-I193 PolarHBondContact O-N 3.33Å; V190-T194 WeakPolarHBondContact O-CB 3.35Å; V190-T194 PolarHBondContact O-N 3.36Å; V190-T194 PolarHBondContact O-OG1 2.93Å; V190-L227 HydrophobicContact CG2-CD1 3.54Å; V190-S238 VanDerWaalsContact CG1-C 3.44Å; V190-S238 WeakPolarHBondContact CG1-O 3.13Å; V190-L242 HydrophobicContact CG1-CB 4.08Å; V190-L242 HydrophobicContact CG1-CD2 3.9Å
191	L	82.6	Confident	75.6	Confident	13 Å²	13	49.9 Å²	49.9	7%	0.068	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-38.9	177.2	-71.2	174.2	0	0	0	111.7	Y141 I145 M149 L187 T194 R195	Y141-L191 HydrophobicContact CD1-CD1 4.33Å; Y141-L191 HydrophobicContact CE1-CD1 4.05Å; I145-L191 HydrophobicContact CG2-CD1 4.22Å; M149-L191 HydrophobicContact CE-CB 3.18Å; M149-L191 HydrophobicContact CE-CD1 3.74Å; M149-L191 HydrophobicContact CE-CG 4.11Å; L187-L191 HydrophobicContact CD1-CD1 4.04Å; L187-L191 HydrophobicContact CD1-CG 4.13Å; L187-L191 HydrophobicContact CG-CD1 3.96Å; L187-L191 HydrophobicContact CG-CG 4.46Å; L187-L191 WeakPolarHBondContact O-CB 3.4Å; L187-L191 WeakPolarHBondContact O-CG 3.47Å; L187-L191 PolarHBondContact O-N 2.95Å; L191-T194 PolarHBondContact O-N 2.91Å; L191-R195 WeakPolarHBondContact O-CG 3.22Å; L191-R195 PolarHBondContact O-N 3.27Å
192	F	81.8	Confident	74.4	Confident	16 Å²	16	49.4 Å²	49.4	7%	0.07	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-43.7	174.2	-179.2	-103.3	0	0	0	112	F152 N153 V157 V170 S188 A189 T194 R195 L196	F152-F192 HydrophobicContact CB-CD1 3.61Å; F152-F192 HydrophobicContact CB-CD2 4.32Å; F152-F192 HydrophobicContact CB-CE1 3.68Å; F152-F192 HydrophobicContact CB-CE2 4.4Å; F152-F192 HydrophobicContact CB-CG 3.94Å; F152-F192 HydrophobicContact CB-CZ 4.09Å; F152-F192 HydrophobicContact CG-CD1 4.36Å; N153-F192 WeakPolarHBondContact OD1-CE2 3.3Å; V157-F192 HydrophobicContact CG1-CE1 4.21Å; V157-F192 HydrophobicContact CG1-CZ 4.34Å; V170-F192 HydrophobicContact CG2-CD1 3.93Å; V170-F192 HydrophobicContact CG2-CE1 3.83Å; S188-F192 VanDerWaalsContact O-CB 3.22Å; S188-F192 WeakPolarHBondContact O-CB 3.39Å; S188-F192 PolarHBondContact O-N 3.42Å; A189-F192 PolarHBondContact O-N 3.4Å; F192-T194 VanDerWaalsContact C-N 3.31Å; F192-T194 PolarHBondContact O-N 3.14Å; F192-R195 PolarHBondContact O-N 3.22Å; F192-L196 HydrophobicContact CD1-CD1 3.79Å; F192-L196 HydrophobicContact CD1-CG 4.32Å; F192-L196 HydrophobicContact CE1-CD1 3.35Å; F192-L196 HydrophobicContact CE1-CG 4.01Å; F192-L196 HydrophobicContact CZ-CD1 3.89Å; F192-L196 HydrophobicContact CZ-CD2 4.34Å; F192-L196 HydrophobicContact CZ-CG 4.14Å; F192-L196 WeakPolarHBondContact O-CB 3.3Å; F192-L196 WeakPolarHBondContact O-CG 3.38Å; F192-L196 PolarHBondContact O-N 3.15Å
193	I	82.8	Confident	72.4	Confident	9 Å²	9	55.5 Å²	55.5	5%	0.046	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-41.7	174.2	-70.6	168.2	0	0	0	111	L167 V170 A189 V190 L196 L197 L242	L167-I193 HydrophobicContact CD2-CB 4.25Å; L167-I193 HydrophobicContact CD2-CG1 4.08Å; L167-I193 HydrophobicContact CD2-CG2 3.34Å; V170-I193 HydrophobicContact CB-CD1 4.39Å; V170-I193 HydrophobicContact CB-CG1 4.34Å; V170-I193 HydrophobicContact CG1-CD1 3.8Å; V170-I193 HydrophobicContact CG1-CG1 3.88Å; A189-I193 VanDerWaalsContact O-CG1 3.29Å; A189-I193 WeakPolarHBondContact O-CG1 3.2Å; A189-I193 PolarHBondContact O-N 3.33Å; V190-I193 PolarHBondContact O-N 3.33Å; I193-L196 WeakPolarHBondContact O-CB 3.26Å; I193-L196 PolarHBondContact O-N 2.98Å; I193-L197 HydrophobicContact CG2-CD1 4.1Å; I193-L197 WeakPolarHBondContact O-CG 3.22Å; I193-L197 PolarHBondContact O-N 3.45Å; I193-L242 HydrophobicContact CB-CD1 4.46Å; I193-L242 HydrophobicContact CB-CD2 4.09Å; I193-L242 HydrophobicContact CG2-CD1 3.51Å; I193-L242 HydrophobicContact CG2-CD2 3.68Å; I193-L242 HydrophobicContact CG2-CG 4.25Å
194	T	83.3	Confident	70.6	Confident	9 Å²	9	58.9 Å²	58.9	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-48.2	179.5	-55.8	0	0	0	0	110.9	V190 L191 F192 L196 L197 E198 L245	V190-T194 WeakPolarHBondContact O-CB 3.35Å; V190-T194 PolarHBondContact O-N 3.36Å; V190-T194 PolarHBondContact O-OG1 2.93Å; L191-T194 PolarHBondContact O-N 2.91Å; F192-T194 VanDerWaalsContact C-N 3.31Å; F192-T194 PolarHBondContact O-N 3.14Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-L196 PolarHBondContact O-N 3.31Å; T194-L197 PolarHBondContact O-N 3.25Å; T194-L197 VanDerWaalsContact O-N 3.11Å; T194-E198 WeakPolarHBondContact O-CG 3.18Å; T194-E198 PolarHBondContact O-N 2.99Å; T194-L245 HydrophobicContact CG2-CD1 3.83Å
195	R	81.3	Confident	68.5	Low	111 Å²	111	67.4 Å²	67.4	42%	0.419	34%	0.342	S	S	.	.	H	α-helix	trans	-57.9	-43.9	173.5	-71.9	-178.7	-177.4	179.8	-0.1	112.2	E146 M149 L191 F192 L197 E198 E199	E146-R195 IonicContact OE1-CZ 2.88Å; E146-R195 IonicContact OE1-NH1 3.61Å; E146-R195 PolarHBondContact OE1-NH1 2.9Å; E146-R195 IonicContact OE1-NH2 3.41Å; M149-R195 PolarHBondContact SD-NH1 3.39Å; M149-R195 VanDerWaalsContact SD-NH1 3.36Å; L191-R195 WeakPolarHBondContact O-CG 3.22Å; L191-R195 PolarHBondContact O-N 3.27Å; F192-R195 PolarHBondContact O-N 3.22Å; R195-L197 VanDerWaalsContact C-N 3.26Å; R195-L197 PolarHBondContact O-N 3.13Å; R195-E198 PolarHBondContact O-N 3.41Å; R195-E198 VanDerWaalsContact O-N 3.1Å; R195-E199 WeakPolarHBondContact O-CG 3.37Å; R195-E199 PolarHBondContact O-N 3.46Å
196	L	80.3	Confident	66.7	Low	34 Å²	34	73.3 Å²	73.3	18%	0.178	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-34.5	176.8	-80.6	179.4	0	0	0	113.1	F192 I193 T194	F192-L196 HydrophobicContact CD1-CD1 3.79Å; F192-L196 HydrophobicContact CD1-CG 4.32Å; F192-L196 HydrophobicContact CE1-CD1 3.35Å; F192-L196 HydrophobicContact CE1-CG 4.01Å; F192-L196 HydrophobicContact CZ-CD1 3.89Å; F192-L196 HydrophobicContact CZ-CD2 4.34Å; F192-L196 HydrophobicContact CZ-CG 4.14Å; F192-L196 WeakPolarHBondContact O-CB 3.3Å; F192-L196 WeakPolarHBondContact O-CG 3.38Å; F192-L196 PolarHBondContact O-N 3.15Å; I193-L196 WeakPolarHBondContact O-CB 3.26Å; I193-L196 PolarHBondContact O-N 2.98Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-L196 PolarHBondContact O-N 3.31Å
197	L	77.1	Confident	64.5	Low	1 Å²	1	77.8 Å²	77.8	1%	0.005	41%	0.407	C	S	.	.	H	α-helix	trans	-74.1	-34.2	175.8	-71.4	166.9	0	0	0	111.3	L163 I193 T194 R195 L242 L246 K249 Y250	L163-L197 HydrophobicContact CD2-CD2 3.76Å; I193-L197 HydrophobicContact CG2-CD1 4.1Å; I193-L197 WeakPolarHBondContact O-CG 3.22Å; I193-L197 PolarHBondContact O-N 3.45Å; T194-L197 PolarHBondContact O-N 3.25Å; T194-L197 VanDerWaalsContact O-N 3.11Å; R195-L197 VanDerWaalsContact C-N 3.26Å; R195-L197 PolarHBondContact O-N 3.13Å; L197-L242 HydrophobicContact CD1-CD1 3.39Å; L197-L246 HydrophobicContact CD1-CD2 3.56Å; L197-L246 HydrophobicContact CD1-CG 3.84Å; L197-L246 HydrophobicContact CD2-CD2 4.01Å; L197-L246 HydrophobicContact CG-CD2 4.45Å; L197-K249 HydrophobicContact CD2-CD 4.49Å; L197-K249 PolarHBondContact O-NZ 3.37Å; L197-Y250 HydrophobicContact CD2-CE2 4.24Å
198	E	76.9	Confident	62.3	Low	113 Å²	113	83.3 Å²	83.3	53%	0.528	43%	0.434	S	S	.	.	H	α-helix	trans	-77.9	-34	-177.2	-70.7	177	167.1	0	0	113.9	T194 R195 K200	T194-E198 WeakPolarHBondContact O-CG 3.18Å; T194-E198 PolarHBondContact O-N 2.99Å; R195-E198 PolarHBondContact O-N 3.41Å; R195-E198 VanDerWaalsContact O-N 3.1Å; E198-K200 VanDerWaalsContact C-N 3.33Å; E198-K200 PolarHBondContact O-N 3.32Å
199	E	66.8	Low	60.5	Low	150 Å²	150	96.1 Å²	96.1	70%	0.701	48%	0.482	S	S	*	.	S	Bend	trans	-69.3	-12.5	-171.2	-80.7	-178.2	171.9	0	0	116.7	R195	R195-E199 WeakPolarHBondContact O-CG 3.37Å; R195-E199 PolarHBondContact O-N 3.46Å
200	K	48.2	Very low	59.2	Low	161 Å²	161	97.5 Å²	97.5	70%	0.7	49%	0.492	S	S	*	.			trans	-139.6	113.5	-178.7	-77.6	-174.4	176	179.5	0	113.8	E198	E198-K200 VanDerWaalsContact C-N 3.33Å; E198-K200 PolarHBondContact O-N 3.32Å
201	S	40.3	Very low	57.9	Low	123 Å²	123	104.3 Å²	104.3	86%	0.86	53%	0.528	S	S	*	.			trans	-120.1	19.2	-177.2	57.7	0	0	0	0	115.6
202	A	36.3	Very low	57.1	Low	94 Å²	94	106.9 Å²	106.9	78%	0.777	55%	0.547	S	S	*	.	S	Bend	trans	-131.6	-7.7	-173.2	0	0	0	0	0	117.8
203	Q	36.8	Very low	56.6	Low	179 Å²	179	107 Å²	107	84%	0.836	55%	0.552	S	S	*	*			trans	-145.6	100.2	178.7	-80.7	-178.7	-31.2	0	0	109.7
204	D	37.4	Very low	56.3	Low	128 Å²	128	109.9 Å²	109.9	68%	0.684	57%	0.565	S	S	*	*			trans	-172.2	77.5	144.1	-90.9	-18	0	0	0	107.5
205	K	35	Very low	56.2	Low	207 Å²	207	113.2 Å²	113.2	90%	0.9	59%	0.585	S	S	*	*			trans	-88.4	109.3	158.2	-82.9	-172.6	177.2	-177.9	0	107.1
206	N	43	Very low	56.3	Low	161 Å²	161	109.4 Å²	109.4	86%	0.861	57%	0.573	S	S	*	*			trans	61.9	114.5	165.9	-62.1	-11	0	0	0	117
207	S	35.3	Very low	56.5	Low	112 Å²	112	110.1 Å²	110.1	78%	0.783	57%	0.573	S	S	*	*			trans	-154.4	132.7	144.7	-159	0	0	0	0	113.2
208	M	37.5	Very low	56.9	Low	126 Å²	126	112 Å²	112	62%	0.621	58%	0.583	S	S	*	*			trans	81.5	92	156.1	-52.5	-130.3	75.6	0	0	119.1	S210	M208-S210 PolarHBondContact O-N 2.73Å
209	R	42.6	Very low	57.4	Low	268 Å²	268	110.5 Å²	110.5	100%	1.011	58%	0.575	S	S	*	*			trans	-70.2	87.7	137.4	-78.3	-177.5	175.8	170.9	-1.3	107.7
210	S	54.9	Low	58.3	Low	31 Å²	31	103.7 Å²	103.7	22%	0.217	54%	0.544	C	S	.	.			trans	-130.1	145.4	165.5	61.8	0	0	0	0	108.8	M208 S212 A213 Q214	M208-S210 PolarHBondContact O-N 2.73Å; S210-S212 PolarHBondContact O-N 2.69Å; S210-S212 PolarHBondContact OG-OG 2.88Å; S210-A213 PolarHBondContact O-N 3.26Å; S210-Q214 PolarHBondContact O-N 3.33Å
211	D	56.2	Low	60.3	Low	145 Å²	145	96 Å²	96	78%	0.775	51%	0.51	S	S	*	.	H	α-helix	trans	-57.4	-24.3	178.1	-63.8	-30.7	0	0	0	112.4	T215	D211-T215 WeakPolarHBondContact O-CG2 3.42Å; D211-T215 PolarHBondContact O-N 2.96Å; D211-T215 VanDerWaalsContact O-N 3.13Å; D211-T215 PolarHBondContact O-OG1 3.41Å
212	S	65.9	Low	62.6	Low	66 Å²	66	95.2 Å²	95.2	46%	0.462	49%	0.491	S	S	.	.	H	α-helix	trans	-68	-37.9	172.9	57.2	0	0	0	0	113.8	S210 Q214 T215 I216	S210-S212 PolarHBondContact O-N 2.69Å; S210-S212 PolarHBondContact OG-OG 2.88Å; S212-Q214 VanDerWaalsContact C-N 3.33Å; S212-T215 WeakPolarHBondContact CA-OG1 3.3Å; S212-T215 PolarHBondContact O-OG1 3.25Å; S212-I216 WeakPolarHBondContact O-CD1 3.37Å; S212-I216 VanDerWaalsContact O-CG1 3.23Å; S212-I216 WeakPolarHBondContact O-CG1 3.29Å; S212-I216 PolarHBondContact O-N 3.18Å
213	A	70.4	Confident	65.1	Low	20 Å²	20	91.2 Å²	91.2	17%	0.165	46%	0.457	C	S	.	.	H	α-helix	trans	-69.5	-36.5	176.8	0	0	0	0	0	111	L164 S210 I216 R217	L164-A213 HydrophobicContact CD2-CB 3.79Å; S210-A213 PolarHBondContact O-N 3.26Å; A213-I216 PolarHBondContact O-N 2.81Å; A213-R217 WeakPolarHBondContact O-CB 3.44Å; A213-R217 PolarHBondContact O-N 2.75Å
214	Q	78	Confident	67.6	Low	68 Å²	68	82.9 Å²	82.9	32%	0.318	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-47.8	177.4	-177.3	47.2	42.6	0	0	111.9	S210 S212 I216 R217 D218	S210-Q214 PolarHBondContact O-N 3.33Å; S212-Q214 VanDerWaalsContact C-N 3.33Å; Q214-I216 VanDerWaalsContact C-N 3.35Å; Q214-I216 PolarHBondContact O-N 3.41Å; Q214-R217 VanDerWaalsContact CD-CZ 3.46Å; Q214-R217 VanDerWaalsContact NE2-CZ 3.31Å; Q214-R217 WeakPolarHBondContact O-CB 3.35Å; Q214-R217 PolarHBondContact O-N 2.99Å; Q214-D218 PolarHBondContact NE2-OD1 3.35Å; Q214-D218 PolarHBondContact NE2-OD2 3.47Å; Q214-D218 PolarHBondContact O-N 3.24Å
215	T	80.5	Confident	70.1	Confident	79 Å²	79	78.3 Å²	78.3	49%	0.485	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-36.3	177.6	50.1	0	0	0	0	113.1	D211 S212 K219	D211-T215 WeakPolarHBondContact O-CG2 3.42Å; D211-T215 PolarHBondContact O-N 2.96Å; D211-T215 VanDerWaalsContact O-N 3.13Å; D211-T215 PolarHBondContact O-OG1 3.41Å; S212-T215 WeakPolarHBondContact CA-OG1 3.3Å; S212-T215 PolarHBondContact O-OG1 3.25Å; T215-K219 WeakPolarHBondContact O-CG 3.31Å; T215-K219 PolarHBondContact O-N 2.91Å; T215-K219 VanDerWaalsContact O-N 3.15Å
216	I	82.8	Confident	72.7	Confident	32 Å²	32	73.3 Å²	73.3	16%	0.164	37%	0.374	C	S	.	.	H	α-helix	trans	-66.5	-44.2	175	-67	164.2	0	0	0	110.9	L164 E165 S212 A213 Q214 D218 K219 V220	L164-I216 HydrophobicContact CD1-CG2 4.03Å; L164-I216 HydrophobicContact CG-CB 4.36Å; L164-I216 HydrophobicContact CG-CG2 3.85Å; L164-I216 VanDerWaalsContact O-CG2 3.26Å; L164-I216 WeakPolarHBondContact O-CG2 3.29Å; E165-I216 HydrophobicContact CG-CD1 4.23Å; S212-I216 WeakPolarHBondContact O-CD1 3.37Å; S212-I216 VanDerWaalsContact O-CG1 3.23Å; S212-I216 WeakPolarHBondContact O-CG1 3.29Å; S212-I216 PolarHBondContact O-N 3.18Å; A213-I216 PolarHBondContact O-N 2.81Å; Q214-I216 VanDerWaalsContact C-N 3.35Å; Q214-I216 PolarHBondContact O-N 3.41Å; I216-D218 VanDerWaalsContact C-N 3.33Å; I216-D218 PolarHBondContact O-N 3.42Å; I216-K219 WeakPolarHBondContact O-CB 3.32Å; I216-K219 PolarHBondContact O-N 3.13Å; I216-V220 WeakPolarHBondContact O-CG2 3.25Å; I216-V220 PolarHBondContact O-N 3.49Å
217	R	85	Confident	74.9	Confident	49 Å²	49	65.9 Å²	65.9	19%	0.185	33%	0.334	C	S	.	.	H	α-helix	trans	-55.3	-49.3	174.9	-179.4	-173.7	71.6	178.5	12.7	111.3	A213 Q214 K219 V220 L221 W252 C255	A213-R217 WeakPolarHBondContact O-CB 3.44Å; A213-R217 PolarHBondContact O-N 2.75Å; Q214-R217 VanDerWaalsContact CD-CZ 3.46Å; Q214-R217 VanDerWaalsContact NE2-CZ 3.31Å; Q214-R217 WeakPolarHBondContact O-CB 3.35Å; Q214-R217 PolarHBondContact O-N 2.99Å; R217-K219 VanDerWaalsContact C-N 3.29Å; R217-K219 PolarHBondContact O-N 3.33Å; R217-V220 WeakPolarHBondContact O-CB 3.43Å; R217-V220 PolarHBondContact O-N 3.39Å; R217-V220 VanDerWaalsContact O-N 3.08Å; R217-L221 HydrophobicContact CG-CD1 3.97Å; R217-L221 HydrophobicContact CG-CG 4.25Å; R217-L221 WeakPolarHBondContact O-CG 3.5Å; R217-L221 PolarHBondContact O-N 2.87Å; R217-W252 HydrophobicContact CG-CD2 3.91Å; R217-W252 HydrophobicContact CG-CE3 4.38Å; R217-W252 HydrophobicContact CG-CG 4.22Å; R217-W252 HydrophobicContact CG-CZ2 4.19Å; R217-C255 PolarHBondContact NH2-SG 3.37Å
218	D	85.6	Confident	77.4	Confident	40 Å²	40	60.5 Å²	60.5	21%	0.214	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-34	-175.7	-58.4	-14.8	0	0	0	111.5	Q214 I216 K222	Q214-D218 PolarHBondContact NE2-OD1 3.35Å; Q214-D218 PolarHBondContact NE2-OD2 3.47Å; Q214-D218 PolarHBondContact O-N 3.24Å; I216-D218 VanDerWaalsContact C-N 3.33Å; I216-D218 PolarHBondContact O-N 3.42Å; D218-K222 WeakPolarHBondContact O-CB 3.27Å; D218-K222 VanDerWaalsContact O-CG 3.3Å; D218-K222 WeakPolarHBondContact O-CG 3.34Å; D218-K222 PolarHBondContact O-N 3.06Å
219	K	86.3	Confident	79.8	Confident	82 Å²	82	57.1 Å²	57.1	36%	0.357	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-44.1	170.6	-75.1	179.1	175.5	-167.6	0	112.5	V171 D172 T215 I216 R217 L223	V171-K219 HydrophobicContact CG1-CB 4.18Å; D172-K219 IonicContact OD1-NZ 2.86Å; D172-K219 PolarHBondContact OD1-NZ 3.36Å; D172-K219 IonicContact OD2-NZ 3.65Å; D172-K219 PolarHBondContact OD2-NZ 2.88Å; T215-K219 WeakPolarHBondContact O-CG 3.31Å; T215-K219 PolarHBondContact O-N 2.91Å; T215-K219 VanDerWaalsContact O-N 3.15Å; I216-K219 WeakPolarHBondContact O-CB 3.32Å; I216-K219 PolarHBondContact O-N 3.13Å; R217-K219 VanDerWaalsContact C-N 3.29Å; R217-K219 PolarHBondContact O-N 3.33Å; K219-L223 PolarHBondContact O-N 2.98Å; K219-L223 VanDerWaalsContact O-N 3.13Å
220	V	86.8	Confident	81.9	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-47.8	178.1	174	0	0	0	0	110.3	L167 V171 I216 R217 K222 L223 L224 L246 W252	L167-V220 HydrophobicContact CB-CG2 3.96Å; V171-V220 HydrophobicContact CG2-CB 4.5Å; V171-V220 HydrophobicContact CG2-CG2 3.85Å; I216-V220 WeakPolarHBondContact O-CG2 3.25Å; I216-V220 PolarHBondContact O-N 3.49Å; R217-V220 WeakPolarHBondContact O-CB 3.43Å; R217-V220 PolarHBondContact O-N 3.39Å; R217-V220 VanDerWaalsContact O-N 3.08Å; V220-K222 PolarHBondContact O-N 3.49Å; V220-L223 PolarHBondContact O-N 3.16Å; V220-L224 HydrophobicContact CG1-CD1 4.37Å; V220-L224 WeakPolarHBondContact O-CG 3.39Å; V220-L224 PolarHBondContact O-N 2.9Å; V220-L246 HydrophobicContact CG1-CD1 4.49Å; V220-W252 HydrophobicContact CG1-CZ3 4.41Å
221	L	89.5	Confident	83.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-46.3	179.7	-65.1	177.6	0	0	0	111.5	R217 L223 L224 V225 M247 W252 C255 F256	R217-L221 HydrophobicContact CG-CD1 3.97Å; R217-L221 HydrophobicContact CG-CG 4.25Å; R217-L221 WeakPolarHBondContact O-CG 3.5Å; R217-L221 PolarHBondContact O-N 2.87Å; L221-L223 VanDerWaalsContact C-N 3.29Å; L221-L223 PolarHBondContact O-N 2.87Å; L221-L224 HydrophobicContact CD2-CD1 4.48Å; L221-L224 WeakPolarHBondContact O-CB 3.15Å; L221-L224 PolarHBondContact O-N 3.06Å; L221-L224 VanDerWaalsContact O-N 3.13Å; L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 2.81Å; L221-M247 HydrophobicContact CD2-CE 4.07Å; L221-W252 HydrophobicContact CD2-CB 4.36Å; L221-W252 HydrophobicContact CD2-CE3 4.2Å; L221-C255 HydrophobicContact CD1-CB 3.61Å; L221-F256 HydrophobicContact CD2-CB 4Å; L221-F256 HydrophobicContact CD2-CD2 3.96Å; L221-F256 HydrophobicContact CD2-CG 4.46Å
222	K	89.1	Confident	84.6	Confident	105 Å²	105	43 Å²	43	46%	0.457	25%	0.248	S	C	.	.	H	α-helix	trans	-59	-39.7	176.1	-75.9	175	-179	177.3	0	112.7	D218 V220 V225 E226 E259	D218-K222 WeakPolarHBondContact O-CB 3.27Å; D218-K222 VanDerWaalsContact O-CG 3.3Å; D218-K222 WeakPolarHBondContact O-CG 3.34Å; D218-K222 PolarHBondContact O-N 3.06Å; V220-K222 PolarHBondContact O-N 3.49Å; K222-V225 PolarHBondContact O-N 3.3Å; K222-E226 WeakPolarHBondContact O-CB 3.24Å; K222-E226 PolarHBondContact O-N 2.93Å; K222-E259 WeakPolarHBondContact CE-OE2 3.2Å; K222-E259 WeakPolarHBondContact CG-OE2 3.3Å; K222-E259 IonicContact NZ-OE2 2.82Å
223	L	88.7	Confident	85.6	Confident	11 Å²	11	45.6 Å²	45.6	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-44.1	175.6	-179.8	67.2	0	0	0	111.4	V171 L174 K219 V220 L221 V225 E226 L227	V171-L223 HydrophobicContact CB-CD2 4.3Å; V171-L223 HydrophobicContact CG1-CB 4.37Å; V171-L223 HydrophobicContact CG1-CD2 4.22Å; V171-L223 HydrophobicContact CG2-CD2 3.73Å; L174-L223 HydrophobicContact CD2-CD1 3.59Å; L174-L223 HydrophobicContact CD2-CD2 3.74Å; L174-L223 HydrophobicContact CD2-CG 4.27Å; K219-L223 PolarHBondContact O-N 2.98Å; K219-L223 VanDerWaalsContact O-N 3.13Å; V220-L223 PolarHBondContact O-N 3.16Å; L221-L223 VanDerWaalsContact C-N 3.29Å; L221-L223 PolarHBondContact O-N 2.87Å; L223-V225 VanDerWaalsContact C-N 3.32Å; L223-V225 PolarHBondContact O-N 2.87Å; L223-E226 PolarHBondContact O-N 2.63Å; L223-L227 HydrophobicContact CD1-CD1 4.04Å; L223-L227 HydrophobicContact CD1-CD2 4.45Å; L223-L227 HydrophobicContact CD1-CG 4Å; L223-L227 HydrophobicContact CD2-CD1 4.23Å; L223-L227 HydrophobicContact CG-CD1 3.77Å; L223-L227 HydrophobicContact CG-CG 4.15Å; L223-L227 WeakPolarHBondContact O-CB 3.42Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.47Å; L223-L227 PolarHBondContact O-N 2.92Å
224	L	89.4	Confident	86.2	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-44	177.2	-66.9	172.5	0	0	0	111.6	V220 L221 E226 L227 L228 T239 L242 L246 F256	V220-L224 HydrophobicContact CG1-CD1 4.37Å; V220-L224 WeakPolarHBondContact O-CG 3.39Å; V220-L224 PolarHBondContact O-N 2.9Å; L221-L224 HydrophobicContact CD2-CD1 4.48Å; L221-L224 WeakPolarHBondContact O-CB 3.15Å; L221-L224 PolarHBondContact O-N 3.06Å; L221-L224 VanDerWaalsContact O-N 3.13Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 3.24Å; L224-L227 PolarHBondContact O-N 3.44Å; L224-L228 WeakPolarHBondContact O-CB 3.4Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.26Å; L224-L228 PolarHBondContact O-N 3.01Å; L224-T239 HydrophobicContact CD2-CG2 4.06Å; L224-L242 HydrophobicContact CD2-CD2 3.74Å; L224-L242 HydrophobicContact CD2-CG 4.05Å; L224-L246 HydrophobicContact CD1-CD1 3.73Å; L224-F256 HydrophobicContact CB-CE2 4.1Å
225	V	90.7	Very high	86.6	Confident	31 Å²	31	44.1 Å²	44.1	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-42.1	177.4	178.2	0	0	0	0	111.4	L221 K222 L223 F256 E259 A264	L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 2.81Å; K222-V225 PolarHBondContact O-N 3.3Å; L223-V225 VanDerWaalsContact C-N 3.32Å; L223-V225 PolarHBondContact O-N 2.87Å; V225-F256 HydrophobicContact CG2-CD2 4.37Å; V225-F256 HydrophobicContact CG2-CE2 3.93Å; V225-E259 HydrophobicContact CG2-CB 4.49Å; V225-A264 HydrophobicContact CG1-CB 3.97Å
226	E	89.5	Confident	87	Confident	103 Å²	103	40.4 Å²	40.4	48%	0.481	22%	0.216	S	C	.	.	H	α-helix	trans	-64.6	-45	177.1	-173.3	177.4	179.1	0	0	112	K222 L223 L224 L228 G229	K222-E226 WeakPolarHBondContact O-CB 3.24Å; K222-E226 PolarHBondContact O-N 2.93Å; L223-E226 PolarHBondContact O-N 2.63Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 3.24Å; E226-L228 PolarHBondContact O-N 3.33Å; E226-G229 PolarHBondContact O-N 3.38Å; E226-G229 VanDerWaalsContact O-N 3.15Å
227	L	87.8	Confident	87.2	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-30.1	-179.5	-68.3	176.8	0	0	0	113.4	Q186 V190 L223 L224 G229 S230 V235 T239	Q186-L227 HydrophobicContact CB-CD2 3.84Å; Q186-L227 VanDerWaalsContact CD-CD2 3.49Å; Q186-L227 HydrophobicContact CG-CD2 3.66Å; V190-L227 HydrophobicContact CG2-CD1 3.54Å; L223-L227 HydrophobicContact CD1-CD1 4.04Å; L223-L227 HydrophobicContact CD1-CD2 4.45Å; L223-L227 HydrophobicContact CD1-CG 4Å; L223-L227 HydrophobicContact CD2-CD1 4.23Å; L223-L227 HydrophobicContact CG-CD1 3.77Å; L223-L227 HydrophobicContact CG-CG 4.15Å; L223-L227 WeakPolarHBondContact O-CB 3.42Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.47Å; L223-L227 PolarHBondContact O-N 2.92Å; L224-L227 PolarHBondContact O-N 3.44Å; L227-G229 PolarHBondContact O-N 3.11Å; L227-S230 WeakPolarHBondContact O-CB 3.5Å; L227-S230 PolarHBondContact O-N 3.37Å; L227-S230 VanDerWaalsContact O-N 3.15Å; L227-V235 HydrophobicContact CB-CG1 4.41Å; L227-V235 HydrophobicContact CD2-CG1 4.18Å; L227-T239 HydrophobicContact CB-CG2 3.83Å
228	L	89.3	Confident	87.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-21.6	172.5	-74.7	171.1	0	0	0	112.9	L224 E226 S230 T239 L240 F256 A264 V265 C268	L224-L228 WeakPolarHBondContact O-CB 3.4Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.26Å; L224-L228 PolarHBondContact O-N 3.01Å; E226-L228 PolarHBondContact O-N 3.33Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-T239 HydrophobicContact CD2-CG2 3.83Å; L228-T239 HydrophobicContact CG-CG2 3.75Å; L228-L240 HydrophobicContact CD2-CD2 3.58Å; L228-L240 HydrophobicContact CD2-CG 3.72Å; L228-F256 HydrophobicContact CD1-CE2 4.44Å; L228-F256 HydrophobicContact CD1-CZ 3.8Å; L228-A264 HydrophobicContact CB-CB 3.99Å; L228-A264 HydrophobicContact CD1-CB 4.3Å; L228-V265 HydrophobicContact CD1-CG2 3.8Å; L228-C268 WeakPolarHBondContact O-CB 3.37Å
229	G	86.2	Confident	87.5	Confident	54 Å²	54	35.3 Å²	35.3	56%	0.557	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	11.5	172.6	0	0	0	0	0	114.3	E226 L227	E226-G229 PolarHBondContact O-N 3.38Å; E226-G229 VanDerWaalsContact O-N 3.15Å; L227-G229 PolarHBondContact O-N 3.11Å
230	S	86.6	Confident	87.6	Confident	19 Å²	19	31.4 Å²	31.4	13%	0.133	18%	0.177	C	C	.	.			trans	-74.4	141.2	177.3	-174.5	0	0	0	0	111.3	L227 L228 S232 V236	L227-S230 WeakPolarHBondContact O-CB 3.5Å; L227-S230 PolarHBondContact O-N 3.37Å; L227-S230 VanDerWaalsContact O-N 3.15Å; L228-S230 VanDerWaalsContact C-N 3.33Å; S230-S232 PolarHBondContact O-N 3.1Å; S230-S232 PolarHBondContact OG-N 3.1Å; S230-V236 WeakPolarHBondContact O-CG2 3.27Å
231	S	83.4	Confident	87.7	Confident	99 Å²	99	32.2 Å²	32.2	69%	0.692	18%	0.179	S	C	*	.	S	Bend	trans	-73.6	-7	175.1	63.8	0	0	0	0	113.4
232	S	85.7	Confident	87.7	Confident	31 Å²	31	32.3 Å²	32.3	22%	0.217	18%	0.18	C	C	.	.			trans	-88.6	117.4	179.4	179.4	0	0	0	0	111.5	S230 D234 V235 V236	S230-S232 PolarHBondContact O-N 3.1Å; S230-S232 PolarHBondContact OG-N 3.1Å; S232-D234 VanDerWaalsContact C-N 3.3Å; S232-D234 PolarHBondContact O-N 3.43Å; S232-V235 PolarHBondContact O-N 3.04Å; S232-V236 WeakPolarHBondContact O-CG2 3.45Å; S232-V236 PolarHBondContact O-N 3.09Å; S232-V236 VanDerWaalsContact O-N 3.08Å
233	R	85.9	Confident	87.7	Confident	119 Å²	119	27.3 Å²	27.3	45%	0.449	16%	0.158	S	C	.	.	H	α-helix	trans	-52.5	-46	178.3	-174.5	-163.6	68.4	-174.8	-4.8	112.4	V235 V236 V237 F272 V278	R233-V235 VanDerWaalsContact C-N 3.34Å; R233-V235 PolarHBondContact O-N 3.29Å; R233-V236 PolarHBondContact O-N 2.98Å; R233-V237 HydrophobicContact CG-CG2 4.31Å; R233-V237 VanDerWaalsContact O-CG2 3.3Å; R233-V237 WeakPolarHBondContact O-CG2 3.26Å; R233-V237 PolarHBondContact O-N 3.03Å; R233-F272 HydrophobicContact CB-CE1 4.16Å; R233-V278 HydrophobicContact CG-CG2 4.23Å
234	D	84.4	Confident	87.7	Confident	58 Å²	58	27.1 Å²	27.1	31%	0.31	16%	0.157	S	C	.	.	H	α-helix	trans	-71.7	-33.3	-171.9	-56.7	-30.5	0	0	0	111.4	L187 S232 S238	L187-D234 HydrophobicContact CD1-CB 4.46Å; L187-D234 WeakPolarHBondContact CD1-O 3.41Å; L187-D234 HydrophobicContact CD2-CB 4.12Å; S232-D234 VanDerWaalsContact C-N 3.3Å; S232-D234 PolarHBondContact O-N 3.43Å; D234-S238 WeakPolarHBondContact O-CB 3.43Å; D234-S238 PolarHBondContact O-N 3.44Å; D234-S238 VanDerWaalsContact O-N 3.07Å; D234-S238 PolarHBondContact O-OG 3.25Å
235	V	86	Confident	87.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-46.7	171.7	177.4	0	0	0	0	110.1	P183 Q186 L187 L227 S232 R233 S238 T239	P183-V235 HydrophobicContact CB-CG2 4.16Å; P183-V235 WeakPolarHBondContact O-CG2 3.44Å; Q186-V235 HydrophobicContact CB-CG1 4.26Å; Q186-V235 HydrophobicContact CB-CG2 4.28Å; L187-V235 HydrophobicContact CB-CG2 4.08Å; L227-V235 HydrophobicContact CB-CG1 4.41Å; L227-V235 HydrophobicContact CD2-CG1 4.18Å; S232-V235 PolarHBondContact O-N 3.04Å; R233-V235 VanDerWaalsContact C-N 3.34Å; R233-V235 PolarHBondContact O-N 3.29Å; V235-S238 PolarHBondContact O-N 2.97Å; V235-T239 VanDerWaalsContact O-CB 3.22Å; V235-T239 WeakPolarHBondContact O-CB 3.41Å; V235-T239 PolarHBondContact O-N 3.46Å; V235-T239 PolarHBondContact O-OG1 2.95Å
236	V	87.9	Confident	87.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-45.3	179.8	173.2	0	0	0	0	111.7	S230 S232 R233 S238 T239 L240 C268 F272 V278	S230-V236 WeakPolarHBondContact O-CG2 3.27Å; S232-V236 WeakPolarHBondContact O-CG2 3.45Å; S232-V236 PolarHBondContact O-N 3.09Å; S232-V236 VanDerWaalsContact O-N 3.08Å; R233-V236 PolarHBondContact O-N 2.98Å; V236-S238 PolarHBondContact O-N 3.44Å; V236-T239 PolarHBondContact O-N 3.12Å; V236-L240 HydrophobicContact CG1-CD1 4.03Å; V236-L240 HydrophobicContact CG1-CG 4.4Å; V236-L240 WeakPolarHBondContact O-CB 3.5Å; V236-L240 WeakPolarHBondContact O-CG 3.48Å; V236-L240 PolarHBondContact O-N 3.43Å; V236-C268 HydrophobicContact CG1-CB 4.03Å; V236-F272 HydrophobicContact CB-CE2 4.38Å; V236-F272 HydrophobicContact CG1-CD2 4.41Å; V236-F272 HydrophobicContact CG1-CE2 4.4Å; V236-F272 HydrophobicContact CG2-CE2 3.91Å; V236-F272 HydrophobicContact CG2-CZ 4.48Å; V236-V278 HydrophobicContact CG1-CG1 4.24Å
237	V	87.3	Confident	87.3	Confident	13 Å²	13	22.6 Å²	22.6	8%	0.079	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-49.3	177.1	166.5	0	0	0	0	111.1	R233 T239 L240 R241 V278 L281	R233-V237 HydrophobicContact CG-CG2 4.31Å; R233-V237 VanDerWaalsContact O-CG2 3.3Å; R233-V237 WeakPolarHBondContact O-CG2 3.26Å; R233-V237 PolarHBondContact O-N 3.03Å; V237-T239 VanDerWaalsContact C-N 3.31Å; V237-T239 PolarHBondContact O-N 3.36Å; V237-L240 PolarHBondContact O-N 3Å; V237-R241 WeakPolarHBondContact O-CG 3.34Å; V237-R241 PolarHBondContact O-N 3.41Å; V237-R241 VanDerWaalsContact O-N 3.13Å; V237-V278 HydrophobicContact CG2-CG2 3.71Å; V237-L281 HydrophobicContact CB-CD1 4.42Å; V237-L281 HydrophobicContact CG1-CD1 3.71Å
238	S	86.1	Confident	87	Confident	2 Å²	2	26 Å²	26	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-37.4	-179.7	-53.1	0	0	0	0	111.2	L187 V190 D234 V235 V236 R241 L242	L187-S238 WeakPolarHBondContact CD1-OG 3.39Å; V190-S238 VanDerWaalsContact CG1-C 3.44Å; V190-S238 WeakPolarHBondContact CG1-O 3.13Å; D234-S238 WeakPolarHBondContact O-CB 3.43Å; D234-S238 PolarHBondContact O-N 3.44Å; D234-S238 VanDerWaalsContact O-N 3.07Å; D234-S238 PolarHBondContact O-OG 3.25Å; V235-S238 PolarHBondContact O-N 2.97Å; V236-S238 PolarHBondContact O-N 3.44Å; S238-R241 PolarHBondContact O-N 3.21Å; S238-L242 WeakPolarHBondContact O-CB 3.28Å; S238-L242 PolarHBondContact O-N 2.97Å
239	T	89.9	Confident	86.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-70.3	-38.3	179	-55.9	0	0	0	0	111.7	L224 L227 L228 V235 V236 V237 L242 T243	L224-T239 HydrophobicContact CD2-CG2 4.06Å; L227-T239 HydrophobicContact CB-CG2 3.83Å; L228-T239 HydrophobicContact CD2-CG2 3.83Å; L228-T239 HydrophobicContact CG-CG2 3.75Å; V235-T239 VanDerWaalsContact O-CB 3.22Å; V235-T239 WeakPolarHBondContact O-CB 3.41Å; V235-T239 PolarHBondContact O-N 3.46Å; V235-T239 PolarHBondContact O-OG1 2.95Å; V236-T239 PolarHBondContact O-N 3.12Å; V237-T239 VanDerWaalsContact C-N 3.31Å; V237-T239 PolarHBondContact O-N 3.36Å; T239-L242 PolarHBondContact O-N 3.3Å; T239-T243 WeakPolarHBondContact O-CB 3.35Å; T239-T243 PolarHBondContact O-N 3.31Å; T239-T243 PolarHBondContact O-OG1 2.92Å
240	L	89.9	Confident	86.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-42.7	174.1	-77.1	170.7	0	0	0	111.6	L228 V236 V237 T243 H244 V265 V278 L281 A282 T285	L228-L240 HydrophobicContact CD2-CD2 3.58Å; L228-L240 HydrophobicContact CD2-CG 3.72Å; V236-L240 HydrophobicContact CG1-CD1 4.03Å; V236-L240 HydrophobicContact CG1-CG 4.4Å; V236-L240 WeakPolarHBondContact O-CB 3.5Å; V236-L240 WeakPolarHBondContact O-CG 3.48Å; V236-L240 PolarHBondContact O-N 3.43Å; V237-L240 PolarHBondContact O-N 3Å; L240-T243 PolarHBondContact O-N 3.38Å; L240-H244 WeakPolarHBondContact O-CB 3.36Å; L240-H244 PolarHBondContact O-N 2.91Å; L240-V265 HydrophobicContact CD2-CG1 4.26Å; L240-V265 HydrophobicContact CD2-CG2 4.23Å; L240-V278 HydrophobicContact CD1-CG1 3.98Å; L240-L281 HydrophobicContact CB-CB 4.16Å; L240-L281 HydrophobicContact CD1-CB 4.19Å; L240-A282 HydrophobicContact CD1-CB 4.17Å; L240-A282 HydrophobicContact CD2-CB 4.38Å; L240-T285 PolarHBondContact O-OG1 3.41Å
241	R	88.3	Confident	86	Confident	23 Å²	23	37.6 Å²	37.6	9%	0.087	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-48.1	174.7	-71.6	168.6	178.9	-100.9	-4.6	111.8	P134 E136 V237 S238 T243 H244 L245 H277 L281	P134-R241 PolarHBondContact O-NH2 3.3Å; E136-R241 VanDerWaalsContact CD-NH1 3.29Å; E136-R241 WeakPolarHBondContact OE1-CD 3.43Å; E136-R241 IonicContact OE1-CZ 2.67Å; E136-R241 IonicContact OE1-NE 3.47Å; E136-R241 IonicContact OE1-NH1 3.32Å; E136-R241 PolarHBondContact OE1-NH1 3Å; V237-R241 WeakPolarHBondContact O-CG 3.34Å; V237-R241 PolarHBondContact O-N 3.41Å; V237-R241 VanDerWaalsContact O-N 3.13Å; S238-R241 PolarHBondContact O-N 3.21Å; R241-T243 VanDerWaalsContact C-N 3.31Å; R241-T243 PolarHBondContact O-N 2.86Å; R241-H244 WeakPolarHBondContact O-CB 3.45Å; R241-H244 PolarHBondContact O-N 3.06Å; R241-L245 PolarHBondContact O-N 3.49Å; R241-H277 PolarHBondContact NH2-CE1 2.67Å; R241-H277 VanDerWaalsContact NH2-CE1 3.27Å; R241-H277 PolarHBondContact NH2-NE2 3.29Å; R241-H277 VanDerWaalsContact NH2-NE2 3.15Å; R241-L281 HydrophobicContact CG-CD1 3.99Å; R241-L281 HydrophobicContact CG-CD2 3.78Å
242	L	89	Confident	86.2	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-44.4	176.4	174.5	55.9	0	0	0	111.4	V190 I193 L197 L224 S238 T239 L245 L246	V190-L242 HydrophobicContact CG1-CB 4.08Å; V190-L242 HydrophobicContact CG1-CD2 3.9Å; I193-L242 HydrophobicContact CB-CD1 4.46Å; I193-L242 HydrophobicContact CB-CD2 4.09Å; I193-L242 HydrophobicContact CG2-CD1 3.51Å; I193-L242 HydrophobicContact CG2-CD2 3.68Å; I193-L242 HydrophobicContact CG2-CG 4.25Å; L197-L242 HydrophobicContact CD1-CD1 3.39Å; L224-L242 HydrophobicContact CD2-CD2 3.74Å; L224-L242 HydrophobicContact CD2-CG 4.05Å; S238-L242 WeakPolarHBondContact O-CB 3.28Å; S238-L242 PolarHBondContact O-N 2.97Å; T239-L242 PolarHBondContact O-N 3.3Å; L242-L245 PolarHBondContact O-N 3.04Å; L242-L246 HydrophobicContact CD1-CD1 3.84Å; L242-L246 HydrophobicContact CD1-CG 3.95Å; L242-L246 HydrophobicContact CG-CD1 3.97Å; L242-L246 HydrophobicContact CG-CG 4.49Å; L242-L246 WeakPolarHBondContact O-CB 3.48Å; L242-L246 WeakPolarHBondContact O-CG 3.26Å; L242-L246 PolarHBondContact O-N 3.48Å
243	T	90.1	Very high	86.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-46.5	177.8	-56.3	0	0	0	0	110.6	T239 L240 R241 L245 L246 M247 F256 T285	T239-T243 WeakPolarHBondContact O-CB 3.35Å; T239-T243 PolarHBondContact O-N 3.31Å; T239-T243 PolarHBondContact O-OG1 2.92Å; L240-T243 PolarHBondContact O-N 3.38Å; R241-T243 VanDerWaalsContact C-N 3.31Å; R241-T243 PolarHBondContact O-N 2.86Å; T243-L245 PolarHBondContact O-N 3.24Å; T243-L246 PolarHBondContact O-N 3.45Å; T243-M247 HydrophobicContact CG2-CE 4.37Å; T243-M247 HydrophobicContact CG2-CG 4.31Å; T243-M247 VanDerWaalsContact O-CG 3.22Å; T243-M247 WeakPolarHBondContact O-CG 3.45Å; T243-M247 PolarHBondContact O-N 3.18Å; T243-F256 HydrophobicContact CG2-CE1 3.97Å; T243-F256 HydrophobicContact CG2-CE2 4.11Å; T243-F256 HydrophobicContact CG2-CZ 3.72Å; T243-T285 HydrophobicContact CG2-CG2 3.8Å
244	H	88.4	Confident	86.5	Confident	8 Å²	8	29.3 Å²	29.3	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-56.1	-48.4	175.9	-178.3	-97.6	0	0	0	112.1	L240 R241 M247 L248 V288	L240-H244 WeakPolarHBondContact O-CB 3.36Å; L240-H244 PolarHBondContact O-N 2.91Å; R241-H244 WeakPolarHBondContact O-CB 3.45Å; R241-H244 PolarHBondContact O-N 3.06Å; H244-M247 PolarHBondContact O-N 3.38Å; H244-L248 VanDerWaalsContact CE1-CD1 3.49Å; H244-L248 WeakPolarHBondContact CE1-CD1 3.27Å; H244-L248 WeakPolarHBondContact O-CG 3.18Å; H244-L248 PolarHBondContact O-N 3.46Å; H244-V288 WeakPolarHBondContact NE2-CG2 3.35Å
245	L	86.6	Confident	86.7	Confident	36 Å²	36	27.8 Å²	27.8	19%	0.188	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-43.5	178.6	-74.8	170	0	0	0	113	T194 R241 L242 T243 M247 L248 K249	T194-L245 HydrophobicContact CG2-CD1 3.83Å; R241-L245 PolarHBondContact O-N 3.49Å; L242-L245 PolarHBondContact O-N 3.04Å; T243-L245 PolarHBondContact O-N 3.24Å; L245-M247 VanDerWaalsContact C-N 3.35Å; L245-M247 PolarHBondContact O-N 3.18Å; L245-L248 PolarHBondContact O-N 3.47Å; L245-K249 WeakPolarHBondContact O-CG 3.46Å; L245-K249 PolarHBondContact O-N 3.06Å; L245-K249 VanDerWaalsContact O-N 3.08Å
246	L	85.8	Confident	87	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.8	-40.8	178.6	-78.4	172.9	0	0	0	111.8	L167 L197 V220 L224 L242 T243 L248 K249 Y250 W252	L167-L246 HydrophobicContact CD1-CD2 4.47Å; L197-L246 HydrophobicContact CD1-CD2 3.56Å; L197-L246 HydrophobicContact CD1-CG 3.84Å; L197-L246 HydrophobicContact CD2-CD2 4.01Å; L197-L246 HydrophobicContact CG-CD2 4.45Å; V220-L246 HydrophobicContact CG1-CD1 4.49Å; L224-L246 HydrophobicContact CD1-CD1 3.73Å; L242-L246 HydrophobicContact CD1-CD1 3.84Å; L242-L246 HydrophobicContact CD1-CG 3.95Å; L242-L246 HydrophobicContact CG-CD1 3.97Å; L242-L246 HydrophobicContact CG-CG 4.49Å; L242-L246 WeakPolarHBondContact O-CB 3.48Å; L242-L246 WeakPolarHBondContact O-CG 3.26Å; L242-L246 PolarHBondContact O-N 3.48Å; T243-L246 PolarHBondContact O-N 3.45Å; L246-L248 VanDerWaalsContact C-N 3.28Å; L246-L248 PolarHBondContact O-N 2.99Å; L246-K249 PolarHBondContact O-N 3.48Å; L246-Y250 HydrophobicContact CD2-CD2 3.77Å; L246-Y250 HydrophobicContact CD2-CE2 3.78Å; L246-Y250 PolarHBondContact O-N 3.35Å; L246-W252 HydrophobicContact CD1-CZ3 4.47Å; L246-W252 HydrophobicContact CD2-CZ3 3.91Å
247	M	87.7	Confident	87	Confident	6 Å²	6	27.9 Å²	27.9	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-71.2	-21.8	179.2	-63.5	-55.1	141	0	0	113.4	L221 T243 H244 L245 W252 R253 F256 V288 I289	L221-M247 HydrophobicContact CD2-CE 4.07Å; T243-M247 HydrophobicContact CG2-CE 4.37Å; T243-M247 HydrophobicContact CG2-CG 4.31Å; T243-M247 VanDerWaalsContact O-CG 3.22Å; T243-M247 WeakPolarHBondContact O-CG 3.45Å; T243-M247 PolarHBondContact O-N 3.18Å; H244-M247 PolarHBondContact O-N 3.38Å; L245-M247 VanDerWaalsContact C-N 3.35Å; L245-M247 PolarHBondContact O-N 3.18Å; M247-W252 HydrophobicContact CE-CB 4.16Å; M247-W252 HydrophobicContact SD-CB 4.16Å; M247-R253 HydrophobicContact CB-CG 4.08Å; M247-R253 HydrophobicContact CG-CG 4.34Å; M247-R253 HydrophobicContact SD-CB 4.37Å; M247-R253 HydrophobicContact SD-CG 3.89Å; M247-F256 HydrophobicContact CE-CB 3.57Å; M247-F256 HydrophobicContact CE-CD1 4.3Å; M247-F256 HydrophobicContact CE-CD2 4.01Å; M247-F256 HydrophobicContact CE-CG 3.69Å; M247-F256 HydrophobicContact SD-CB 4.16Å; M247-V288 HydrophobicContact CB-CG1 3.7Å; M247-I289 HydrophobicContact CG-CG1 4.13Å
248	L	82.7	Confident	87.1	Confident	76 Å²	76	31.2 Å²	31.2	40%	0.398	15%	0.154	S	C	.	.	H	α-helix	trans	-80.1	-33.1	170.6	-72.6	174	0	0	0	112.6	H244 L245 L246 V288	H244-L248 VanDerWaalsContact CE1-CD1 3.49Å; H244-L248 WeakPolarHBondContact CE1-CD1 3.27Å; H244-L248 WeakPolarHBondContact O-CG 3.18Å; H244-L248 PolarHBondContact O-N 3.46Å; L245-L248 PolarHBondContact O-N 3.47Å; L246-L248 VanDerWaalsContact C-N 3.28Å; L246-L248 PolarHBondContact O-N 2.99Å; L248-V288 HydrophobicContact CD2-CG1 3.89Å; L248-V288 HydrophobicContact CD2-CG2 3.98Å; L248-V288 HydrophobicContact CG-CG1 4.11Å; L248-V288 HydrophobicContact CG-CG2 4.33Å
249	K	79.1	Confident	87.2	Confident	101 Å²	101	34.4 Å²	34.4	44%	0.439	17%	0.169	S	C	.	.	H	α-helix	trans	-87.9	-32	-177.2	-71.4	-168.7	179	-159.3	0	114.3	L197 L245 L246	L197-K249 HydrophobicContact CD2-CD 4.49Å; L197-K249 PolarHBondContact O-NZ 3.37Å; L245-K249 WeakPolarHBondContact O-CG 3.46Å; L245-K249 PolarHBondContact O-N 3.06Å; L245-K249 VanDerWaalsContact O-N 3.08Å; L246-K249 PolarHBondContact O-N 3.48Å
250	Y	79.8	Confident	87.2	Confident	62 Å²	62	35.7 Å²	35.7	24%	0.243	18%	0.182	C	C	.	.	S	Bend	trans	-125.7	147.3	-174.8	-61.4	-77	0	0	0	111.9	L197 L246 W252	L197-Y250 HydrophobicContact CD2-CE2 4.24Å; L246-Y250 HydrophobicContact CD2-CD2 3.77Å; L246-Y250 HydrophobicContact CD2-CE2 3.78Å; L246-Y250 PolarHBondContact O-N 3.35Å; Y250-W252 HydrophobicContact CD1-CH2 4.45Å; Y250-W252 AromaticContact CD1-CZ2 3.84Å; Y250-W252 HydrophobicContact CD1-CZ2 3.84Å; Y250-W252 HydrophobicContact CD2-CD2 4.47Å; Y250-W252 HydrophobicContact CD2-CE3 4.33Å; Y250-W252 AromaticContact CD2-CH2 3.85Å; Y250-W252 HydrophobicContact CD2-CH2 3.85Å; Y250-W252 AromaticContact CD2-CZ2 4Å; Y250-W252 HydrophobicContact CD2-CZ2 4Å; Y250-W252 HydrophobicContact CD2-CZ3 4.04Å; Y250-W252 HydrophobicContact CE1-CZ2 4.24Å; Y250-W252 HydrophobicContact CE2-CH2 4.07Å; Y250-W252 HydrophobicContact CE2-CZ2 4.38Å; Y250-W252 HydrophobicContact CG-CD2 4.12Å; Y250-W252 AromaticContact CG-CE2 3.73Å; Y250-W252 HydrophobicContact CG-CE3 4.44Å; Y250-W252 HydrophobicContact CG-CH2 4.06Å; Y250-W252 AromaticContact CG-CZ2 3.7Å; Y250-W252 HydrophobicContact CG-CZ2 3.7Å; Y250-W252 HydrophobicContact CG-CZ3 4.42Å; Y250-W252 PolarHBondContact O-N 3.2Å
251	E	81.8	Confident	87.3	Confident	152 Å²	152	35.7 Å²	35.7	71%	0.71	18%	0.182	S	C	*	.	S	Bend	trans	-77.3	55.1	174.1	-62.5	-167.9	156.9	0	0	112.3
252	W	88.5	Confident	87.4	Confident	20 Å²	20	34.6 Å²	34.6	8%	0.076	18%	0.178	C	C	.	.			trans	-103.9	2.2	-177	-62.3	-9.1	0	0	0	114	L164 L167 R217 V220 L221 L246 M247 Y250 V254 C255 F256	L164-W252 HydrophobicContact CD1-CH2 3.53Å; L164-W252 HydrophobicContact CD1-CZ2 3.64Å; L167-W252 HydrophobicContact CD1-CH2 4.37Å; R217-W252 HydrophobicContact CG-CD2 3.91Å; R217-W252 HydrophobicContact CG-CE3 4.38Å; R217-W252 HydrophobicContact CG-CG 4.22Å; R217-W252 HydrophobicContact CG-CZ2 4.19Å; V220-W252 HydrophobicContact CG1-CZ3 4.41Å; L221-W252 HydrophobicContact CD2-CB 4.36Å; L221-W252 HydrophobicContact CD2-CE3 4.2Å; L246-W252 HydrophobicContact CD1-CZ3 4.47Å; L246-W252 HydrophobicContact CD2-CZ3 3.91Å; M247-W252 HydrophobicContact CE-CB 4.16Å; M247-W252 HydrophobicContact SD-CB 4.16Å; Y250-W252 HydrophobicContact CD1-CH2 4.45Å; Y250-W252 AromaticContact CD1-CZ2 3.84Å; Y250-W252 HydrophobicContact CD1-CZ2 3.84Å; Y250-W252 HydrophobicContact CD2-CD2 4.47Å; Y250-W252 HydrophobicContact CD2-CE3 4.33Å; Y250-W252 AromaticContact CD2-CH2 3.85Å; Y250-W252 HydrophobicContact CD2-CH2 3.85Å; Y250-W252 AromaticContact CD2-CZ2 4Å; Y250-W252 HydrophobicContact CD2-CZ2 4Å; Y250-W252 HydrophobicContact CD2-CZ3 4.04Å; Y250-W252 HydrophobicContact CE1-CZ2 4.24Å; Y250-W252 HydrophobicContact CE2-CH2 4.07Å; Y250-W252 HydrophobicContact CE2-CZ2 4.38Å; Y250-W252 HydrophobicContact CG-CD2 4.12Å; Y250-W252 AromaticContact CG-CE2 3.73Å; Y250-W252 HydrophobicContact CG-CE3 4.44Å; Y250-W252 HydrophobicContact CG-CH2 4.06Å; Y250-W252 AromaticContact CG-CZ2 3.7Å; Y250-W252 HydrophobicContact CG-CZ2 3.7Å; Y250-W252 HydrophobicContact CG-CZ3 4.42Å; Y250-W252 PolarHBondContact O-N 3.2Å; W252-V254 PolarHBondContact O-N 2.96Å; W252-C255 PolarHBondContact O-N 3.48Å; W252-F256 WeakPolarHBondContact O-CB 3.3Å; W252-F256 PolarHBondContact O-N 3.16Å
253	R	89.1	Confident	87.5	Confident	17 Å²	17	40.2 Å²	40.2	6%	0.064	20%	0.202	C	C	.	.	H	α-helix	trans	-52.1	-50.8	-174.8	-68.4	179.6	-74.6	-174.3	-2.8	113.2	M247 F256 A257 V288 L304 L306	M247-R253 HydrophobicContact CB-CG 4.08Å; M247-R253 HydrophobicContact CG-CG 4.34Å; M247-R253 HydrophobicContact SD-CB 4.37Å; M247-R253 HydrophobicContact SD-CG 3.89Å; R253-F256 PolarHBondContact O-N 3.21Å; R253-A257 PolarHBondContact O-N 2.98Å; R253-A257 VanDerWaalsContact O-N 3.09Å; R253-V288 WeakPolarHBondContact CD-O 3.46Å; R253-L304 VanDerWaalsContact CZ-O 3.27Å; R253-L304 PolarHBondContact NH1-O 2.63Å; R253-L304 PolarHBondContact NH2-O 3.01Å; R253-L306 HydrophobicContact CB-CD2 4.04Å
254	V	88.4	Confident	87.6	Confident	39 Å²	39	40.9 Å²	40.9	24%	0.236	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-46.3	179.9	179.7	0	0	0	0	110.9	W252 F256 A257 T258 L306 M313	W252-V254 PolarHBondContact O-N 2.96Å; V254-F256 VanDerWaalsContact C-N 3.31Å; V254-F256 PolarHBondContact O-N 3.48Å; V254-A257 PolarHBondContact O-N 3.19Å; V254-A257 VanDerWaalsContact O-N 3.14Å; V254-T258 HydrophobicContact CG1-CG2 4.48Å; V254-T258 WeakPolarHBondContact O-CG2 3.3Å; V254-T258 PolarHBondContact O-N 2.92Å; V254-T258 PolarHBondContact O-OG1 3.3Å; V254-L306 HydrophobicContact CG2-CD2 4.34Å; V254-M313 HydrophobicContact CG1-CE 4.38Å; V254-M313 HydrophobicContact CG1-CG 4.34Å; V254-M313 HydrophobicContact CG1-SD 3.25Å; V254-M313 WeakPolarHBondContact CG1-SD 3.32Å
255	C	88.3	Confident	87.8	Confident	26 Å²	26	40.5 Å²	40.5	18%	0.176	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-38.8	179.4	-56.1	0	0	0	0	112.4	R217 L221 W252 A257 T258 E259	R217-C255 PolarHBondContact NH2-SG 3.37Å; L221-C255 HydrophobicContact CD1-CB 3.61Å; W252-C255 PolarHBondContact O-N 3.48Å; C255-A257 VanDerWaalsContact C-N 3.35Å; C255-T258 WeakPolarHBondContact CA-OG1 3.35Å; C255-T258 PolarHBondContact O-N 2.98Å; C255-T258 PolarHBondContact O-OG1 3.05Å; C255-E259 WeakPolarHBondContact O-CG 3.47Å; C255-E259 PolarHBondContact O-N 2.51Å; C255-E259 VanDerWaalsContact O-N 3.16Å
256	F	91.8	Very high	88	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-42	174.8	179.6	-106.9	0	0	0	111.6	L221 L224 V225 L228 T243 M247 W252 R253 V254 E259 G261 V265 I289	L221-F256 HydrophobicContact CD2-CB 4Å; L221-F256 HydrophobicContact CD2-CD2 3.96Å; L221-F256 HydrophobicContact CD2-CG 4.46Å; L224-F256 HydrophobicContact CB-CE2 4.1Å; V225-F256 HydrophobicContact CG2-CD2 4.37Å; V225-F256 HydrophobicContact CG2-CE2 3.93Å; L228-F256 HydrophobicContact CD1-CE2 4.44Å; L228-F256 HydrophobicContact CD1-CZ 3.8Å; T243-F256 HydrophobicContact CG2-CE1 3.97Å; T243-F256 HydrophobicContact CG2-CE2 4.11Å; T243-F256 HydrophobicContact CG2-CZ 3.72Å; M247-F256 HydrophobicContact CE-CB 3.57Å; M247-F256 HydrophobicContact CE-CD1 4.3Å; M247-F256 HydrophobicContact CE-CD2 4.01Å; M247-F256 HydrophobicContact CE-CG 3.69Å; M247-F256 HydrophobicContact SD-CB 4.16Å; W252-F256 WeakPolarHBondContact O-CB 3.3Å; W252-F256 PolarHBondContact O-N 3.16Å; R253-F256 PolarHBondContact O-N 3.21Å; V254-F256 VanDerWaalsContact C-N 3.31Å; V254-F256 PolarHBondContact O-N 3.48Å; F256-E259 PolarHBondContact O-N 3.08Å; F256-G261 VanDerWaalsContact CZ-CA 3.46Å; F256-G261 WeakPolarHBondContact O-CA 3.48Å; F256-G261 PolarHBondContact O-N 3.01Å; F256-V265 HydrophobicContact CE1-CG2 4.4Å; F256-V265 HydrophobicContact CZ-CG2 4.47Å; F256-I289 HydrophobicContact CD1-CD1 3.78Å; F256-I289 HydrophobicContact CD1-CG1 4.34Å; F256-I289 HydrophobicContact CE1-CD1 3.53Å
257	A	89.4	Confident	88.2	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-41.8	177.8	0	0	0	0	0	112.3	R253 V254 C255 E259 G260 V262 M314 I317	R253-A257 PolarHBondContact O-N 2.98Å; R253-A257 VanDerWaalsContact O-N 3.09Å; V254-A257 PolarHBondContact O-N 3.19Å; V254-A257 VanDerWaalsContact O-N 3.14Å; C255-A257 VanDerWaalsContact C-N 3.35Å; A257-E259 VanDerWaalsContact C-N 3.31Å; A257-E259 PolarHBondContact O-N 3.16Å; A257-G260 PolarHBondContact O-N 3.01Å; A257-V262 HydrophobicContact CB-CG2 3.7Å; A257-M314 HydrophobicContact CB-CE 3.75Å; A257-M314 HydrophobicContact CB-SD 3.28Å; A257-M314 WeakPolarHBondContact CB-SD 3.32Å; A257-I317 HydrophobicContact CB-CD1 3.6Å
258	T	88.9	Confident	88.4	Confident	82 Å²	82	40.6 Å²	40.6	50%	0.503	21%	0.21	S	C	.	.	H	α-helix	trans	-66.3	-30.2	178.5	52.9	0	0	0	0	113.4	V254 C255 G260 M313 I317	V254-T258 HydrophobicContact CG1-CG2 4.48Å; V254-T258 WeakPolarHBondContact O-CG2 3.3Å; V254-T258 PolarHBondContact O-N 2.92Å; V254-T258 PolarHBondContact O-OG1 3.3Å; C255-T258 WeakPolarHBondContact CA-OG1 3.35Å; C255-T258 PolarHBondContact O-N 2.98Å; C255-T258 PolarHBondContact O-OG1 3.05Å; T258-G260 PolarHBondContact O-N 3.27Å; T258-M313 HydrophobicContact CG2-SD 3.63Å; T258-I317 HydrophobicContact CG2-CD1 4.23Å
259	E	88.5	Confident	88.8	Confident	69 Å²	69	37 Å²	37	32%	0.322	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	6.4	173.6	-69.5	-69.3	152	0	0	113	K222 V225 C255 F256 A257	K222-E259 WeakPolarHBondContact CE-OE2 3.2Å; K222-E259 WeakPolarHBondContact CG-OE2 3.3Å; K222-E259 IonicContact NZ-OE2 2.82Å; V225-E259 HydrophobicContact CG2-CB 4.49Å; C255-E259 WeakPolarHBondContact O-CG 3.47Å; C255-E259 PolarHBondContact O-N 2.51Å; C255-E259 VanDerWaalsContact O-N 3.16Å; F256-E259 PolarHBondContact O-N 3.08Å; A257-E259 VanDerWaalsContact C-N 3.31Å; A257-E259 PolarHBondContact O-N 3.16Å
260	G	89.6	Confident	89.4	Confident	27 Å²	27	36.4 Å²	36.4	28%	0.278	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	12.5	179	0	0	0	0	0	114.5	A257 T258 V262 K263 A264	A257-G260 PolarHBondContact O-N 3.01Å; T258-G260 PolarHBondContact O-N 3.27Å; G260-V262 PolarHBondContact O-N 3.42Å; G260-K263 WeakPolarHBondContact O-CB 3.5Å; G260-K263 PolarHBondContact O-N 3.06Å; G260-A264 PolarHBondContact O-N 2.86Å
261	G	91.2	Very high	89.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-37.6	-178.7	0	0	0	0	0	114.3	F256 K263 A264 V265	F256-G261 VanDerWaalsContact CZ-CA 3.46Å; F256-G261 WeakPolarHBondContact O-CA 3.48Å; F256-G261 PolarHBondContact O-N 3.01Å; G261-K263 VanDerWaalsContact C-N 3.33Å; G261-K263 PolarHBondContact O-N 3.32Å; G261-A264 PolarHBondContact O-N 3.43Å; G261-V265 WeakPolarHBondContact O-CG2 3.25Å; G261-V265 PolarHBondContact O-N 3.15Å
262	V	91.5	Very high	90.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-44	175.4	175.7	0	0	0	0	110.9	A257 G260 A264 V265 L266 I289 M314 I317 F318 I321	A257-V262 HydrophobicContact CB-CG2 3.7Å; G260-V262 PolarHBondContact O-N 3.42Å; V262-A264 PolarHBondContact O-N 2.97Å; V262-V265 PolarHBondContact O-N 3.47Å; V262-L266 HydrophobicContact CG1-CD1 4.2Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.26Å; V262-I289 HydrophobicContact CG2-CG2 4.07Å; V262-M314 HydrophobicContact CG2-CE 3.88Å; V262-I317 HydrophobicContact CB-CG2 4.3Å; V262-I317 HydrophobicContact CG2-CG2 4.49Å; V262-F318 HydrophobicContact CG1-CD1 4.22Å; V262-F318 HydrophobicContact CG1-CD2 4.09Å; V262-F318 HydrophobicContact CG1-CE1 3.74Å; V262-F318 HydrophobicContact CG1-CE2 3.59Å; V262-F318 HydrophobicContact CG1-CG 4.39Å; V262-F318 HydrophobicContact CG1-CZ 3.4Å; V262-F318 HydrophobicContact CG2-CE2 4.21Å; V262-I321 HydrophobicContact CB-CD1 4.15Å; V262-I321 HydrophobicContact CG1-CD1 3.74Å
263	K	91	Very high	90.1	Very high	121 Å²	121	34.6 Å²	34.6	53%	0.526	19%	0.192	S	C	.	.	H	α-helix	trans	-61.5	-44.6	176.4	-175.7	-175.6	176.8	-178.6	0	110.8	G260 G261 V265 L266 S267 I321 L332	G260-K263 WeakPolarHBondContact O-CB 3.5Å; G260-K263 PolarHBondContact O-N 3.06Å; G261-K263 VanDerWaalsContact C-N 3.33Å; G261-K263 PolarHBondContact O-N 3.32Å; K263-V265 PolarHBondContact O-N 2.94Å; K263-L266 PolarHBondContact O-N 3.47Å; K263-S267 WeakPolarHBondContact O-CB 3.48Å; K263-S267 PolarHBondContact O-N 3.36Å; K263-S267 PolarHBondContact O-OG 3.43Å; K263-S267 VanDerWaalsContact O-OG 3.09Å; K263-I321 HydrophobicContact CB-CD1 4.04Å; K263-I321 HydrophobicContact CB-CG1 4.43Å; K263-L332 HydrophobicContact CG-CD1 3.81Å
264	A	91.1	Very high	89.9	Confident	13 Å²	13	39.3 Å²	39.3	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-40.8	179	0	0	0	0	0	112.8	V225 L228 G260 G261 V262 S267 C268	V225-A264 HydrophobicContact CG1-CB 3.97Å; L228-A264 HydrophobicContact CB-CB 3.99Å; L228-A264 HydrophobicContact CD1-CB 4.3Å; G260-A264 PolarHBondContact O-N 2.86Å; G261-A264 PolarHBondContact O-N 3.43Å; V262-A264 PolarHBondContact O-N 2.97Å; A264-S267 PolarHBondContact O-N 2.7Å; A264-C268 PolarHBondContact O-N 3.25Å
265	V	92.8	Very high	89.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174.7	176.2	0	0	0	0	111.3	L228 L240 F256 G261 V262 K263 S267 C268 M269 A282 L286	L228-V265 HydrophobicContact CD1-CG2 3.8Å; L240-V265 HydrophobicContact CD2-CG1 4.26Å; L240-V265 HydrophobicContact CD2-CG2 4.23Å; F256-V265 HydrophobicContact CE1-CG2 4.4Å; F256-V265 HydrophobicContact CZ-CG2 4.47Å; G261-V265 WeakPolarHBondContact O-CG2 3.25Å; G261-V265 PolarHBondContact O-N 3.15Å; V262-V265 PolarHBondContact O-N 3.47Å; K263-V265 PolarHBondContact O-N 2.94Å; V265-S267 PolarHBondContact O-N 3.05Å; V265-C268 PolarHBondContact O-N 2.9Å; V265-C268 PolarHBondContact O-SG 3.36Å; V265-M269 HydrophobicContact CG1-SD 4.41Å; V265-M269 WeakPolarHBondContact O-CG 3.48Å; V265-M269 PolarHBondContact O-N 3.15Å; V265-A282 HydrophobicContact CG1-CB 4.11Å; V265-L286 HydrophobicContact CB-CD2 4.34Å; V265-L286 HydrophobicContact CG1-CD1 4.28Å; V265-L286 HydrophobicContact CG1-CD2 3.89Å; V265-L286 HydrophobicContact CG1-CG 3.86Å
266	L	90.7	Very high	89.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-37.7	177.7	-65.4	172.7	0	0	0	112.2	V262 K263 M269 Q270 L286 F318 I321 L332 L333 I336	V262-L266 HydrophobicContact CG1-CD1 4.2Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.26Å; K263-L266 PolarHBondContact O-N 3.47Å; L266-M269 HydrophobicContact CD2-SD 4.29Å; L266-M269 PolarHBondContact O-N 3.48Å; L266-Q270 PolarHBondContact O-N 3.26Å; L266-L286 HydrophobicContact CD2-CD1 4.04Å; L266-F318 HydrophobicContact CD1-CE1 4.22Å; L266-I321 HydrophobicContact CD1-CD1 4.44Å; L266-I321 HydrophobicContact CD1-CG2 4.13Å; L266-L332 HydrophobicContact CB-CB 4.09Å; L266-L332 HydrophobicContact CB-CD2 4.42Å; L266-L332 HydrophobicContact CD1-CB 4.35Å; L266-L333 HydrophobicContact CD1-CD2 4.11Å; L266-I336 HydrophobicContact CD2-CD1 4.04Å; L266-I336 HydrophobicContact CD2-CG1 3.84Å
267	S	90.3	Very high	89.6	Confident	44 Å²	44	42.9 Å²	42.9	31%	0.308	24%	0.24	S	C	.	.	H	α-helix	trans	-62.9	-41.9	174	-67.2	0	0	0	0	111.7	K263 A264 V265 M269 Q270 E271	K263-S267 WeakPolarHBondContact O-CB 3.48Å; K263-S267 PolarHBondContact O-N 3.36Å; K263-S267 PolarHBondContact O-OG 3.43Å; K263-S267 VanDerWaalsContact O-OG 3.09Å; A264-S267 PolarHBondContact O-N 2.7Å; V265-S267 PolarHBondContact O-N 3.05Å; S267-M269 VanDerWaalsContact C-N 3.33Å; S267-M269 PolarHBondContact O-N 3.33Å; S267-Q270 WeakPolarHBondContact O-CB 3.37Å; S267-Q270 PolarHBondContact O-N 3.08Å; S267-Q270 VanDerWaalsContact O-N 3.12Å; S267-E271 PolarHBondContact O-N 3.07Å
268	C	91	Very high	89.5	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-36.5	177.2	95	0	0	0	0	111.5	L228 V236 A264 V265 Q270 E271 F272	L228-C268 WeakPolarHBondContact O-CB 3.37Å; V236-C268 HydrophobicContact CG1-CB 4.03Å; A264-C268 PolarHBondContact O-N 3.25Å; V265-C268 PolarHBondContact O-N 2.9Å; V265-C268 PolarHBondContact O-SG 3.36Å; C268-Q270 VanDerWaalsContact C-N 3.27Å; C268-Q270 PolarHBondContact O-N 3.48Å; C268-E271 PolarHBondContact O-N 3.26Å; C268-F272 WeakPolarHBondContact O-CD2 3.39Å; C268-F272 PolarHBondContact O-N 3.27Å
269	M	92.1	Very high	89.6	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-34.4	172.2	-69.9	176.1	67.1	0	0	112.3	V265 L266 S267 S273 L279 A282 L283 L286 A339	V265-M269 HydrophobicContact CG1-SD 4.41Å; V265-M269 WeakPolarHBondContact O-CG 3.48Å; V265-M269 PolarHBondContact O-N 3.15Å; L266-M269 HydrophobicContact CD2-SD 4.29Å; L266-M269 PolarHBondContact O-N 3.48Å; S267-M269 VanDerWaalsContact C-N 3.33Å; S267-M269 PolarHBondContact O-N 3.33Å; M269-S273 VanDerWaalsContact O-CA 3.26Å; M269-S273 WeakPolarHBondContact O-CA 3.12Å; M269-S273 PolarHBondContact O-N 3.19Å; M269-L279 HydrophobicContact CB-CD2 3.86Å; M269-L279 HydrophobicContact CE-CD2 4.18Å; M269-L279 HydrophobicContact CG-CD2 3.98Å; M269-A282 HydrophobicContact CG-CB 3.37Å; M269-A282 HydrophobicContact SD-CB 3.62Å; M269-L283 HydrophobicContact CE-CD2 3.83Å; M269-L283 HydrophobicContact CE-CG 4.35Å; M269-L286 HydrophobicContact SD-CD1 3.69Å; M269-A339 HydrophobicContact CE-CB 3.72Å
270	Q	90.8	Very high	89.7	Confident	88 Å²	88	37 Å²	37	41%	0.411	21%	0.206	S	C	.	.	H	α-helix	trans	-69.4	-47.7	176.3	-165.8	173.2	29.2	0	0	111.6	L266 S267 C268 S273 K330 L332 T335	L266-Q270 PolarHBondContact O-N 3.26Å; S267-Q270 WeakPolarHBondContact O-CB 3.37Å; S267-Q270 PolarHBondContact O-N 3.08Å; S267-Q270 VanDerWaalsContact O-N 3.12Å; C268-Q270 VanDerWaalsContact C-N 3.27Å; C268-Q270 PolarHBondContact O-N 3.48Å; Q270-S273 WeakPolarHBondContact O-CB 3.29Å; Q270-S273 PolarHBondContact O-OG 3.27Å; Q270-K330 PolarHBondContact NE2-O 3.4Å; Q270-L332 HydrophobicContact CB-CD2 4.49Å; Q270-L332 VanDerWaalsContact OE1-CD2 3.23Å; Q270-T335 HydrophobicContact CB-CG2 3.67Å; Q270-T335 HydrophobicContact CG-CG2 4.13Å
271	E	88.6	Confident	89.7	Confident	106 Å²	106	35.8 Å²	35.8	50%	0.495	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-44.5	-179.6	-172.6	174.6	176.7	0	0	111.6	S267 C268	S267-E271 PolarHBondContact O-N 3.07Å; C268-E271 PolarHBondContact O-N 3.26Å
272	F	88.6	Confident	89.6	Confident	25 Å²	25	35.8 Å²	35.8	11%	0.11	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	37.2	-179.8	-60	-77	0	0	0	112.9	R233 V236 C268 T274 V275 V278	R233-F272 HydrophobicContact CB-CE1 4.16Å; V236-F272 HydrophobicContact CB-CE2 4.38Å; V236-F272 HydrophobicContact CG1-CD2 4.41Å; V236-F272 HydrophobicContact CG1-CE2 4.4Å; V236-F272 HydrophobicContact CG2-CE2 3.91Å; V236-F272 HydrophobicContact CG2-CZ 4.48Å; C268-F272 WeakPolarHBondContact O-CD2 3.39Å; C268-F272 PolarHBondContact O-N 3.27Å; F272-T274 PolarHBondContact O-N 3.15Å; F272-V275 HydrophobicContact CB-CB 4.27Å; F272-V275 HydrophobicContact CB-CG2 4.25Å; F272-V275 HydrophobicContact CD1-CG2 4.31Å; F272-V275 PolarHBondContact O-N 2.97Å; F272-V278 HydrophobicContact CB-CB 4.11Å; F272-V278 HydrophobicContact CB-CG1 3.87Å; F272-V278 HydrophobicContact CB-CG2 4.19Å; F272-V278 HydrophobicContact CD2-CG1 4.46Å; F272-V278 HydrophobicContact CG-CG1 4.41Å; F272-V278 HydrophobicContact CG-CG2 4.44Å
273	S	87.6	Confident	89.6	Confident	66 Å²	66	35.8 Å²	35.8	46%	0.462	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.6	-174.2	56.3	0	0	0	0	115.9	M269 Q270 L342	M269-S273 VanDerWaalsContact O-CA 3.26Å; M269-S273 WeakPolarHBondContact O-CA 3.12Å; M269-S273 PolarHBondContact O-N 3.19Å; Q270-S273 WeakPolarHBondContact O-CB 3.29Å; Q270-S273 PolarHBondContact O-OG 3.27Å; S273-L342 WeakPolarHBondContact O-CD2 3.41Å
274	T	86.8	Confident	89.5	Confident	116 Å²	116	30.1 Å²	30.1	71%	0.712	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-9.9	176.2	56.6	0	0	0	0	113.4	F272 V276	F272-T274 PolarHBondContact O-N 3.15Å; T274-V276 PolarHBondContact O-N 2.75Å
275	V	87.5	Confident	89.4	Confident	41 Å²	41	29.5 Å²	29.5	25%	0.248	16%	0.164	C	C	.	.			trans	-94.8	99	-173.6	-173.7	0	0	0	0	109.9	F272 H277 V278 L279	F272-V275 HydrophobicContact CB-CB 4.27Å; F272-V275 HydrophobicContact CB-CG2 4.25Å; F272-V275 HydrophobicContact CD1-CG2 4.31Å; F272-V275 PolarHBondContact O-N 2.97Å; V275-H277 VanDerWaalsContact C-N 3.3Å; V275-H277 PolarHBondContact O-N 2.7Å; V275-V278 HydrophobicContact CB-CB 4.29Å; V275-V278 HydrophobicContact CB-CG2 4.09Å; V275-V278 HydrophobicContact CG1-CB 4.27Å; V275-V278 HydrophobicContact CG1-CG2 3.73Å; V275-V278 PolarHBondContact O-N 2.94Å; V275-V278 VanDerWaalsContact O-N 3.13Å; V275-L279 PolarHBondContact O-N 3.3Å
276	V	87.1	Confident	89.4	Confident	42 Å²	42	29.5 Å²	29.5	26%	0.255	16%	0.164	S	C	.	.	H	α-helix	trans	-51.1	-47.1	-177.1	179.4	0	0	0	0	112.1	T274 V278 L279 Q280 L342	T274-V276 PolarHBondContact O-N 2.75Å; V276-V278 VanDerWaalsContact C-N 3.34Å; V276-V278 PolarHBondContact O-N 2.7Å; V276-L279 PolarHBondContact O-N 3.33Å; V276-L279 VanDerWaalsContact O-N 3.15Å; V276-Q280 HydrophobicContact CG1-CG 4.04Å; V276-Q280 VanDerWaalsContact O-CG 3.3Å; V276-Q280 WeakPolarHBondContact O-CG 3.37Å; V276-Q280 PolarHBondContact O-N 3.49Å; V276-L342 HydrophobicContact CG2-CD2 4.17Å
277	H	86.4	Confident	89.3	Confident	57 Å²	57	29.7 Å²	29.7	26%	0.264	16%	0.164	S	C	.	.	H	α-helix	trans	-59.4	-39.7	-177.6	-167.1	83.8	0	0	0	113.6	P134 R241 V275 L281	P134-H277 VanDerWaalsContact CB-CE1 3.48Å; P134-H277 WeakPolarHBondContact CB-CE1 3.47Å; P134-H277 WeakPolarHBondContact CB-ND1 3.46Å; R241-H277 PolarHBondContact NH2-CE1 2.67Å; R241-H277 VanDerWaalsContact NH2-CE1 3.27Å; R241-H277 PolarHBondContact NH2-NE2 3.29Å; R241-H277 VanDerWaalsContact NH2-NE2 3.15Å; V275-H277 VanDerWaalsContact C-N 3.3Å; V275-H277 PolarHBondContact O-N 2.7Å; H277-L281 WeakPolarHBondContact O-CG 3.35Å; H277-L281 PolarHBondContact O-N 3.04Å
278	V	88.4	Confident	89.2	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.1	-44	178	175.3	0	0	0	0	109.8	R233 V236 V237 L240 F272 V275 V276 L281 A282	R233-V278 HydrophobicContact CG-CG2 4.23Å; V236-V278 HydrophobicContact CG1-CG1 4.24Å; V237-V278 HydrophobicContact CG2-CG2 3.71Å; L240-V278 HydrophobicContact CD1-CG1 3.98Å; F272-V278 HydrophobicContact CB-CB 4.11Å; F272-V278 HydrophobicContact CB-CG1 3.87Å; F272-V278 HydrophobicContact CB-CG2 4.19Å; F272-V278 HydrophobicContact CD2-CG1 4.46Å; F272-V278 HydrophobicContact CG-CG1 4.41Å; F272-V278 HydrophobicContact CG-CG2 4.44Å; V275-V278 HydrophobicContact CB-CB 4.29Å; V275-V278 HydrophobicContact CB-CG2 4.09Å; V275-V278 HydrophobicContact CG1-CB 4.27Å; V275-V278 HydrophobicContact CG1-CG2 3.73Å; V275-V278 PolarHBondContact O-N 2.94Å; V275-V278 VanDerWaalsContact O-N 3.13Å; V276-V278 VanDerWaalsContact C-N 3.34Å; V276-V278 PolarHBondContact O-N 2.7Å; V278-L281 PolarHBondContact O-N 3.44Å; V278-A282 VanDerWaalsContact O-CB 3.27Å; V278-A282 WeakPolarHBondContact O-CB 3.49Å; V278-A282 PolarHBondContact O-N 2.95Å
279	L	90.6	Very high	89.1	Confident	3 Å²	3	27.9 Å²	27.9	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-38.7	-179.9	-61.1	175.8	0	0	0	112.5	M269 V275 V276 A282 L283 A339 L342 M343	M269-L279 HydrophobicContact CB-CD2 3.86Å; M269-L279 HydrophobicContact CE-CD2 4.18Å; M269-L279 HydrophobicContact CG-CD2 3.98Å; V275-L279 PolarHBondContact O-N 3.3Å; V276-L279 PolarHBondContact O-N 3.33Å; V276-L279 VanDerWaalsContact O-N 3.15Å; L279-A282 PolarHBondContact O-N 3.24Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.43Å; L279-A339 HydrophobicContact CB-CB 4.32Å; L279-A339 HydrophobicContact CD1-CB 4.11Å; L279-A339 HydrophobicContact CD2-CB 4.08Å; L279-A339 HydrophobicContact CG-CB 4.41Å; L279-L342 HydrophobicContact CD1-CD2 3.7Å; L279-M343 HydrophobicContact CB-CE 3.4Å; L279-M343 WeakPolarHBondContact O-CE 3.45Å
280	Q	89.9	Confident	88.7	Confident	27 Å²	27	28 Å²	28	13%	0.126	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-48.6	175.9	-69.6	-178.8	-57.6	0	0	111.3	P134 V276 A284 M343 C349 S352	P134-Q280 HydrophobicContact CG-CB 4.17Å; V276-Q280 HydrophobicContact CG1-CG 4.04Å; V276-Q280 VanDerWaalsContact O-CG 3.3Å; V276-Q280 WeakPolarHBondContact O-CG 3.37Å; V276-Q280 PolarHBondContact O-N 3.49Å; Q280-A284 PolarHBondContact O-N 3.22Å; Q280-A284 VanDerWaalsContact O-N 3.13Å; Q280-M343 HydrophobicContact CG-CE 4.45Å; Q280-C349 PolarHBondContact NE2-SG 2.95Å; Q280-S352 VanDerWaalsContact CG-OG 3.3Å; Q280-S352 WeakPolarHBondContact CG-OG 3.39Å
281	L	88.6	Confident	88.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-42.9	176.8	-72.7	170.3	0	0	0	111.5	L133 P134 V237 L240 R241 H277 V278 L283 A284 T285	L133-L281 HydrophobicContact CD2-CD2 3.65Å; P134-L281 HydrophobicContact CG-CG 4.49Å; V237-L281 HydrophobicContact CB-CD1 4.42Å; V237-L281 HydrophobicContact CG1-CD1 3.71Å; L240-L281 HydrophobicContact CB-CB 4.16Å; L240-L281 HydrophobicContact CD1-CB 4.19Å; R241-L281 HydrophobicContact CG-CD1 3.99Å; R241-L281 HydrophobicContact CG-CD2 3.78Å; H277-L281 WeakPolarHBondContact O-CG 3.35Å; H277-L281 PolarHBondContact O-N 3.04Å; V278-L281 PolarHBondContact O-N 3.44Å; L281-L283 PolarHBondContact O-N 3.32Å; L281-A284 PolarHBondContact O-N 2.83Å; L281-T285 WeakPolarHBondContact O-CB 3.35Å; L281-T285 PolarHBondContact O-N 3.06Å; L281-T285 PolarHBondContact O-OG1 3.08Å
282	A	90.7	Very high	87.9	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-42.8	179.4	0	0	0	0	0	112.2	L240 V265 M269 V278 L279 T285 L286	L240-A282 HydrophobicContact CD1-CB 4.17Å; L240-A282 HydrophobicContact CD2-CB 4.38Å; V265-A282 HydrophobicContact CG1-CB 4.11Å; M269-A282 HydrophobicContact CG-CB 3.37Å; M269-A282 HydrophobicContact SD-CB 3.62Å; V278-A282 VanDerWaalsContact O-CB 3.27Å; V278-A282 WeakPolarHBondContact O-CB 3.49Å; V278-A282 PolarHBondContact O-N 2.95Å; L279-A282 PolarHBondContact O-N 3.24Å; A282-T285 PolarHBondContact O-N 3.25Å; A282-L286 WeakPolarHBondContact O-CB 3.37Å; A282-L286 VanDerWaalsContact O-CG 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.14Å; A282-L286 PolarHBondContact O-N 3.23Å
283	L	90.9	Very high	87.1	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.2	-38.5	175.6	-71.1	-173.7	0	0	0	112.7	M269 L279 L281 L286 K287 I336 I340 M343 S352 N355	M269-L283 HydrophobicContact CE-CD2 3.83Å; M269-L283 HydrophobicContact CE-CG 4.35Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.43Å; L281-L283 PolarHBondContact O-N 3.32Å; L283-L286 HydrophobicContact CD2-CD1 4.45Å; L283-L286 PolarHBondContact O-N 3.39Å; L283-K287 WeakPolarHBondContact O-CB 3.31Å; L283-K287 PolarHBondContact O-N 3.32Å; L283-I336 HydrophobicContact CD2-CG2 4.17Å; L283-I340 HydrophobicContact CD1-CG1 4.42Å; L283-M343 HydrophobicContact CD1-CE 3.33Å; L283-M343 HydrophobicContact CD1-SD 3.48Å; L283-M343 WeakPolarHBondContact CD1-SD 3.44Å; L283-M343 HydrophobicContact CG-CE 3.96Å; L283-S352 WeakPolarHBondContact CD1-O 3.47Å; L283-N355 HydrophobicContact CB-CB 4.35Å
284	A	89	Confident	86.1	Confident	2 Å²	2	23.1 Å²	23.1	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-45.2	173.5	0	0	0	0	0	111.3	L133 Q280 L281 L286 K287 V288	L133-A284 HydrophobicContact CD2-CB 4.11Å; Q280-A284 PolarHBondContact O-N 3.22Å; Q280-A284 VanDerWaalsContact O-N 3.13Å; L281-A284 PolarHBondContact O-N 2.83Å; A284-L286 PolarHBondContact O-N 3.02Å; A284-K287 WeakPolarHBondContact O-CB 3.27Å; A284-K287 PolarHBondContact O-N 3.47Å; A284-V288 PolarHBondContact O-N 3.49Å
285	T	89.5	Confident	84.7	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-42.9	175.8	-55.3	0	0	0	0	111.7	L240 T243 L281 A282 V288 I289	L240-T285 PolarHBondContact O-OG1 3.41Å; T243-T285 HydrophobicContact CG2-CG2 3.8Å; L281-T285 WeakPolarHBondContact O-CB 3.35Å; L281-T285 PolarHBondContact O-N 3.06Å; L281-T285 PolarHBondContact O-OG1 3.08Å; A282-T285 PolarHBondContact O-N 3.25Å; T285-V288 PolarHBondContact O-N 3.47Å; T285-I289 HydrophobicContact CG2-CD1 3.67Å; T285-I289 HydrophobicContact CG2-CG1 4.35Å; T285-I289 WeakPolarHBondContact O-CB 3.28Å; T285-I289 VanDerWaalsContact O-CG1 3.23Å; T285-I289 WeakPolarHBondContact O-CG1 3.47Å; T285-I289 PolarHBondContact O-N 3.42Å
286	L	91.2	Very high	83.5	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-40	175.2	-73.7	176	0	0	0	112.3	V265 L266 M269 A282 L283 A284 V288 I289 T290 F318 I336 V359	V265-L286 HydrophobicContact CB-CD2 4.34Å; V265-L286 HydrophobicContact CG1-CD1 4.28Å; V265-L286 HydrophobicContact CG1-CD2 3.89Å; V265-L286 HydrophobicContact CG1-CG 3.86Å; L266-L286 HydrophobicContact CD2-CD1 4.04Å; M269-L286 HydrophobicContact SD-CD1 3.69Å; A282-L286 WeakPolarHBondContact O-CB 3.37Å; A282-L286 VanDerWaalsContact O-CG 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.14Å; A282-L286 PolarHBondContact O-N 3.23Å; L283-L286 HydrophobicContact CD2-CD1 4.45Å; L283-L286 PolarHBondContact O-N 3.39Å; A284-L286 PolarHBondContact O-N 3.02Å; L286-V288 VanDerWaalsContact C-N 3.34Å; L286-V288 PolarHBondContact O-N 3.43Å; L286-I289 PolarHBondContact O-N 3.25Å; L286-T290 WeakPolarHBondContact O-CB 3.4Å; L286-T290 VanDerWaalsContact O-CG2 3.32Å; L286-T290 WeakPolarHBondContact O-CG2 3.19Å; L286-T290 PolarHBondContact O-N 2.93Å; L286-T290 PolarHBondContact O-OG1 2.96Å; L286-F318 HydrophobicContact CD2-CZ 4.18Å; L286-I336 HydrophobicContact CD1-CD1 4.47Å; L286-I336 HydrophobicContact CD1-CG1 4.35Å; L286-V359 HydrophobicContact CB-CG2 4.16Å
287	K	90	Very high	81.8	Confident	4 Å²	4	17.1 Å²	17.1	2%	0.017	8%	0.084	C	C	.	.	H	α-helix	trans	-56.4	-46.7	174.1	170.2	-174.8	171.9	-173.8	0	111.5	E132 L283 A284 T290 G291 A292 D296 N355 L358 V359	E132-K287 IonicContact OE1-NZ 3.07Å; E132-K287 PolarHBondContact OE1-NZ 3.35Å; L283-K287 WeakPolarHBondContact O-CB 3.31Å; L283-K287 PolarHBondContact O-N 3.32Å; A284-K287 WeakPolarHBondContact O-CB 3.27Å; A284-K287 PolarHBondContact O-N 3.47Å; K287-T290 PolarHBondContact O-OG1 2.76Å; K287-G291 PolarHBondContact O-N 2.87Å; K287-G291 VanDerWaalsContact O-N 3.15Å; K287-A292 HydrophobicContact CG-CB 4.45Å; K287-A292 PolarHBondContact O-N 3.24Å; K287-A292 VanDerWaalsContact O-N 3.1Å; K287-D296 IonicContact NZ-OD2 3.88Å; K287-D296 PolarHBondContact NZ-OD2 2.89Å; K287-N355 HydrophobicContact CB-CB 4.5Å; K287-N355 HydrophobicContact CD-CB 4.21Å; K287-N355 WeakPolarHBondContact CD-OD1 3.34Å; K287-N355 PolarHBondContact NZ-OD1 2.94Å; K287-N355 VanDerWaalsContact NZ-OD1 3.16Å; K287-L358 HydrophobicContact CD-CD1 4.27Å; K287-V359 HydrophobicContact CB-CG2 4.2Å
288	V	87.9	Confident	80.1	Confident	7 Å²	7	23.3 Å²	23.3	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-68.5	-45.3	179.4	176.3	0	0	0	0	111.5	H244 M247 L248 R253 A284 T285 L286 T290 G291	H244-V288 WeakPolarHBondContact NE2-CG2 3.35Å; M247-V288 HydrophobicContact CB-CG1 3.7Å; L248-V288 HydrophobicContact CD2-CG1 3.89Å; L248-V288 HydrophobicContact CD2-CG2 3.98Å; L248-V288 HydrophobicContact CG-CG1 4.11Å; L248-V288 HydrophobicContact CG-CG2 4.33Å; R253-V288 WeakPolarHBondContact CD-O 3.46Å; A284-V288 PolarHBondContact O-N 3.49Å; T285-V288 PolarHBondContact O-N 3.47Å; L286-V288 VanDerWaalsContact C-N 3.34Å; L286-V288 PolarHBondContact O-N 3.43Å; V288-T290 PolarHBondContact O-N 2.97Å; V288-G291 PolarHBondContact O-N 3.37Å
289	I	88.2	Confident	78.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.6	-45.6	-179.7	-74.4	169.7	0	0	0	111.2	M247 F256 V262 T285 L286 G291 M314	M247-I289 HydrophobicContact CG-CG1 4.13Å; F256-I289 HydrophobicContact CD1-CD1 3.78Å; F256-I289 HydrophobicContact CD1-CG1 4.34Å; F256-I289 HydrophobicContact CE1-CD1 3.53Å; V262-I289 HydrophobicContact CG2-CG2 4.07Å; T285-I289 HydrophobicContact CG2-CD1 3.67Å; T285-I289 HydrophobicContact CG2-CG1 4.35Å; T285-I289 WeakPolarHBondContact O-CB 3.28Å; T285-I289 VanDerWaalsContact O-CG1 3.23Å; T285-I289 WeakPolarHBondContact O-CG1 3.47Å; T285-I289 PolarHBondContact O-N 3.42Å; L286-I289 PolarHBondContact O-N 3.25Å; I289-G291 VanDerWaalsContact C-N 3.3Å; I289-G291 PolarHBondContact O-N 3.48Å; I289-M314 HydrophobicContact CG2-CE 3.2Å
290	T	84.9	Confident	75.2	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-77.2	-12.9	-179.4	55	0	0	0	0	113.6	L286 K287 V288 A292 L306 F318	L286-T290 WeakPolarHBondContact O-CB 3.4Å; L286-T290 VanDerWaalsContact O-CG2 3.32Å; L286-T290 WeakPolarHBondContact O-CG2 3.19Å; L286-T290 PolarHBondContact O-N 2.93Å; L286-T290 PolarHBondContact O-OG1 2.96Å; K287-T290 PolarHBondContact O-OG1 2.76Å; V288-T290 PolarHBondContact O-N 2.97Å; T290-A292 PolarHBondContact O-N 3.01Å; T290-A292 WeakPolarHBondContact OG1-CB 3.43Å; T290-L306 WeakPolarHBondContact O-CD1 3.3Å; T290-F318 HydrophobicContact CG2-CE2 3.61Å; T290-F318 HydrophobicContact CG2-CZ 3.77Å
291	G	81.4	Confident	72.9	Confident	9 Å²	9	33.9 Å²	33.9	9%	0.093	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	19.4	-174.3	0	0	0	0	0	113.6	K287 V288 I289 S293 K294	K287-G291 PolarHBondContact O-N 2.87Å; K287-G291 VanDerWaalsContact O-N 3.15Å; V288-G291 PolarHBondContact O-N 3.37Å; I289-G291 VanDerWaalsContact C-N 3.3Å; I289-G291 PolarHBondContact O-N 3.48Å; G291-S293 PolarHBondContact O-N 2.87Å; G291-S293 VanDerWaalsContact O-N 3.07Å; G291-K294 PolarHBondContact O-N 3.39Å
292	A	79.5	Confident	70.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-66.2	-8.9	-177	0	0	0	0	0	114	K287 T290 K294 H295 L358 V359 M362	K287-A292 HydrophobicContact CG-CB 4.45Å; K287-A292 PolarHBondContact O-N 3.24Å; K287-A292 VanDerWaalsContact O-N 3.1Å; T290-A292 PolarHBondContact O-N 3.01Å; T290-A292 WeakPolarHBondContact OG1-CB 3.43Å; A292-K294 PolarHBondContact O-N 3.05Å; A292-K294 VanDerWaalsContact O-N 3.13Å; A292-H295 PolarHBondContact O-N 3.25Å; A292-H295 VanDerWaalsContact O-N 3.09Å; A292-L358 HydrophobicContact CB-CB 4.07Å; A292-V359 HydrophobicContact CB-CG2 4.39Å; A292-M362 HydrophobicContact CB-CB 3.95Å; A292-M362 HydrophobicContact CB-CG 4.41Å
293	S	72.8	Confident	69.2	Low	11 Å²	11	38.3 Å²	38.3	8%	0.077	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-56.1	-22.2	171.2	50.9	0	0	0	0	113.9	G291 H295 D296 S303	G291-S293 PolarHBondContact O-N 2.87Å; G291-S293 VanDerWaalsContact O-N 3.07Å; S293-H295 PolarHBondContact O-N 3.42Å; S293-D296 WeakPolarHBondContact O-CB 3.32Å; S293-D296 PolarHBondContact O-N 3.06Å; S293-D296 VanDerWaalsContact O-N 3.1Å; S293-S303 VanDerWaalsContact CB-OG 3.3Å; S293-S303 WeakPolarHBondContact CB-OG 3.34Å; S293-S303 PolarHBondContact OG-OG 3.42Å
294	K	65.8	Low	67.6	Low	163 Å²	163	44 Å²	44	71%	0.709	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-57.3	-30.5	173.3	-174.5	-177.2	175	-171.1	0	113.1	G291 A292	G291-K294 PolarHBondContact O-N 3.39Å; A292-K294 PolarHBondContact O-N 3.05Å; A292-K294 VanDerWaalsContact O-N 3.13Å
295	H	57.6	Low	66.5	Low	20 Å²	20	48.5 Å²	48.5	9%	0.093	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-92.6	4	-178.3	-57.7	-88.9	0	0	0	112.7	A292 S293 L297 L358 E441	A292-H295 PolarHBondContact O-N 3.25Å; A292-H295 VanDerWaalsContact O-N 3.09Å; S293-H295 PolarHBondContact O-N 3.42Å; H295-L297 PolarHBondContact O-N 3.12Å; H295-L358 VanDerWaalsContact C-CD2 3.44Å; H295-L358 HydrophobicContact CB-CD2 3.64Å; H295-L358 VanDerWaalsContact O-CD2 3.31Å; H295-L358 WeakPolarHBondContact O-CD2 3.16Å; H295-E441 IonicContact CE1-OE1 2.75Å; H295-E441 PolarHBondContact CE1-OE1 2.86Å; H295-E441 IonicContact CE1-OE2 3.43Å; H295-E441 VanDerWaalsContact ND1-CD 3.26Å; H295-E441 IonicContact ND1-OE1 3.37Å; H295-E441 PolarHBondContact ND1-OE1 3.33Å; H295-E441 IonicContact ND1-OE2 3.64Å; H295-E441 PolarHBondContact ND1-OE2 3.36Å
296	D	62.7	Low	65.8	Low	19 Å²	19	49.8 Å²	49.8	10%	0.102	28%	0.284	C	S	.	.			trans	-90	105.4	-175.2	-165.3	-8.3	0	0	0	112.1	K287 S293 R298 S299 R354 L358	K287-D296 IonicContact NZ-OD2 3.88Å; K287-D296 PolarHBondContact NZ-OD2 2.89Å; S293-D296 WeakPolarHBondContact O-CB 3.32Å; S293-D296 PolarHBondContact O-N 3.06Å; S293-D296 VanDerWaalsContact O-N 3.1Å; D296-R298 PolarHBondContact O-N 3.33Å; D296-R298 PolarHBondContact OD1-N 3.26Å; D296-S299 PolarHBondContact O-N 3.41Å; D296-R354 IonicContact OD1-CZ 3.12Å; D296-R354 VanDerWaalsContact OD1-CZ 3.23Å; D296-R354 IonicContact OD1-NE 2.7Å; D296-R354 PolarHBondContact OD1-NE 3.31Å; D296-R354 VanDerWaalsContact OD1-NE 3.07Å; D296-R354 IonicContact OD1-NH2 3.23Å; D296-R354 PolarHBondContact OD1-NH2 2.98Å; D296-L358 HydrophobicContact CB-CD1 3.81Å; D296-L358 HydrophobicContact CB-CD2 4.33Å
297	L	51.8	Low	65.3	Low	35 Å²	35	53 Å²	53	18%	0.183	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.8	-179.5	-68.1	165.8	0	0	0	115	H295 M395 T437 T439	H295-L297 PolarHBondContact O-N 3.12Å; L297-M395 HydrophobicContact CD1-CE 4.39Å; L297-M395 HydrophobicContact CD1-SD 3.67Å; L297-T437 WeakPolarHBondContact CD2-O 3.35Å; L297-T439 HydrophobicContact CD2-CG2 3.51Å; L297-T439 HydrophobicContact CG-CG2 4.48Å
298	R	49.8	Very low	64.7	Low	186 Å²	186	61.5 Å²	61.5	70%	0.702	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-12.6	-176.9	-71.3	-177.2	-176.8	177.7	-0.9	113.7	D296 V300	D296-R298 PolarHBondContact O-N 3.33Å; D296-R298 PolarHBondContact OD1-N 3.26Å; R298-V300 PolarHBondContact O-N 3.16Å
299	S	47.1	Very low	64.4	Low	32 Å²	32	65.5 Å²	65.5	22%	0.224	38%	0.375	C	S	.	.			trans	-100.2	78.4	-173.3	94.5	0	0	0	0	111.6	D296 G301 S302	D296-S299 PolarHBondContact O-N 3.41Å; S299-G301 PolarHBondContact O-N 3.43Å; S299-G301 VanDerWaalsContact O-N 3.1Å; S299-S302 PolarHBondContact OG-OG 3.11Å
300	V	30.4	Very low	64.2	Low	144 Å²	144	65.6 Å²	65.6	87%	0.873	38%	0.376	S	S	*	.	S	Bend	trans	-73.8	99.4	165.5	-179.7	0	0	0	0	107.9	R298	R298-V300 PolarHBondContact O-N 3.16Å
301	G	41.8	Very low	64.2	Low	77 Å²	77	67.1 Å²	67.1	79%	0.794	39%	0.385	S	S	*	.	S	Bend	trans	93.4	20.7	163.3	0	0	0	0	0	118.5	S299	S299-G301 PolarHBondContact O-N 3.43Å; S299-G301 VanDerWaalsContact O-N 3.1Å
302	S	45.9	Very low	64.4	Low	60 Å²	60	70.6 Å²	70.6	42%	0.42	40%	0.399	S	S	.	.	S	Bend	trans	-81.3	-20.8	-176.7	63.9	0	0	0	0	115.6	S299	S299-S302 PolarHBondContact OG-OG 3.11Å
303	S	54.8	Low	64.7	Low	33 Å²	33	74.4 Å²	74.4	23%	0.231	42%	0.418	C	S	.	.	S	Bend	trans	-156.8	144.9	179.7	49.9	0	0	0	0	112.1	S293	S293-S303 VanDerWaalsContact CB-OG 3.3Å; S293-S303 WeakPolarHBondContact CB-OG 3.34Å; S293-S303 PolarHBondContact OG-OG 3.42Å
304	L	58.4	Low	65.5	Low	120 Å²	120	74 Å²	74	63%	0.628	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-66.4	135.5	173.7	-85	93.5	0	0	0	109.8	R253	R253-L304 VanDerWaalsContact CZ-O 3.27Å; R253-L304 PolarHBondContact NH1-O 2.63Å; R253-L304 PolarHBondContact NH2-O 3.01Å
305	P	65.4	Low	66.6	Low	95 Å²	95	66.4 Å²	66.4	62%	0.617	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-61.7	149	173.3	26.2	-32.6	0	0	0	110.7
306	L	74.9	Confident	68.1	Low	27 Å²	27	70.4 Å²	70.4	14%	0.141	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-66.1	152.9	170.4	-73.6	168.6	0	0	0	109.8	R253 V254 T290 T311 M314	R253-L306 HydrophobicContact CB-CD2 4.04Å; V254-L306 HydrophobicContact CG2-CD2 4.34Å; T290-L306 WeakPolarHBondContact O-CD1 3.3Å; L306-T311 WeakPolarHBondContact CB-OG1 3.29Å; L306-M314 HydrophobicContact CD1-CG 4.08Å
307	S	80.1	Confident	69.3	Low	69 Å²	69	71 Å²	71	48%	0.483	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-63.4	157.8	166.8	64.4	0	0	0	0	110.3	S309 G310 T311	S307-S309 VanDerWaalsContact C-N 3.27Å; S307-S309 PolarHBondContact O-N 2.66Å; S307-S309 PolarHBondContact OG-OG 3.38Å; S307-S309 VanDerWaalsContact OG-OG 3.08Å; S307-G310 PolarHBondContact O-N 2.94Å; S307-G310 VanDerWaalsContact O-N 3.1Å; S307-G310 PolarHBondContact OG-N 3.41Å; S307-T311 PolarHBondContact O-N 2.88Å; S307-T311 PolarHBondContact O-OG1 3.32Å
308	E	77.9	Confident	71.2	Confident	182 Å²	182	69.4 Å²	69.4	85%	0.85	40%	0.395	S	S	*	.	H	α-helix	trans	-56.7	-43.3	176.2	-67.9	-177.7	164.1	0	0	111.5	G310 T311 Q312	E308-G310 PolarHBondContact O-N 3.37Å; E308-T311 PolarHBondContact O-N 3.28Å; E308-Q312 PolarHBondContact O-N 3.35Å
309	S	81.9	Confident	73	Confident	90 Å²	90	61.1 Å²	61.1	63%	0.629	37%	0.366	S	S	*	.	H	α-helix	trans	-63.5	-38.3	174.9	57.6	0	0	0	0	113.4	S307 M313	S307-S309 VanDerWaalsContact C-N 3.27Å; S307-S309 PolarHBondContact O-N 2.66Å; S307-S309 PolarHBondContact OG-OG 3.38Å; S307-S309 VanDerWaalsContact OG-OG 3.08Å; S309-M313 PolarHBondContact O-N 2.91Å; S309-M313 VanDerWaalsContact O-N 3.08Å
310	G	82.6	Confident	75	Confident	3 Å²	3	63 Å²	63	3%	0.031	38%	0.38	C	S	.	.	H	α-helix	trans	-67.8	-41	176.7	0	0	0	0	0	111.6	S307 E308 M313 M314	S307-G310 PolarHBondContact O-N 2.94Å; S307-G310 VanDerWaalsContact O-N 3.1Å; S307-G310 PolarHBondContact OG-N 3.41Å; E308-G310 PolarHBondContact O-N 3.37Å; G310-M313 PolarHBondContact O-N 3.29Å; G310-M314 VanDerWaalsContact O-CG 3.27Å; G310-M314 WeakPolarHBondContact O-CG 3.45Å; G310-M314 PolarHBondContact O-N 3.38Å
311	T	85.1	Confident	77.7	Confident	34 Å²	34	57 Å²	57	21%	0.209	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-44.5	176.9	-52.2	0	0	0	0	111.1	L306 S307 E308 M314 L315 M362	L306-T311 WeakPolarHBondContact CB-OG1 3.29Å; S307-T311 PolarHBondContact O-N 2.88Å; S307-T311 PolarHBondContact O-OG1 3.32Å; E308-T311 PolarHBondContact O-N 3.28Å; T311-M314 PolarHBondContact O-N 2.8Å; T311-L315 WeakPolarHBondContact O-CG 3.47Å; T311-L315 PolarHBondContact O-N 3.44Å; T311-M362 HydrophobicContact CG2-CE 3.54Å; T311-M362 HydrophobicContact CG2-SD 4.08Å
312	Q	85.8	Confident	79.6	Confident	83 Å²	83	53.6 Å²	53.6	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-45.7	175.9	-176.6	59.8	30.1	0	0	112.1	E308 M314 L315 E316	E308-Q312 PolarHBondContact O-N 3.35Å; Q312-M314 VanDerWaalsContact C-N 3.32Å; Q312-M314 PolarHBondContact O-N 3.15Å; Q312-L315 WeakPolarHBondContact O-CB 3.35Å; Q312-L315 PolarHBondContact O-N 3.48Å; Q312-E316 PolarHBondContact NE2-OE1 2.98Å; Q312-E316 WeakPolarHBondContact O-CG 3.34Å; Q312-E316 PolarHBondContact O-N 2.83Å
313	M	87.3	Confident	81.4	Confident	80 Å²	80	54.7 Å²	54.7	39%	0.394	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-40.2	177.4	-172.4	178.3	-66.4	0	0	112	V254 T258 S309 G310 E316 I317	V254-M313 HydrophobicContact CG1-CE 4.38Å; V254-M313 HydrophobicContact CG1-CG 4.34Å; V254-M313 HydrophobicContact CG1-SD 3.25Å; V254-M313 WeakPolarHBondContact CG1-SD 3.32Å; T258-M313 HydrophobicContact CG2-SD 3.63Å; S309-M313 PolarHBondContact O-N 2.91Å; S309-M313 VanDerWaalsContact O-N 3.08Å; G310-M313 PolarHBondContact O-N 3.29Å; M313-E316 PolarHBondContact O-N 3.42Å; M313-I317 HydrophobicContact CG-CD1 4.18Å; M313-I317 VanDerWaalsContact O-CG1 3.28Å; M313-I317 WeakPolarHBondContact O-CG1 3.48Å; M313-I317 PolarHBondContact O-N 3.32Å; M313-I317 VanDerWaalsContact O-N 3.08Å
314	M	88.6	Confident	82.6	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-47.4	175.2	-69.4	-57.9	-65.4	0	0	111.4	A257 V262 I289 L306 G310 T311 Q312 E316 I317 F318	A257-M314 HydrophobicContact CB-CE 3.75Å; A257-M314 HydrophobicContact CB-SD 3.28Å; A257-M314 WeakPolarHBondContact CB-SD 3.32Å; V262-M314 HydrophobicContact CG2-CE 3.88Å; I289-M314 HydrophobicContact CG2-CE 3.2Å; L306-M314 HydrophobicContact CD1-CG 4.08Å; G310-M314 VanDerWaalsContact O-CG 3.27Å; G310-M314 WeakPolarHBondContact O-CG 3.45Å; G310-M314 PolarHBondContact O-N 3.38Å; T311-M314 PolarHBondContact O-N 2.8Å; Q312-M314 VanDerWaalsContact C-N 3.32Å; Q312-M314 PolarHBondContact O-N 3.15Å; M314-E316 VanDerWaalsContact C-N 3.34Å; M314-E316 PolarHBondContact O-N 2.94Å; M314-I317 PolarHBondContact O-N 2.99Å; M314-F318 HydrophobicContact CE-CE2 4.29Å; M314-F318 WeakPolarHBondContact O-CD2 3.32Å; M314-F318 PolarHBondContact O-N 3.47Å; M314-F318 VanDerWaalsContact O-N 3.09Å
315	L	88.5	Confident	83.2	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-58.1	-44.6	177.2	-72.7	169.1	0	0	0	112	T311 Q312 I317 F318 A319 M362 L363 H367 L370	T311-L315 WeakPolarHBondContact O-CG 3.47Å; T311-L315 PolarHBondContact O-N 3.44Å; Q312-L315 WeakPolarHBondContact O-CB 3.35Å; Q312-L315 PolarHBondContact O-N 3.48Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 3.38Å; L315-F318 PolarHBondContact O-N 3.49Å; L315-A319 WeakPolarHBondContact O-CB 3.38Å; L315-A319 PolarHBondContact O-N 3.24Å; L315-M362 HydrophobicContact CD1-CE 3.84Å; L315-M362 HydrophobicContact CD2-CE 3.37Å; L315-M362 HydrophobicContact CG-CE 3.55Å; L315-L363 HydrophobicContact CD2-CD2 4.32Å; L315-H367 HydrophobicContact CD1-CB 4.38Å; L315-H367 HydrophobicContact CD2-CB 4.11Å; L315-L370 HydrophobicContact CB-CD1 4.37Å; L315-L370 HydrophobicContact CD2-CD1 3.86Å; L315-L370 WeakPolarHBondContact O-CD1 3.47Å
316	E	88.6	Confident	83.2	Confident	105 Å²	105	53.5 Å²	53.5	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-37.9	178.1	-73.3	171.7	-167.1	0	0	112.6	Q312 M313 M314 A319 S320	Q312-E316 PolarHBondContact NE2-OE1 2.98Å; Q312-E316 WeakPolarHBondContact O-CG 3.34Å; Q312-E316 PolarHBondContact O-N 2.83Å; M313-E316 PolarHBondContact O-N 3.42Å; M314-E316 VanDerWaalsContact C-N 3.34Å; M314-E316 PolarHBondContact O-N 2.94Å; E316-A319 PolarHBondContact O-N 3.45Å; E316-S320 VanDerWaalsContact O-CB 3.3Å; E316-S320 WeakPolarHBondContact O-CB 3.4Å; E316-S320 PolarHBondContact O-N 2.72Å
317	I	89.3	Confident	82.1	Confident	32 Å²	32	62 Å²	62	16%	0.164	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-46.3	175.1	-68.5	165.7	0	0	0	110.6	A257 T258 V262 M313 M314 L315 A319 S320 I321	A257-I317 HydrophobicContact CB-CD1 3.6Å; T258-I317 HydrophobicContact CG2-CD1 4.23Å; V262-I317 HydrophobicContact CB-CG2 4.3Å; V262-I317 HydrophobicContact CG2-CG2 4.49Å; M313-I317 HydrophobicContact CG-CD1 4.18Å; M313-I317 VanDerWaalsContact O-CG1 3.28Å; M313-I317 WeakPolarHBondContact O-CG1 3.48Å; M313-I317 PolarHBondContact O-N 3.32Å; M313-I317 VanDerWaalsContact O-N 3.08Å; M314-I317 PolarHBondContact O-N 2.99Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 3.38Å; I317-A319 VanDerWaalsContact C-N 3.35Å; I317-A319 PolarHBondContact O-N 3.02Å; I317-S320 PolarHBondContact O-N 2.72Å; I317-I321 HydrophobicContact CG2-CD1 3.97Å; I317-I321 VanDerWaalsContact O-CG1 3.27Å; I317-I321 WeakPolarHBondContact O-CG1 3.48Å; I317-I321 PolarHBondContact O-N 3.16Å
318	F	90.6	Very high	80.8	Confident	0 Å²	0	63 Å²	63	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-62.3	-42.2	175.7	-86.6	-90	0	0	0	111.7	V262 L266 L286 T290 M314 L315 S320 I321 G322 L333 I336 L363 L370	V262-F318 HydrophobicContact CG1-CD1 4.22Å; V262-F318 HydrophobicContact CG1-CD2 4.09Å; V262-F318 HydrophobicContact CG1-CE1 3.74Å; V262-F318 HydrophobicContact CG1-CE2 3.59Å; V262-F318 HydrophobicContact CG1-CG 4.39Å; V262-F318 HydrophobicContact CG1-CZ 3.4Å; V262-F318 HydrophobicContact CG2-CE2 4.21Å; L266-F318 HydrophobicContact CD1-CE1 4.22Å; L286-F318 HydrophobicContact CD2-CZ 4.18Å; T290-F318 HydrophobicContact CG2-CE2 3.61Å; T290-F318 HydrophobicContact CG2-CZ 3.77Å; M314-F318 HydrophobicContact CE-CE2 4.29Å; M314-F318 WeakPolarHBondContact O-CD2 3.32Å; M314-F318 PolarHBondContact O-N 3.47Å; M314-F318 VanDerWaalsContact O-N 3.09Å; L315-F318 PolarHBondContact O-N 3.49Å; F318-S320 VanDerWaalsContact C-N 3.34Å; F318-S320 PolarHBondContact O-N 3.07Å; F318-I321 PolarHBondContact O-N 3.03Å; F318-G322 PolarHBondContact O-N 2.92Å; F318-L333 HydrophobicContact CD1-CD2 3.7Å; F318-L333 HydrophobicContact CE1-CD2 4.42Å; F318-I336 HydrophobicContact CE1-CD1 4.37Å; F318-L363 HydrophobicContact CB-CD2 3.88Å; F318-L363 HydrophobicContact CD1-CD1 4.01Å; F318-L363 HydrophobicContact CD1-CD2 3.79Å; F318-L363 HydrophobicContact CD2-CD2 3.74Å; F318-L363 HydrophobicContact CE1-CD1 4.11Å; F318-L363 HydrophobicContact CE1-CD2 4.21Å; F318-L363 HydrophobicContact CE2-CD2 4.17Å; F318-L363 HydrophobicContact CG-CD2 3.53Å; F318-L363 HydrophobicContact CZ-CD2 4.39Å; F318-L370 HydrophobicContact CB-CD1 3.97Å; F318-L370 HydrophobicContact CB-CD2 3.89Å
319	A	87.8	Confident	80.1	Confident	12 Å²	12	57.2 Å²	57.2	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-63.6	-41.1	178.9	0	0	0	0	0	111.7	L315 E316 I317 G322 S323 L370 Q373	L315-A319 WeakPolarHBondContact O-CB 3.38Å; L315-A319 PolarHBondContact O-N 3.24Å; E316-A319 PolarHBondContact O-N 3.45Å; I317-A319 VanDerWaalsContact C-N 3.35Å; I317-A319 PolarHBondContact O-N 3.02Å; A319-G322 PolarHBondContact O-N 3.43Å; A319-S323 WeakPolarHBondContact O-CB 3.31Å; A319-S323 PolarHBondContact O-N 2.92Å; A319-S323 PolarHBondContact O-OG 3.35Å; A319-L370 HydrophobicContact CB-CD1 4.23Å; A319-L370 HydrophobicContact CB-CD2 4.34Å; A319-L370 HydrophobicContact CB-CG 3.93Å; A319-Q373 PolarHBondContact O-NE2 3.45Å
320	S	89.2	Confident	79.3	Confident	72 Å²	72	60.8 Å²	60.8	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-46.9	174.2	180	0	0	0	0	111.2	E316 I317 F318 G322 S323 A324	E316-S320 VanDerWaalsContact O-CB 3.3Å; E316-S320 WeakPolarHBondContact O-CB 3.4Å; E316-S320 PolarHBondContact O-N 2.72Å; I317-S320 PolarHBondContact O-N 2.72Å; F318-S320 VanDerWaalsContact C-N 3.34Å; F318-S320 PolarHBondContact O-N 3.07Å; S320-G322 VanDerWaalsContact C-N 3.33Å; S320-G322 PolarHBondContact O-N 3.47Å; S320-S323 WeakPolarHBondContact CA-OG 3.35Å; S320-S323 PolarHBondContact O-N 3.28Å; S320-S323 PolarHBondContact O-OG 2.88Å; S320-A324 WeakPolarHBondContact O-CB 3.36Å; S320-A324 PolarHBondContact O-N 2.91Å
321	I	86.8	Confident	79.2	Confident	19 Å²	19	61 Å²	61	10%	0.097	37%	0.366	C	S	.	.	H	α-helix	trans	-58.9	-44	175.5	-68.8	165.5	0	0	0	111.2	V262 K263 L266 I317 F318 T325 L332	V262-I321 HydrophobicContact CB-CD1 4.15Å; V262-I321 HydrophobicContact CG1-CD1 3.74Å; K263-I321 HydrophobicContact CB-CD1 4.04Å; K263-I321 HydrophobicContact CB-CG1 4.43Å; L266-I321 HydrophobicContact CD1-CD1 4.44Å; L266-I321 HydrophobicContact CD1-CG2 4.13Å; I317-I321 HydrophobicContact CG2-CD1 3.97Å; I317-I321 VanDerWaalsContact O-CG1 3.27Å; I317-I321 WeakPolarHBondContact O-CG1 3.48Å; I317-I321 PolarHBondContact O-N 3.16Å; F318-I321 PolarHBondContact O-N 3.03Å; I321-T325 WeakPolarHBondContact O-CG2 3.47Å; I321-L332 HydrophobicContact CG2-CB 3.89Å; I321-L332 HydrophobicContact CG2-CD1 4.06Å
322	G	82.5	Confident	79.1	Confident	5 Å²	5	60.6 Å²	60.6	5%	0.052	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-41.4	176.6	0	0	0	0	0	113	F318 A319 S320 A324 T325 L333	F318-G322 PolarHBondContact O-N 2.92Å; A319-G322 PolarHBondContact O-N 3.43Å; S320-G322 VanDerWaalsContact C-N 3.33Å; S320-G322 PolarHBondContact O-N 3.47Å; G322-A324 VanDerWaalsContact C-N 3.34Å; G322-A324 PolarHBondContact O-N 3.29Å; G322-T325 WeakPolarHBondContact O-CG2 3.49Å; G322-T325 PolarHBondContact O-N 3.36Å; G322-T325 PolarHBondContact O-OG1 3.13Å; G322-L333 VanDerWaalsContact CA-CD1 3.44Å
323	S	83.4	Confident	79.2	Confident	83 Å²	83	56.8 Å²	56.8	58%	0.58	35%	0.345	S	S	*	.	H	α-helix	trans	-70.4	-27.1	180	70.3	0	0	0	0	113.9	A319 S320 T325	A319-S323 WeakPolarHBondContact O-CB 3.31Å; A319-S323 PolarHBondContact O-N 2.92Å; A319-S323 PolarHBondContact O-OG 3.35Å; S320-S323 WeakPolarHBondContact CA-OG 3.35Å; S320-S323 PolarHBondContact O-N 3.28Å; S320-S323 PolarHBondContact O-OG 2.88Å; S323-T325 PolarHBondContact O-N 3.39Å
324	A	80.6	Confident	79.2	Confident	79 Å²	79	53.5 Å²	53.5	65%	0.653	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	6.1	179.4	0	0	0	0	0	113.6	S320 G322	S320-A324 WeakPolarHBondContact O-CB 3.36Å; S320-A324 PolarHBondContact O-N 2.91Å; G322-A324 VanDerWaalsContact C-N 3.34Å; G322-A324 PolarHBondContact O-N 3.29Å
325	T	71.1	Confident	79.2	Confident	49 Å²	49	53.9 Å²	53.9	30%	0.301	33%	0.332	S	S	.	.	S	Bend	trans	-86.6	124.5	-177.2	60.5	0	0	0	0	110.3	I321 G322 S323 E327	I321-T325 WeakPolarHBondContact O-CG2 3.47Å; G322-T325 WeakPolarHBondContact O-CG2 3.49Å; G322-T325 PolarHBondContact O-N 3.36Å; G322-T325 PolarHBondContact O-OG1 3.13Å; S323-T325 PolarHBondContact O-N 3.39Å; T325-E327 PolarHBondContact O-N 2.85Å
326	P	65.4	Low	79.2	Confident	94 Å²	94	53.8 Å²	53.8	61%	0.61	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-59.7	136	177.5	-22.5	30.1	0	0	0	111.6	G328 S329	P326-G328 PolarHBondContact O-N 2.71Å; P326-G328 VanDerWaalsContact O-N 3.15Å; P326-S329 WeakPolarHBondContact CD-OG 3.45Å; P326-S329 PolarHBondContact O-N 2.85Å; P326-S329 PolarHBondContact O-OG 2.9Å
327	E	51	Low	79.3	Confident	206 Å²	206	48.9 Å²	48.9	96%	0.963	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	119.1	175.7	-67.2	-177.5	173.4	0	0	110.3	T325	T325-E327 PolarHBondContact O-N 2.85Å
328	G	53.9	Low	79.2	Confident	91 Å²	91	50.2 Å²	50.2	94%	0.938	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	-6.9	-179.2	0	0	0	0	0	116.3	P326	P326-G328 PolarHBondContact O-N 2.71Å; P326-G328 VanDerWaalsContact O-N 3.15Å
329	S	63.1	Low	79.1	Confident	60 Å²	60	50.3 Å²	50.3	42%	0.42	32%	0.322	S	S	.	.	S	Bend	trans	-93.1	146.3	171.8	69.9	0	0	0	0	111.8	P326 G331	P326-S329 WeakPolarHBondContact CD-OG 3.45Å; P326-S329 PolarHBondContact O-N 2.85Å; P326-S329 PolarHBondContact O-OG 2.9Å; S329-G331 PolarHBondContact O-N 3.44Å
330	K	64.4	Low	79.2	Confident	164 Å²	164	49.8 Å²	49.8	71%	0.713	32%	0.317	S	S	*	.			trans	-67.6	96.9	169.2	-75.8	-171	-178.7	-176.5	0	108.3	Q270	Q270-K330 PolarHBondContact NE2-O 3.4Å
331	G	79.2	Confident	79.2	Confident	9 Å²	9	47.9 Å²	47.9	9%	0.093	30%	0.302	C	S	.	.			trans	-57.3	159.1	-179.3	0	0	0	0	0	113.2	S329 L333 S334	S329-G331 PolarHBondContact O-N 3.44Å; G331-L333 PolarHBondContact O-N 3.13Å; G331-L333 VanDerWaalsContact O-N 3.1Å; G331-S334 VanDerWaalsContact O-CB 3.31Å; G331-S334 WeakPolarHBondContact O-CB 3.23Å; G331-S334 PolarHBondContact O-N 3.44Å; G331-S334 PolarHBondContact O-OG 3.48Å
332	L	84.9	Confident	79.3	Confident	24 Å²	24	49.4 Å²	49.4	13%	0.126	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-57	-29.1	-178.7	-73.9	174.2	0	0	0	113.1	K263 L266 Q270 I321 S334 T335	K263-L332 HydrophobicContact CG-CD1 3.81Å; L266-L332 HydrophobicContact CB-CB 4.09Å; L266-L332 HydrophobicContact CB-CD2 4.42Å; L266-L332 HydrophobicContact CD1-CB 4.35Å; Q270-L332 HydrophobicContact CB-CD2 4.49Å; Q270-L332 VanDerWaalsContact OE1-CD2 3.23Å; I321-L332 HydrophobicContact CG2-CB 3.89Å; I321-L332 HydrophobicContact CG2-CD1 4.06Å; L332-S334 VanDerWaalsContact C-N 3.26Å; L332-S334 PolarHBondContact O-N 2.95Å; L332-T335 WeakPolarHBondContact O-CB 3.29Å; L332-T335 VanDerWaalsContact O-CG2 3.3Å; L332-T335 WeakPolarHBondContact O-CG2 3.41Å; L332-T335 PolarHBondContact O-N 3.45Å; L332-T335 PolarHBondContact O-OG1 2.64Å
333	L	87.1	Confident	79.5	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-66.7	-25	175.3	-63.6	-177.5	0	0	0	113.4	L266 F318 G322 G331 T335 I336 P337 L370 Q373 L374	L266-L333 HydrophobicContact CD1-CD2 4.11Å; F318-L333 HydrophobicContact CD1-CD2 3.7Å; F318-L333 HydrophobicContact CE1-CD2 4.42Å; G322-L333 VanDerWaalsContact CA-CD1 3.44Å; G331-L333 PolarHBondContact O-N 3.13Å; G331-L333 VanDerWaalsContact O-N 3.1Å; L333-T335 PolarHBondContact O-N 3.27Å; L333-I336 PolarHBondContact O-N 2.86Å; L333-P337 WeakPolarHBondContact O-CD 3.4Å; L333-L370 HydrophobicContact CD1-CD2 3.94Å; L333-Q373 HydrophobicContact CD1-CB 4.21Å; L333-L374 HydrophobicContact CB-CD2 4.36Å
334	S	86.7	Confident	79.7	Confident	12 Å²	12	47.5 Å²	47.5	8%	0.084	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-70.6	-8	177.4	73.5	0	0	0	0	113.7	G331 L332 P337 S338	G331-S334 VanDerWaalsContact O-CB 3.31Å; G331-S334 WeakPolarHBondContact O-CB 3.23Å; G331-S334 PolarHBondContact O-N 3.44Å; G331-S334 PolarHBondContact O-OG 3.48Å; L332-S334 VanDerWaalsContact C-N 3.26Å; L332-S334 PolarHBondContact O-N 2.95Å; S334-P337 WeakPolarHBondContact O-CD 3.37Å; S334-S338 VanDerWaalsContact O-CB 3.3Å; S334-S338 WeakPolarHBondContact O-CB 3.26Å; S334-S338 PolarHBondContact O-N 3.19Å; S334-S338 PolarHBondContact O-OG 3.02Å
335	T	88.7	Confident	79.9	Confident	11 Å²	11	50.8 Å²	50.8	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-71.7	-34	175	62.4	0	0	0	0	112.2	Q270 L332 L333 A339	Q270-T335 HydrophobicContact CB-CG2 3.67Å; Q270-T335 HydrophobicContact CG-CG2 4.13Å; L332-T335 WeakPolarHBondContact O-CB 3.29Å; L332-T335 VanDerWaalsContact O-CG2 3.3Å; L332-T335 WeakPolarHBondContact O-CG2 3.41Å; L332-T335 PolarHBondContact O-N 3.45Å; L332-T335 PolarHBondContact O-OG1 2.64Å; L333-T335 PolarHBondContact O-N 3.27Å; T335-A339 WeakPolarHBondContact O-CB 3.38Å; T335-A339 PolarHBondContact O-N 3.43Å
336	I	89.4	Confident	80.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-51.7	179.2	-56	170.3	0	0	0	110.8	L266 L283 L286 F318 L333 S338 A339 I340 V359 I360 L363	L266-I336 HydrophobicContact CD2-CD1 4.04Å; L266-I336 HydrophobicContact CD2-CG1 3.84Å; L283-I336 HydrophobicContact CD2-CG2 4.17Å; L286-I336 HydrophobicContact CD1-CD1 4.47Å; L286-I336 HydrophobicContact CD1-CG1 4.35Å; F318-I336 HydrophobicContact CE1-CD1 4.37Å; L333-I336 PolarHBondContact O-N 2.86Å; I336-S338 PolarHBondContact O-N 2.91Å; I336-A339 PolarHBondContact O-N 3.07Å; I336-I340 HydrophobicContact CG2-CD1 4.37Å; I336-I340 WeakPolarHBondContact O-CG1 3.14Å; I336-I340 PolarHBondContact O-N 3.04Å; I336-I340 VanDerWaalsContact O-N 3.15Å; I336-V359 HydrophobicContact CD1-CG1 4.21Å; I336-I360 HydrophobicContact CG2-CD1 4.43Å; I336-I360 HydrophobicContact CG2-CG1 4.18Å; I336-L363 HydrophobicContact CD1-CD1 4.14Å
337	P	89.6	Confident	81	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-39.4	179.3	-16.8	32.7	0	0	0	111.4	L333 S334 A339 I340 D341 C377 V379 I382	L333-P337 WeakPolarHBondContact O-CD 3.4Å; S334-P337 WeakPolarHBondContact O-CD 3.37Å; P337-A339 VanDerWaalsContact C-N 3.3Å; P337-A339 PolarHBondContact O-N 3.32Å; P337-I340 PolarHBondContact O-N 3.01Å; P337-D341 PolarHBondContact O-N 3.16Å; P337-C377 HydrophobicContact CG-CB 4.4Å; P337-V379 HydrophobicContact CB-CG2 3.84Å; P337-V379 HydrophobicContact CG-CG2 3.26Å; P337-I382 VanDerWaalsContact C-CD1 3.44Å; P337-I382 HydrophobicContact CB-CD1 3.23Å; P337-I382 WeakPolarHBondContact O-CD1 3.29Å
338	S	88.5	Confident	82.3	Confident	61 Å²	61	48.1 Å²	48.1	43%	0.427	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-39.1	176.2	-58.8	0	0	0	0	112.3	S334 I336 D341 L342	S334-S338 VanDerWaalsContact O-CB 3.3Å; S334-S338 WeakPolarHBondContact O-CB 3.26Å; S334-S338 PolarHBondContact O-N 3.19Å; S334-S338 PolarHBondContact O-OG 3.02Å; I336-S338 PolarHBondContact O-N 2.91Å; S338-D341 PolarHBondContact O-N 2.75Å; S338-L342 PolarHBondContact O-N 3.1Å; S338-L342 VanDerWaalsContact O-N 3.14Å
339	A	88.7	Confident	83.6	Confident	2 Å²	2	44 Å²	44	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-41.7	176.4	0	0	0	0	0	111.8	M269 L279 T335 I336 P337 L342 M343	M269-A339 HydrophobicContact CE-CB 3.72Å; L279-A339 HydrophobicContact CB-CB 4.32Å; L279-A339 HydrophobicContact CD1-CB 4.11Å; L279-A339 HydrophobicContact CD2-CB 4.08Å; L279-A339 HydrophobicContact CG-CB 4.41Å; T335-A339 WeakPolarHBondContact O-CB 3.38Å; T335-A339 PolarHBondContact O-N 3.43Å; I336-A339 PolarHBondContact O-N 3.07Å; P337-A339 VanDerWaalsContact C-N 3.3Å; P337-A339 PolarHBondContact O-N 3.32Å; A339-L342 PolarHBondContact O-N 2.96Å; A339-M343 HydrophobicContact CB-CE 4.16Å; A339-M343 VanDerWaalsContact O-CG 3.26Å; A339-M343 WeakPolarHBondContact O-CG 3.41Å; A339-M343 PolarHBondContact O-N 2.92Å
340	I	88.9	Confident	84.6	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-45.3	175.4	-63.8	168.2	0	0	0	110.6	L283 I336 P337 L342 M343 L344 V353 I360 I382	L283-I340 HydrophobicContact CD1-CG1 4.42Å; I336-I340 HydrophobicContact CG2-CD1 4.37Å; I336-I340 WeakPolarHBondContact O-CG1 3.14Å; I336-I340 PolarHBondContact O-N 3.04Å; I336-I340 VanDerWaalsContact O-N 3.15Å; P337-I340 PolarHBondContact O-N 3.01Å; I340-L342 VanDerWaalsContact C-N 3.27Å; I340-L342 PolarHBondContact O-N 3.42Å; I340-M343 PolarHBondContact O-N 2.81Å; I340-M343 VanDerWaalsContact O-N 3.14Å; I340-L344 HydrophobicContact CG2-CD1 4.18Å; I340-L344 HydrophobicContact CG2-CG 4.29Å; I340-L344 VanDerWaalsContact O-CG 3.3Å; I340-L344 WeakPolarHBondContact O-CG 3.47Å; I340-L344 PolarHBondContact O-N 2.8Å; I340-V353 HydrophobicContact CG2-CG1 4.19Å; I340-I360 HydrophobicContact CD1-CD1 3.42Å; I340-I360 VanDerWaalsContact CD1-CD1 3.42Å; I340-I360 HydrophobicContact CD1-CG1 4.45Å; I340-I382 HydrophobicContact CB-CG2 4.07Å; I340-I382 HydrophobicContact CG2-CG2 3.58Å
341	D	89.6	Confident	85.5	Confident	33 Å²	33	38.3 Å²	38.3	18%	0.176	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-34.2	178.6	-171.1	69	0	0	0	112.7	P337 S338 K345 I382 K385	P337-D341 PolarHBondContact O-N 3.16Å; S338-D341 PolarHBondContact O-N 2.75Å; D341-K345 WeakPolarHBondContact O-CG 3.45Å; D341-K345 WeakPolarHBondContact OD2-CE 3.33Å; D341-K345 IonicContact OD2-NZ 2.7Å; D341-K345 PolarHBondContact OD2-NZ 3.35Å; D341-I382 HydrophobicContact CB-CD1 4.44Å; D341-I382 HydrophobicContact CB-CG1 4.31Å; D341-K385 IonicContact OD1-NZ 2.72Å; D341-K385 PolarHBondContact OD1-NZ 3.1Å
342	L	88.3	Confident	85.8	Confident	50 Å²	50	38.3 Å²	38.3	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-71.8	-41.7	174	-170.7	72.5	0	0	0	112.2	S273 V276 L279 S338 A339 I340 L344 K345 S346	S273-L342 WeakPolarHBondContact O-CD2 3.41Å; V276-L342 HydrophobicContact CG2-CD2 4.17Å; L279-L342 HydrophobicContact CD1-CD2 3.7Å; S338-L342 PolarHBondContact O-N 3.1Å; S338-L342 VanDerWaalsContact O-N 3.14Å; A339-L342 PolarHBondContact O-N 2.96Å; I340-L342 VanDerWaalsContact C-N 3.27Å; I340-L342 PolarHBondContact O-N 3.42Å; L342-L344 VanDerWaalsContact C-N 3.34Å; L342-L344 PolarHBondContact O-N 3.05Å; L342-K345 PolarHBondContact O-N 3.06Å; L342-S346 PolarHBondContact O-N 2.94Å; L342-S346 PolarHBondContact O-OG 3.34Å
343	M	87.8	Confident	85.9	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-35.5	178.7	-70.4	173.7	-160.4	0	0	112.5	L279 Q280 L283 A339 I340 K345 S346 C349 S352 V353	L279-M343 HydrophobicContact CB-CE 3.4Å; L279-M343 WeakPolarHBondContact O-CE 3.45Å; Q280-M343 HydrophobicContact CG-CE 4.45Å; L283-M343 HydrophobicContact CD1-CE 3.33Å; L283-M343 HydrophobicContact CD1-SD 3.48Å; L283-M343 WeakPolarHBondContact CD1-SD 3.44Å; L283-M343 HydrophobicContact CG-CE 3.96Å; A339-M343 HydrophobicContact CB-CE 4.16Å; A339-M343 VanDerWaalsContact O-CG 3.26Å; A339-M343 WeakPolarHBondContact O-CG 3.41Å; A339-M343 PolarHBondContact O-N 2.92Å; I340-M343 PolarHBondContact O-N 2.81Å; I340-M343 VanDerWaalsContact O-N 3.14Å; M343-K345 PolarHBondContact O-N 2.94Å; M343-S346 PolarHBondContact O-N 3.25Å; M343-S346 VanDerWaalsContact O-O 3.11Å; M343-C349 HydrophobicContact CB-CB 3.98Å; M343-C349 HydrophobicContact CG-CB 4.31Å; M343-S352 WeakPolarHBondContact SD-CB 3.37Å; M343-V353 HydrophobicContact CB-CG2 3.69Å
344	L	86.1	Confident	85.9	Confident	46 Å²	46	37.3 Å²	37.3	24%	0.241	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-28	173.7	-71.7	172.9	0	0	0	113	I340 L342 V353 I382 K385 L389	I340-L344 HydrophobicContact CG2-CD1 4.18Å; I340-L344 HydrophobicContact CG2-CG 4.29Å; I340-L344 VanDerWaalsContact O-CG 3.3Å; I340-L344 WeakPolarHBondContact O-CG 3.47Å; I340-L344 PolarHBondContact O-N 2.8Å; L342-L344 VanDerWaalsContact C-N 3.34Å; L342-L344 PolarHBondContact O-N 3.05Å; L344-V353 HydrophobicContact CD2-CG1 3.94Å; L344-V353 HydrophobicContact CD2-CG2 3.92Å; L344-V353 HydrophobicContact CG-CG2 4.21Å; L344-I382 HydrophobicContact CD1-CG2 4.39Å; L344-K385 HydrophobicContact CD1-CB 4.33Å; L344-L389 HydrophobicContact CD2-CD1 3.49Å; L344-L389 VanDerWaalsContact CD2-CD1 3.49Å; L344-L389 HydrophobicContact CD2-CD2 4.03Å; L344-L389 HydrophobicContact CD2-CG 4.32Å
345	K	85.5	Confident	85.9	Confident	149 Å²	149	37 Å²	37	65%	0.648	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.3	177.9	-63.1	170.1	-165.5	161.9	0	112.9	D341 L342 M343	D341-K345 WeakPolarHBondContact O-CG 3.45Å; D341-K345 WeakPolarHBondContact OD2-CE 3.33Å; D341-K345 IonicContact OD2-NZ 2.7Å; D341-K345 PolarHBondContact OD2-NZ 3.35Å; L342-K345 PolarHBondContact O-N 3.06Å; M343-K345 PolarHBondContact O-N 2.94Å
346	S	84.3	Confident	85.9	Confident	35 Å²	35	36.4 Å²	36.4	25%	0.245	20%	0.195	C	C	.	.	S	Bend	trans	-104.4	134.5	-172.6	-57.4	0	0	0	0	110.5	L342 M343	L342-S346 PolarHBondContact O-N 2.94Å; L342-S346 PolarHBondContact O-OG 3.34Å; M343-S346 PolarHBondContact O-N 3.25Å; M343-S346 VanDerWaalsContact O-O 3.11Å
347	K	76	Confident	85.8	Confident	212 Å²	212	36.4 Å²	36.4	92%	0.922	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	141.5	178.8	-63.9	-175.9	179.1	-176.9	0	110.5
348	G	76.6	Confident	85.7	Confident	46 Å²	46	36.4 Å²	36.4	47%	0.474	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	25	175.3	0	0	0	0	0	115.5	E130	E130-G348 WeakPolarHBondContact OE1-CA 3.22Å
349	C	82	Confident	85.6	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.034	17%	0.174	C	C	.	.			trans	-112.6	14.6	-176.5	-65.4	0	0	0	0	113.4	Q280 M343 L351 S352 V353	Q280-C349 PolarHBondContact NE2-SG 2.95Å; M343-C349 HydrophobicContact CB-CB 3.98Å; M343-C349 HydrophobicContact CG-CB 4.31Å; C349-L351 PolarHBondContact O-N 3.04Å; C349-S352 WeakPolarHBondContact O-CB 3.26Å; C349-S352 PolarHBondContact O-N 3.38Å; C349-V353 PolarHBondContact O-N 3.28Å
350	M	84.7	Confident	85.6	Confident	60 Å²	60	33.4 Å²	33.4	30%	0.296	17%	0.174	S	C	.	.	H	α-helix	trans	-64.9	-39.2	-172.2	-70.5	-56.9	-66.3	0	0	112.6	S352 V353 R354 L389 E393	M350-S352 PolarHBondContact O-N 3.4Å; M350-V353 WeakPolarHBondContact O-CB 3.39Å; M350-V353 PolarHBondContact O-N 3.09Å; M350-R354 PolarHBondContact O-N 2.72Å; M350-L389 HydrophobicContact CE-CB 4.21Å; M350-L389 HydrophobicContact CE-CD1 4.19Å; M350-L389 HydrophobicContact CE-CD2 4.09Å; M350-L389 HydrophobicContact CE-CG 4.4Å; M350-E393 HydrophobicContact CE-CG 3.97Å
351	L	82.8	Confident	85.4	Confident	44 Å²	44	33.4 Å²	33.4	23%	0.23	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-35.6	172.6	-71.2	-176.5	0	0	0	112.9	E130 C349 R354 N355	E130-L351 HydrophobicContact CB-CD1 3.53Å; E130-L351 HydrophobicContact CB-CG 4.21Å; E130-L351 WeakPolarHBondContact O-CD1 3.46Å; E130-L351 WeakPolarHBondContact OE2-CG 3.45Å; C349-L351 PolarHBondContact O-N 3.04Å; L351-R354 WeakPolarHBondContact O-CB 3.4Å; L351-R354 PolarHBondContact O-N 3.12Å; L351-N355 VanDerWaalsContact O-CG 3.24Å; L351-N355 PolarHBondContact O-N 3.48Å; L351-N355 PolarHBondContact O-OD1 3.02Å
352	S	85.8	Confident	85.3	Confident	9 Å²	9	32.5 Å²	32.5	6%	0.063	17%	0.168	C	C	.	.	H	α-helix	trans	-74.2	-36.8	179.1	-49.4	0	0	0	0	111.8	Q280 L283 M343 C349 M350 R354 N355 G356	Q280-S352 VanDerWaalsContact CG-OG 3.3Å; Q280-S352 WeakPolarHBondContact CG-OG 3.39Å; L283-S352 WeakPolarHBondContact CD1-O 3.47Å; M343-S352 WeakPolarHBondContact SD-CB 3.37Å; C349-S352 WeakPolarHBondContact O-CB 3.26Å; C349-S352 PolarHBondContact O-N 3.38Å; M350-S352 PolarHBondContact O-N 3.4Å; S352-R354 VanDerWaalsContact C-N 3.33Å; S352-N355 PolarHBondContact O-N 2.99Å; S352-G356 PolarHBondContact O-N 3.31Å
353	V	87.6	Confident	85.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.8	-47.9	169.1	172.2	0	0	0	0	110.2	I340 M343 L344 C349 M350 N355 G356 L357 L389	I340-V353 HydrophobicContact CG2-CG1 4.19Å; M343-V353 HydrophobicContact CB-CG2 3.69Å; L344-V353 HydrophobicContact CD2-CG1 3.94Å; L344-V353 HydrophobicContact CD2-CG2 3.92Å; L344-V353 HydrophobicContact CG-CG2 4.21Å; C349-V353 PolarHBondContact O-N 3.28Å; M350-V353 WeakPolarHBondContact O-CB 3.39Å; M350-V353 PolarHBondContact O-N 3.09Å; V353-N355 PolarHBondContact O-N 3.25Å; V353-G356 PolarHBondContact O-N 3.24Å; V353-G356 VanDerWaalsContact O-N 3.16Å; V353-L357 HydrophobicContact CG1-CD1 4.17Å; V353-L357 HydrophobicContact CG1-CG 4.46Å; V353-L357 WeakPolarHBondContact O-CG 3.41Å; V353-L357 PolarHBondContact O-N 3.21Å; V353-L389 HydrophobicContact CG1-CD1 4.26Å
354	R	85.8	Confident	85	Confident	6 Å²	6	30.2 Å²	30.2	2%	0.023	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-47.1	175.8	-179.4	-174.8	-176.6	126.5	2.6	112.3	D296 M350 L351 S352 G356 L357 L358 E393 L396	D296-R354 IonicContact OD1-CZ 3.12Å; D296-R354 VanDerWaalsContact OD1-CZ 3.23Å; D296-R354 IonicContact OD1-NE 2.7Å; D296-R354 PolarHBondContact OD1-NE 3.31Å; D296-R354 VanDerWaalsContact OD1-NE 3.07Å; D296-R354 IonicContact OD1-NH2 3.23Å; D296-R354 PolarHBondContact OD1-NH2 2.98Å; M350-R354 PolarHBondContact O-N 2.72Å; L351-R354 WeakPolarHBondContact O-CB 3.4Å; L351-R354 PolarHBondContact O-N 3.12Å; S352-R354 VanDerWaalsContact C-N 3.33Å; R354-G356 VanDerWaalsContact C-N 3.27Å; R354-G356 PolarHBondContact O-N 2.98Å; R354-L357 PolarHBondContact O-N 3.26Å; R354-L358 HydrophobicContact CG-CD1 4.31Å; R354-L358 WeakPolarHBondContact O-CG 3.38Å; R354-L358 PolarHBondContact O-N 3.02Å; R354-E393 HydrophobicContact CB-CG 4.42Å; R354-E393 IonicContact NH1-OE1 2.9Å; R354-L396 HydrophobicContact CG-CD1 3.77Å
355	N	87.8	Confident	84.6	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-41.6	176.3	-71	-14.5	0	0	0	111.4	L283 K287 L351 S352 V353 L358 V359	L283-N355 HydrophobicContact CB-CB 4.35Å; K287-N355 HydrophobicContact CB-CB 4.5Å; K287-N355 HydrophobicContact CD-CB 4.21Å; K287-N355 WeakPolarHBondContact CD-OD1 3.34Å; K287-N355 PolarHBondContact NZ-OD1 2.94Å; K287-N355 VanDerWaalsContact NZ-OD1 3.16Å; L351-N355 VanDerWaalsContact O-CG 3.24Å; L351-N355 PolarHBondContact O-N 3.48Å; L351-N355 PolarHBondContact O-OD1 3.02Å; S352-N355 PolarHBondContact O-N 2.99Å; V353-N355 PolarHBondContact O-N 3.25Å; N355-L358 PolarHBondContact O-N 3.38Å; N355-V359 WeakPolarHBondContact O-CG2 3.35Å; N355-V359 PolarHBondContact O-N 2.54Å; N355-V359 VanDerWaalsContact O-N 3.15Å
356	G	88.4	Confident	83.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-45	174.4	0	0	0	0	0	113.4	S352 V353 R354 L358 V359 I360	S352-G356 PolarHBondContact O-N 3.31Å; V353-G356 PolarHBondContact O-N 3.24Å; V353-G356 VanDerWaalsContact O-N 3.16Å; R354-G356 VanDerWaalsContact C-N 3.27Å; R354-G356 PolarHBondContact O-N 2.98Å; G356-L358 PolarHBondContact O-N 2.85Å; G356-V359 PolarHBondContact O-N 3.01Å; G356-I360 WeakPolarHBondContact O-CG1 3.36Å; G356-I360 PolarHBondContact O-N 3.12Å
357	L	87.3	Confident	83.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-41.8	177.4	-68.8	174.1	0	0	0	112.1	V353 R354 V359 I360 I361 L383 E393 L396	V353-L357 HydrophobicContact CG1-CD1 4.17Å; V353-L357 HydrophobicContact CG1-CG 4.46Å; V353-L357 WeakPolarHBondContact O-CG 3.41Å; V353-L357 PolarHBondContact O-N 3.21Å; R354-L357 PolarHBondContact O-N 3.26Å; L357-V359 PolarHBondContact O-N 3.42Å; L357-I360 WeakPolarHBondContact O-CB 3.45Å; L357-I360 PolarHBondContact O-N 3.03Å; L357-I361 WeakPolarHBondContact O-CG1 3.4Å; L357-I361 PolarHBondContact O-N 3.35Å; L357-L383 HydrophobicContact CD2-CD2 3.41Å; L357-L383 VanDerWaalsContact CD2-CD2 3.41Å; L357-E393 HydrophobicContact CD1-CB 4.21Å; L357-L396 HydrophobicContact CB-CB 4Å; L357-L396 HydrophobicContact CB-CD1 4.28Å; L357-L396 HydrophobicContact CD1-CB 4.08Å
358	L	86.5	Confident	83.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-42.9	176.2	-69.2	169.1	0	0	0	112	K287 A292 H295 D296 R354 N355 G356 I360 I361 M362 L396	K287-L358 HydrophobicContact CD-CD1 4.27Å; A292-L358 HydrophobicContact CB-CB 4.07Å; H295-L358 VanDerWaalsContact C-CD2 3.44Å; H295-L358 HydrophobicContact CB-CD2 3.64Å; H295-L358 VanDerWaalsContact O-CD2 3.31Å; H295-L358 WeakPolarHBondContact O-CD2 3.16Å; D296-L358 HydrophobicContact CB-CD1 3.81Å; D296-L358 HydrophobicContact CB-CD2 4.33Å; R354-L358 HydrophobicContact CG-CD1 4.31Å; R354-L358 WeakPolarHBondContact O-CG 3.38Å; R354-L358 PolarHBondContact O-N 3.02Å; N355-L358 PolarHBondContact O-N 3.38Å; G356-L358 PolarHBondContact O-N 2.85Å; L358-I360 VanDerWaalsContact C-N 3.33Å; L358-I361 PolarHBondContact O-N 3.4Å; L358-M362 WeakPolarHBondContact O-CB 3.48Å; L358-M362 PolarHBondContact O-N 3.23Å; L358-L396 HydrophobicContact CD2-CD1 4.06Å; L358-L396 HydrophobicContact CD2-CD2 3.77Å; L358-L396 HydrophobicContact CG-CD1 4.13Å
359	V	87.9	Confident	84	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-42.9	175.1	172.4	0	0	0	0	110.5	L286 K287 A292 I336 N355 G356 L357 M362 L363	L286-V359 HydrophobicContact CB-CG2 4.16Å; K287-V359 HydrophobicContact CB-CG2 4.2Å; A292-V359 HydrophobicContact CB-CG2 4.39Å; I336-V359 HydrophobicContact CD1-CG1 4.21Å; N355-V359 WeakPolarHBondContact O-CG2 3.35Å; N355-V359 PolarHBondContact O-N 2.54Å; N355-V359 VanDerWaalsContact O-N 3.15Å; G356-V359 PolarHBondContact O-N 3.01Å; L357-V359 PolarHBondContact O-N 3.42Å; V359-M362 PolarHBondContact O-N 2.99Å; V359-L363 HydrophobicContact CG1-CD1 3.95Å; V359-L363 HydrophobicContact CG1-CG 4.38Å; V359-L363 VanDerWaalsContact O-CG 3.27Å; V359-L363 WeakPolarHBondContact O-CG 3.45Å; V359-L363 PolarHBondContact O-N 3.07Å
360	I	88.4	Confident	84.1	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-47.8	176.6	-71.5	173	0	0	0	111.1	I336 I340 G356 L357 L358 M362 L363 I364 V379 A400	I336-I360 HydrophobicContact CG2-CD1 4.43Å; I336-I360 HydrophobicContact CG2-CG1 4.18Å; I340-I360 HydrophobicContact CD1-CD1 3.42Å; I340-I360 VanDerWaalsContact CD1-CD1 3.42Å; I340-I360 HydrophobicContact CD1-CG1 4.45Å; G356-I360 WeakPolarHBondContact O-CG1 3.36Å; G356-I360 PolarHBondContact O-N 3.12Å; L357-I360 WeakPolarHBondContact O-CB 3.45Å; L357-I360 PolarHBondContact O-N 3.03Å; L358-I360 VanDerWaalsContact C-N 3.33Å; I360-M362 VanDerWaalsContact C-N 3.32Å; I360-M362 PolarHBondContact O-N 3.08Å; I360-L363 PolarHBondContact O-N 3.43Å; I360-I364 HydrophobicContact CG2-CD1 3.49Å; I360-I364 VanDerWaalsContact CG2-CD1 3.49Å; I360-I364 HydrophobicContact CG2-CG1 4.31Å; I360-I364 WeakPolarHBondContact O-CB 3.35Å; I360-I364 VanDerWaalsContact O-CG1 3.25Å; I360-I364 WeakPolarHBondContact O-CG1 3.43Å; I360-I364 PolarHBondContact O-N 3.11Å; I360-V379 HydrophobicContact CD1-CG1 4.24Å; I360-V379 HydrophobicContact CD1-CG2 4.47Å; I360-V379 HydrophobicContact CG2-CG1 4.05Å; I360-A400 HydrophobicContact CG2-CB 4.22Å
361	I	85.1	Confident	84	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.3	-48.4	178	-68.4	165	0	0	0	110.2	L357 L358 L363 I364 A365 L396 I399 A400	L357-I361 WeakPolarHBondContact O-CG1 3.4Å; L357-I361 PolarHBondContact O-N 3.35Å; L358-I361 PolarHBondContact O-N 3.4Å; I361-L363 VanDerWaalsContact C-N 3.35Å; I361-L363 PolarHBondContact O-N 3.43Å; I361-I364 PolarHBondContact O-N 2.86Å; I361-A365 WeakPolarHBondContact O-CB 3.29Å; I361-A365 PolarHBondContact O-N 3Å; I361-L396 HydrophobicContact CD1-CB 3.91Å; I361-L396 HydrophobicContact CD1-CD2 3.58Å; I361-L396 HydrophobicContact CD1-CG 4.32Å; I361-L396 WeakPolarHBondContact CD1-O 3.39Å; I361-I399 HydrophobicContact CD1-CB 4.33Å; I361-I399 HydrophobicContact CD1-CG2 4.17Å; I361-I399 HydrophobicContact CG1-CG2 4.31Å; I361-I399 HydrophobicContact CG2-CG2 4.15Å; I361-A400 HydrophobicContact CG1-CB 3.85Å
362	M	86.6	Confident	84	Confident	13 Å²	13	21.3 Å²	21.3	6%	0.064	12%	0.119	C	C	.	.	H	α-helix	trans	-57.9	-45.7	178.9	172.6	43.7	-128.1	0	0	111.8	A292 T311 L315 L358 V359 I360 I364	A292-M362 HydrophobicContact CB-CB 3.95Å; A292-M362 HydrophobicContact CB-CG 4.41Å; T311-M362 HydrophobicContact CG2-CE 3.54Å; T311-M362 HydrophobicContact CG2-SD 4.08Å; L315-M362 HydrophobicContact CD1-CE 3.84Å; L315-M362 HydrophobicContact CD2-CE 3.37Å; L315-M362 HydrophobicContact CG-CE 3.55Å; L358-M362 WeakPolarHBondContact O-CB 3.48Å; L358-M362 PolarHBondContact O-N 3.23Å; V359-M362 PolarHBondContact O-N 2.99Å; I360-M362 VanDerWaalsContact C-N 3.32Å; I360-M362 PolarHBondContact O-N 3.08Å; M362-I364 VanDerWaalsContact C-N 3.35Å; M362-I364 PolarHBondContact O-N 2.88Å
363	L	85.6	Confident	83.9	Confident	2 Å²	2	23 Å²	23	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-33.2	-179.5	-67.3	175	0	0	0	113.5	L315 F318 I336 V359 I360 I361 L370 L374	L315-L363 HydrophobicContact CD2-CD2 4.32Å; F318-L363 HydrophobicContact CB-CD2 3.88Å; F318-L363 HydrophobicContact CD1-CD1 4.01Å; F318-L363 HydrophobicContact CD1-CD2 3.79Å; F318-L363 HydrophobicContact CD2-CD2 3.74Å; F318-L363 HydrophobicContact CE1-CD1 4.11Å; F318-L363 HydrophobicContact CE1-CD2 4.21Å; F318-L363 HydrophobicContact CE2-CD2 4.17Å; F318-L363 HydrophobicContact CG-CD2 3.53Å; F318-L363 HydrophobicContact CZ-CD2 4.39Å; I336-L363 HydrophobicContact CD1-CD1 4.14Å; V359-L363 HydrophobicContact CG1-CD1 3.95Å; V359-L363 HydrophobicContact CG1-CG 4.38Å; V359-L363 VanDerWaalsContact O-CG 3.27Å; V359-L363 WeakPolarHBondContact O-CG 3.45Å; V359-L363 PolarHBondContact O-N 3.07Å; I360-L363 PolarHBondContact O-N 3.43Å; I361-L363 VanDerWaalsContact C-N 3.35Å; I361-L363 PolarHBondContact O-N 3.43Å; L363-L370 HydrophobicContact CD2-CD1 4.3Å; L363-L374 HydrophobicContact CB-CD1 3.87Å; L363-L374 HydrophobicContact CD1-CD1 4.15Å
364	I	84.4	Confident	83.8	Confident	2 Å²	2	23 Å²	23	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-90.3	-37.8	-173.8	-61.8	178.9	0	0	0	111.8	I360 I361 M362 S366 A371 L374 H403 I404	I360-I364 HydrophobicContact CG2-CD1 3.49Å; I360-I364 VanDerWaalsContact CG2-CD1 3.49Å; I360-I364 HydrophobicContact CG2-CG1 4.31Å; I360-I364 WeakPolarHBondContact O-CB 3.35Å; I360-I364 VanDerWaalsContact O-CG1 3.25Å; I360-I364 WeakPolarHBondContact O-CG1 3.43Å; I360-I364 PolarHBondContact O-N 3.11Å; I361-I364 PolarHBondContact O-N 2.86Å; M362-I364 VanDerWaalsContact C-N 3.35Å; M362-I364 PolarHBondContact O-N 2.88Å; I364-S366 PolarHBondContact O-N 3.31Å; I364-A371 HydrophobicContact CB-CB 4.42Å; I364-A371 HydrophobicContact CG1-CB 4.41Å; I364-A371 HydrophobicContact CG2-CB 3.72Å; I364-L374 HydrophobicContact CD1-CD1 4.07Å; I364-L374 HydrophobicContact CG1-CD1 3.7Å; I364-H403 HydrophobicContact CB-CB 4.48Å; I364-H403 HydrophobicContact CG2-CB 3.63Å; I364-I404 HydrophobicContact CD1-CD1 3.78Å; I364-I404 HydrophobicContact CD1-CG1 3.66Å; I364-I404 HydrophobicContact CG2-CG1 3.91Å
365	A	76.5	Confident	83.6	Confident	35 Å²	35	24.5 Å²	24.5	29%	0.289	14%	0.135	S	C	.	.	H	α-helix	trans	-59.2	-27.7	-169.8	0	0	0	0	0	114.2	I361	I361-A365 WeakPolarHBondContact O-CB 3.29Å; I361-A365 PolarHBondContact O-N 3Å
366	S	69.3	Low	83.3	Confident	79 Å²	79	28.7 Å²	28.7	55%	0.552	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-4.6	-170.9	-55.7	0	0	0	0	114.9	I364	I364-S366 PolarHBondContact O-N 3.31Å
367	H	77.6	Confident	83	Confident	38 Å²	38	30.5 Å²	30.5	18%	0.176	18%	0.183	C	C	.	.			trans	-142.5	105.8	-171	-158.6	-92.3	0	0	0	113.6	L315 S369 L370 A371	L315-H367 HydrophobicContact CD1-CB 4.38Å; L315-H367 HydrophobicContact CD2-CB 4.11Å; H367-S369 PolarHBondContact CE1-OG 3.16Å; H367-S369 PolarHBondContact ND1-OG 3.46Å; H367-S369 VanDerWaalsContact ND1-OG 3.13Å; H367-S369 PolarHBondContact O-N 2.87Å; H367-L370 HydrophobicContact CB-CB 4.13Å; H367-L370 HydrophobicContact CB-CD1 3.97Å; H367-L370 HydrophobicContact CB-CG 4.46Å; H367-L370 PolarHBondContact ND1-N 2.87Å; H367-L370 PolarHBondContact O-N 3.14Å; H367-A371 PolarHBondContact O-N 3.38Å
368	K	82.3	Confident	82.7	Confident	129 Å²	129	31.9 Å²	31.9	56%	0.561	20%	0.197	S	C	*	.	H	α-helix	trans	-57.1	-48.8	-174.9	169	159.5	-175.5	178.4	0	114	L370 A371 E372 V407	K368-L370 VanDerWaalsContact C-N 3.25Å; K368-L370 PolarHBondContact O-N 3.29Å; K368-A371 WeakPolarHBondContact O-CB 3.42Å; K368-A371 PolarHBondContact O-N 2.96Å; K368-E372 WeakPolarHBondContact CE-OE1 3.5Å; K368-E372 IonicContact NZ-OE1 2.69Å; K368-E372 PolarHBondContact O-N 3.04Å; K368-E372 VanDerWaalsContact O-N 3.13Å; K368-V407 HydrophobicContact CB-CG1 4.2Å; K368-V407 HydrophobicContact CD-CG1 4.14Å; K368-V407 HydrophobicContact CG-CG1 3.66Å
369	S	81.7	Confident	82.6	Confident	47 Å²	47	31.9 Å²	31.9	33%	0.329	20%	0.197	S	C	.	.	H	α-helix	trans	-68.9	-25.9	-176.8	64.1	0	0	0	0	113	H367 Q373	H367-S369 PolarHBondContact CE1-OG 3.16Å; H367-S369 PolarHBondContact ND1-OG 3.46Å; H367-S369 VanDerWaalsContact ND1-OG 3.13Å; H367-S369 PolarHBondContact O-N 2.87Å; S369-Q373 WeakPolarHBondContact O-CB 3.48Å; S369-Q373 WeakPolarHBondContact O-CG 2.87Å; S369-Q373 PolarHBondContact O-N 3.43Å
370	L	83.9	Confident	82.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.8	-38.1	174.5	-89.4	170.3	0	0	0	111.4	L315 F318 A319 L333 L363 H367 K368 E372 Q373 L374	L315-L370 HydrophobicContact CB-CD1 4.37Å; L315-L370 HydrophobicContact CD2-CD1 3.86Å; L315-L370 WeakPolarHBondContact O-CD1 3.47Å; F318-L370 HydrophobicContact CB-CD1 3.97Å; F318-L370 HydrophobicContact CB-CD2 3.89Å; A319-L370 HydrophobicContact CB-CD1 4.23Å; A319-L370 HydrophobicContact CB-CD2 4.34Å; A319-L370 HydrophobicContact CB-CG 3.93Å; L333-L370 HydrophobicContact CD1-CD2 3.94Å; L363-L370 HydrophobicContact CD2-CD1 4.3Å; H367-L370 HydrophobicContact CB-CB 4.13Å; H367-L370 HydrophobicContact CB-CD1 3.97Å; H367-L370 HydrophobicContact CB-CG 4.46Å; H367-L370 PolarHBondContact ND1-N 2.87Å; H367-L370 PolarHBondContact O-N 3.14Å; K368-L370 VanDerWaalsContact C-N 3.25Å; K368-L370 PolarHBondContact O-N 3.29Å; L370-E372 VanDerWaalsContact C-N 3.35Å; L370-Q373 PolarHBondContact O-N 3.37Å; L370-L374 WeakPolarHBondContact O-CB 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.06Å; L370-L374 PolarHBondContact O-N 2.9Å
371	A	83.1	Confident	82	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-48.3	172	0	0	0	0	0	111	I364 H367 K368 Q373 L374 V375 V407	I364-A371 HydrophobicContact CB-CB 4.42Å; I364-A371 HydrophobicContact CG1-CB 4.41Å; I364-A371 HydrophobicContact CG2-CB 3.72Å; H367-A371 PolarHBondContact O-N 3.38Å; K368-A371 WeakPolarHBondContact O-CB 3.42Å; K368-A371 PolarHBondContact O-N 2.96Å; A371-Q373 PolarHBondContact O-N 3.02Å; A371-L374 PolarHBondContact O-N 3.48Å; A371-V375 WeakPolarHBondContact O-CB 3.25Å; A371-V375 VanDerWaalsContact O-CG2 3.26Å; A371-V375 WeakPolarHBondContact O-CG2 3.29Å; A371-V375 PolarHBondContact O-N 3.5Å; A371-V407 HydrophobicContact CB-CB 4.23Å; A371-V407 HydrophobicContact CB-CG1 3.98Å; A371-V407 HydrophobicContact CB-CG2 4.07Å
372	E	82.4	Confident	81.9	Confident	83 Å²	83	37.5 Å²	37.5	39%	0.388	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-44.8	177.3	-69	170.1	-177.1	0	0	112.1	K368 L370 L374 V375 A376	K368-E372 WeakPolarHBondContact CE-OE1 3.5Å; K368-E372 IonicContact NZ-OE1 2.69Å; K368-E372 PolarHBondContact O-N 3.04Å; K368-E372 VanDerWaalsContact O-N 3.13Å; L370-E372 VanDerWaalsContact C-N 3.35Å; E372-L374 PolarHBondContact O-N 3.39Å; E372-V375 PolarHBondContact O-N 3.45Å; E372-A376 PolarHBondContact O-N 3.18Å
373	Q	83.8	Confident	81.7	Confident	43 Å²	43	37 Å²	37	20%	0.201	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-41	176.9	-74.1	171.2	-2.6	0	0	112.5	A319 L333 S369 L370 A371 A376 C377	A319-Q373 PolarHBondContact O-NE2 3.45Å; L333-Q373 HydrophobicContact CD1-CB 4.21Å; S369-Q373 WeakPolarHBondContact O-CB 3.48Å; S369-Q373 WeakPolarHBondContact O-CG 2.87Å; S369-Q373 PolarHBondContact O-N 3.43Å; L370-Q373 PolarHBondContact O-N 3.37Å; A371-Q373 PolarHBondContact O-N 3.02Å; Q373-A376 PolarHBondContact O-N 3.09Å; Q373-C377 PolarHBondContact O-N 3.1Å; Q373-C377 VanDerWaalsContact O-N 3.11Å; Q373-C377 PolarHBondContact O-SG 3.07Å
374	L	84.3	Confident	81.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71.3	-34.7	178	-78.5	174.1	0	0	0	112.3	L333 L363 I364 L370 A371 E372 C377 G378 V379	L333-L374 HydrophobicContact CB-CD2 4.36Å; L363-L374 HydrophobicContact CB-CD1 3.87Å; L363-L374 HydrophobicContact CD1-CD1 4.15Å; I364-L374 HydrophobicContact CD1-CD1 4.07Å; I364-L374 HydrophobicContact CG1-CD1 3.7Å; L370-L374 WeakPolarHBondContact O-CB 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.06Å; L370-L374 PolarHBondContact O-N 2.9Å; A371-L374 PolarHBondContact O-N 3.48Å; E372-L374 PolarHBondContact O-N 3.39Å; L374-C377 CarbonylContact O-C 3.59Å; L374-C377 WeakPolarHBondContact O-CA 3.49Å; L374-C377 WeakPolarHBondContact O-CB 3.26Å; L374-C377 PolarHBondContact O-N 3.33Å; L374-C377 VanDerWaalsContact O-N 3.14Å; L374-G378 PolarHBondContact O-N 3.18Å; L374-V379 HydrophobicContact CB-CG2 3.97Å; L374-V379 HydrophobicContact CD2-CG2 4.12Å; L374-V379 WeakPolarHBondContact O-CB 3.31Å; L374-V379 VanDerWaalsContact O-CG2 3.23Å; L374-V379 WeakPolarHBondContact O-CG2 3.46Å; L374-V379 PolarHBondContact O-N 3Å
375	V	83.3	Confident	81.3	Confident	38 Å²	38	46.4 Å²	46.4	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-43.9	172	170.5	0	0	0	0	110.6	A371 E372 C377 G378 T380 I404	A371-V375 WeakPolarHBondContact O-CB 3.25Å; A371-V375 VanDerWaalsContact O-CG2 3.26Å; A371-V375 WeakPolarHBondContact O-CG2 3.29Å; A371-V375 PolarHBondContact O-N 3.5Å; E372-V375 PolarHBondContact O-N 3.45Å; V375-C377 PolarHBondContact O-N 2.88Å; V375-G378 PolarHBondContact O-N 3.23Å; V375-T380 HydrophobicContact CG1-CG2 4.43Å; V375-T380 HydrophobicContact CG2-CG2 4.18Å; V375-I404 HydrophobicContact CG2-CD1 4.26Å; V375-I404 HydrophobicContact CG2-CG1 4.27Å; V375-I404 HydrophobicContact CG2-CG2 3.52Å
376	A	81.1	Confident	81.5	Confident	92 Å²	92	44.7 Å²	44.7	76%	0.76	26%	0.261	S	S	*	.	H	α-helix	trans	-60.7	-27.2	173	0	0	0	0	0	112.8	E372 Q373 G378	E372-A376 PolarHBondContact O-N 3.18Å; Q373-A376 PolarHBondContact O-N 3.09Å; A376-G378 VanDerWaalsContact C-N 3.26Å; A376-G378 PolarHBondContact O-N 3.43Å
377	C	82.3	Confident	81.8	Confident	38 Å²	38	42.9 Å²	42.9	26%	0.257	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	1.2	173.5	-66.1	0	0	0	0	114.4	P337 Q373 L374 V375	P337-C377 HydrophobicContact CG-CB 4.4Å; Q373-C377 PolarHBondContact O-N 3.1Å; Q373-C377 VanDerWaalsContact O-N 3.11Å; Q373-C377 PolarHBondContact O-SG 3.07Å; L374-C377 CarbonylContact O-C 3.59Å; L374-C377 WeakPolarHBondContact O-CA 3.49Å; L374-C377 WeakPolarHBondContact O-CB 3.26Å; L374-C377 PolarHBondContact O-N 3.33Å; L374-C377 VanDerWaalsContact O-N 3.14Å; V375-C377 PolarHBondContact O-N 2.88Å
378	G	79.5	Confident	81.7	Confident	30 Å²	30	47.1 Å²	47.1	31%	0.309	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	21	176.4	0	0	0	0	0	115.3	L374 V375 A376 T380 A381	L374-G378 PolarHBondContact O-N 3.18Å; V375-G378 PolarHBondContact O-N 3.23Å; A376-G378 VanDerWaalsContact C-N 3.26Å; A376-G378 PolarHBondContact O-N 3.43Å; G378-T380 VanDerWaalsContact C-N 3.29Å; G378-T380 PolarHBondContact O-N 3.47Å; G378-A381 PolarHBondContact O-N 3.47Å
379	V	84.8	Confident	81.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-38.9	179.5	166.1	0	0	0	0	112.9	P337 I360 L374 A381 I382 L383 I404	P337-V379 HydrophobicContact CB-CG2 3.84Å; P337-V379 HydrophobicContact CG-CG2 3.26Å; I360-V379 HydrophobicContact CD1-CG1 4.24Å; I360-V379 HydrophobicContact CD1-CG2 4.47Å; I360-V379 HydrophobicContact CG2-CG1 4.05Å; L374-V379 HydrophobicContact CB-CG2 3.97Å; L374-V379 HydrophobicContact CD2-CG2 4.12Å; L374-V379 WeakPolarHBondContact O-CB 3.31Å; L374-V379 VanDerWaalsContact O-CG2 3.23Å; L374-V379 WeakPolarHBondContact O-CG2 3.46Å; L374-V379 PolarHBondContact O-N 3Å; V379-A381 VanDerWaalsContact C-N 3.32Å; V379-A381 PolarHBondContact O-N 2.83Å; V379-I382 PolarHBondContact O-N 3.15Å; V379-L383 HydrophobicContact CG1-CD1 3.53Å; V379-L383 HydrophobicContact CG1-CD2 4.49Å; V379-L383 HydrophobicContact CG1-CG 3.76Å; V379-L383 WeakPolarHBondContact O-CG 3.25Å; V379-L383 PolarHBondContact O-N 3.25Å; V379-I404 HydrophobicContact CG1-CD1 4.12Å
380	T	81.5	Confident	81.1	Confident	47 Å²	47	44 Å²	44	29%	0.288	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-40.1	-176.8	52.2	0	0	0	0	112.9	V375 G378 I382 L383 K384 I404	V375-T380 HydrophobicContact CG1-CG2 4.43Å; V375-T380 HydrophobicContact CG2-CG2 4.18Å; G378-T380 VanDerWaalsContact C-N 3.29Å; G378-T380 PolarHBondContact O-N 3.47Å; T380-I382 VanDerWaalsContact C-N 3.29Å; T380-I382 PolarHBondContact O-N 3.49Å; T380-L383 PolarHBondContact O-N 2.88Å; T380-K384 WeakPolarHBondContact O-CG 3.46Å; T380-K384 PolarHBondContact O-N 3.09Å; T380-I404 HydrophobicContact CG2-CD1 4.16Å; T380-I404 HydrophobicContact CG2-CG2 4.17Å
381	A	81.8	Confident	80.4	Confident	55 Å²	55	48.8 Å²	48.8	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-33.9	177.5	0	0	0	0	0	112.3	G378 V379 K385	G378-A381 PolarHBondContact O-N 3.47Å; V379-A381 VanDerWaalsContact C-N 3.32Å; V379-A381 PolarHBondContact O-N 2.83Å; A381-K385 WeakPolarHBondContact O-CG 3.36Å; A381-K385 PolarHBondContact O-N 3.49Å
382	I	83.1	Confident	79.8	Confident	17 Å²	17	49.5 Å²	49.5	9%	0.087	29%	0.287	C	S	.	.	H	α-helix	trans	-77	-42.9	178.6	-66.6	155	0	0	0	110.5	P337 I340 D341 L344 V379 T380 K384 K385 C386	P337-I382 VanDerWaalsContact C-CD1 3.44Å; P337-I382 HydrophobicContact CB-CD1 3.23Å; P337-I382 WeakPolarHBondContact O-CD1 3.29Å; I340-I382 HydrophobicContact CB-CG2 4.07Å; I340-I382 HydrophobicContact CG2-CG2 3.58Å; D341-I382 HydrophobicContact CB-CD1 4.44Å; D341-I382 HydrophobicContact CB-CG1 4.31Å; L344-I382 HydrophobicContact CD1-CG2 4.39Å; V379-I382 PolarHBondContact O-N 3.15Å; T380-I382 VanDerWaalsContact C-N 3.29Å; T380-I382 PolarHBondContact O-N 3.49Å; I382-K384 VanDerWaalsContact C-N 3.27Å; I382-K384 PolarHBondContact O-N 3.44Å; I382-K385 WeakPolarHBondContact O-CB 3.45Å; I382-K385 PolarHBondContact O-N 3.2Å; I382-C386 PolarHBondContact O-N 3Å; I382-C386 PolarHBondContact O-SG 2.83Å; I382-C386 VanDerWaalsContact O-SG 3.34Å
383	L	82.8	Confident	79.5	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-39.5	175.3	-66.3	176.9	0	0	0	111.7	L357 V379 T380 K385 C386 L387 A397 A400 L401 I404	L357-L383 HydrophobicContact CD2-CD2 3.41Å; L357-L383 VanDerWaalsContact CD2-CD2 3.41Å; V379-L383 HydrophobicContact CG1-CD1 3.53Å; V379-L383 HydrophobicContact CG1-CD2 4.49Å; V379-L383 HydrophobicContact CG1-CG 3.76Å; V379-L383 WeakPolarHBondContact O-CG 3.25Å; V379-L383 PolarHBondContact O-N 3.25Å; T380-L383 PolarHBondContact O-N 2.88Å; L383-K385 PolarHBondContact O-N 3.03Å; L383-C386 WeakPolarHBondContact O-CB 3.48Å; L383-C386 PolarHBondContact O-N 3.13Å; L383-L387 PolarHBondContact O-N 3.13Å; L383-A397 HydrophobicContact CD2-CB 4.32Å; L383-A400 HydrophobicContact CD1-CB 3.69Å; L383-A400 HydrophobicContact CD2-CB 3.92Å; L383-A400 HydrophobicContact CG-CB 4.48Å; L383-L401 HydrophobicContact CB-CD1 3.93Å; L383-L401 HydrophobicContact CB-CD2 3.8Å; L383-L401 HydrophobicContact CB-CG 3.71Å; L383-L401 HydrophobicContact CD1-CD2 3.84Å; L383-L401 HydrophobicContact CD1-CG 3.84Å; L383-L401 HydrophobicContact CG-CD2 4.48Å; L383-L401 HydrophobicContact CG-CG 4.41Å; L383-I404 HydrophobicContact CD1-CD1 3.65Å
384	K	79.4	Confident	79.1	Confident	95 Å²	95	44.2 Å²	44.2	41%	0.413	26%	0.263	S	S	.	.	H	α-helix	trans	-60.6	-40.7	172.9	-75.6	-174.9	176.3	-165.2	0	112.8	T380 I382 C386 L387	T380-K384 WeakPolarHBondContact O-CG 3.46Å; T380-K384 PolarHBondContact O-N 3.09Å; I382-K384 VanDerWaalsContact C-N 3.27Å; I382-K384 PolarHBondContact O-N 3.44Å; K384-C386 PolarHBondContact O-N 3Å; K384-L387 WeakPolarHBondContact O-CB 3.28Å; K384-L387 WeakPolarHBondContact O-CG 3.27Å; K384-L387 PolarHBondContact O-N 3.12Å
385	K	82.4	Confident	78.5	Confident	107 Å²	107	44.7 Å²	44.7	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-30.4	173.2	-70.4	170.2	174.5	172.3	0	112.3	D341 L344 A381 I382 L383 L387 T388	D341-K385 IonicContact OD1-NZ 2.72Å; D341-K385 PolarHBondContact OD1-NZ 3.1Å; L344-K385 HydrophobicContact CD1-CB 4.33Å; A381-K385 WeakPolarHBondContact O-CG 3.36Å; A381-K385 PolarHBondContact O-N 3.49Å; I382-K385 WeakPolarHBondContact O-CB 3.45Å; I382-K385 PolarHBondContact O-N 3.2Å; L383-K385 PolarHBondContact O-N 3.03Å; K385-L387 PolarHBondContact O-N 3Å; K385-T388 PolarHBondContact O-OG1 3.13Å
386	C	80.6	Confident	78.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-73.2	-10.9	178	-65.5	0	0	0	0	114	I382 L383 K384 T388 L389 T394 A397	I382-C386 PolarHBondContact O-N 3Å; I382-C386 PolarHBondContact O-SG 2.83Å; I382-C386 VanDerWaalsContact O-SG 3.34Å; L383-C386 WeakPolarHBondContact O-CB 3.48Å; L383-C386 PolarHBondContact O-N 3.13Å; K384-C386 PolarHBondContact O-N 3Å; C386-T388 VanDerWaalsContact C-N 3.29Å; C386-T388 PolarHBondContact O-N 3.21Å; C386-L389 HydrophobicContact CB-CD1 3.78Å; C386-L389 WeakPolarHBondContact O-CB 3.47Å; C386-L389 WeakPolarHBondContact O-CG 3.28Å; C386-L389 PolarHBondContact O-N 3.47Å; C386-T394 PolarHBondContact O-OG1 3.18Å; C386-A397 HydrophobicContact CB-CB 3.71Å
387	L	77.2	Confident	78.2	Confident	41 Å²	41	38.7 Å²	38.7	22%	0.215	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-68.8	-28	179.9	-62.3	173.8	0	0	0	112.9	L383 K384 K385 L389 T394 A397 I398 L401 F421	L383-L387 PolarHBondContact O-N 3.13Å; K384-L387 WeakPolarHBondContact O-CB 3.28Å; K384-L387 WeakPolarHBondContact O-CG 3.27Å; K384-L387 PolarHBondContact O-N 3.12Å; K385-L387 PolarHBondContact O-N 3Å; L387-L389 PolarHBondContact O-N 2.89Å; L387-T394 HydrophobicContact CD2-CG2 4.31Å; L387-T394 WeakPolarHBondContact O-CG2 3.39Å; L387-T394 PolarHBondContact O-OG1 3.34Å; L387-A397 HydrophobicContact CD2-CB 4.26Å; L387-I398 HydrophobicContact CD2-CD1 4.48Å; L387-I398 HydrophobicContact CD2-CG1 3.7Å; L387-L401 HydrophobicContact CD1-CD1 4.41Å; L387-L401 HydrophobicContact CD2-CD1 4.34Å; L387-F421 HydrophobicContact CD1-CD2 3.61Å; L387-F421 HydrophobicContact CD1-CE2 3.87Å; L387-F421 HydrophobicContact CD2-CE2 4.02Å
388	T	75.6	Confident	77.7	Confident	126 Å²	126	37 Å²	37	77%	0.773	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-83.1	7.9	179.6	64.4	0	0	0	0	113.6	K385 C386	K385-T388 PolarHBondContact O-OG1 3.13Å; C386-T388 VanDerWaalsContact C-N 3.29Å; C386-T388 PolarHBondContact O-N 3.21Å
389	L	79.2	Confident	77.4	Confident	48 Å²	48	35.8 Å²	35.8	25%	0.251	19%	0.194	S	C	.	.	S	Bend	trans	-88.9	-171.6	-176.3	-61.5	175.1	0	0	0	112	L344 M350 V353 C386 L387 E393 T394	L344-L389 HydrophobicContact CD2-CD1 3.49Å; L344-L389 VanDerWaalsContact CD2-CD1 3.49Å; L344-L389 HydrophobicContact CD2-CD2 4.03Å; L344-L389 HydrophobicContact CD2-CG 4.32Å; M350-L389 HydrophobicContact CE-CB 4.21Å; M350-L389 HydrophobicContact CE-CD1 4.19Å; M350-L389 HydrophobicContact CE-CD2 4.09Å; M350-L389 HydrophobicContact CE-CG 4.4Å; V353-L389 HydrophobicContact CG1-CD1 4.26Å; C386-L389 HydrophobicContact CB-CD1 3.78Å; C386-L389 WeakPolarHBondContact O-CB 3.47Å; C386-L389 WeakPolarHBondContact O-CG 3.28Å; C386-L389 PolarHBondContact O-N 3.47Å; L387-L389 PolarHBondContact O-N 2.89Å; L389-E393 HydrophobicContact CB-CB 4.12Å; L389-E393 HydrophobicContact CD1-CB 4.13Å; L389-T394 PolarHBondContact O-OG1 2.64Å
390	S	71.7	Confident	77.1	Confident	62 Å²	62	35.8 Å²	35.8	43%	0.434	19%	0.194	S	C	.	.			trans	-60.3	152.2	171.4	36.2	0	0	0	0	112.1	A392 E393 T394	S390-A392 PolarHBondContact O-N 3.37Å; S390-E393 WeakPolarHBondContact CB-OE2 3.44Å; S390-E393 PolarHBondContact O-N 3.43Å; S390-E393 VanDerWaalsContact O-N 3.08Å; S390-E393 PolarHBondContact OG-OE2 3Å; S390-T394 PolarHBondContact O-N 3.27Å; S390-T394 PolarHBondContact O-OG1 3.34Å
391	R	68.5	Low	76.9	Confident	102 Å²	102	34.4 Å²	34.4	39%	0.385	19%	0.185	S	C	.	.	H	α-helix	trans	-47.5	-37.3	-173	176.6	170.5	165.6	155.1	3.3	115.1	M395 M428 V431 E435	R391-M395 WeakPolarHBondContact O-CB 3.37Å; R391-M395 PolarHBondContact O-N 3.43Å; R391-M428 HydrophobicContact CG-CE 3.97Å; R391-V431 PolarHBondContact NH2-O 3.48Å; R391-E435 IonicContact CZ-OE1 3.69Å; R391-E435 IonicContact NE-OE1 3.3Å; R391-E435 PolarHBondContact NE-OE1 2.97Å; R391-E435 IonicContact NH2-OE1 3.8Å; R391-E435 PolarHBondContact NH2-OE1 2.94Å
392	A	69.9	Low	76.4	Confident	14 Å²	14	32.3 Å²	32.3	12%	0.116	17%	0.166	C	C	.	.	H	α-helix	trans	-73.7	-43.8	-178.2	0	0	0	0	0	112.7	S390 M395 L396	S390-A392 PolarHBondContact O-N 3.37Å; A392-M395 PolarHBondContact O-N 2.92Å; A392-L396 WeakPolarHBondContact O-CG 2.89Å; A392-L396 PolarHBondContact O-N 2.97Å
393	E	77.3	Confident	76	Confident	8 Å²	8	33.5 Å²	33.5	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-70.9	-38.4	180	-67.7	67.8	-152.1	0	0	111	M350 R354 L357 L389 S390 M395 L396 A397	M350-E393 HydrophobicContact CE-CG 3.97Å; R354-E393 HydrophobicContact CB-CG 4.42Å; R354-E393 IonicContact NH1-OE1 2.9Å; L357-E393 HydrophobicContact CD1-CB 4.21Å; L389-E393 HydrophobicContact CB-CB 4.12Å; L389-E393 HydrophobicContact CD1-CB 4.13Å; S390-E393 WeakPolarHBondContact CB-OE2 3.44Å; S390-E393 PolarHBondContact O-N 3.43Å; S390-E393 VanDerWaalsContact O-N 3.08Å; S390-E393 PolarHBondContact OG-OE2 3Å; E393-M395 VanDerWaalsContact C-N 3.33Å; E393-M395 PolarHBondContact O-N 3.34Å; E393-L396 PolarHBondContact O-N 3.43Å; E393-A397 WeakPolarHBondContact O-CB 3.3Å; E393-A397 PolarHBondContact O-N 3.34Å
394	T	75.6	Confident	75.7	Confident	8 Å²	8	33.9 Å²	33.9	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-44.5	171.5	-60.1	0	0	0	0	111.1	C386 L387 L389 S390 L396 A397 I398 M428	C386-T394 PolarHBondContact O-OG1 3.18Å; L387-T394 HydrophobicContact CD2-CG2 4.31Å; L387-T394 WeakPolarHBondContact O-CG2 3.39Å; L387-T394 PolarHBondContact O-OG1 3.34Å; L389-T394 PolarHBondContact O-OG1 2.64Å; S390-T394 PolarHBondContact O-N 3.27Å; S390-T394 PolarHBondContact O-OG1 3.34Å; T394-L396 PolarHBondContact O-N 3.37Å; T394-A397 PolarHBondContact O-N 3Å; T394-I398 HydrophobicContact CG2-CD1 3.82Å; T394-I398 HydrophobicContact CG2-CG1 4.44Å; T394-I398 VanDerWaalsContact O-CG1 3.24Å; T394-I398 WeakPolarHBondContact O-CG1 3.4Å; T394-I398 PolarHBondContact O-N 2.91Å; T394-M428 HydrophobicContact CG2-CE 4.37Å
395	M	72.1	Confident	75.3	Confident	9 Å²	9	32.7 Å²	32.7	4%	0.044	18%	0.177	C	C	.	.	H	α-helix	trans	-62	-44	178.1	-170.4	-173.3	-55.6	0	0	112.5	L297 R391 A392 E393 A397 I398 I399 V442	L297-M395 HydrophobicContact CD1-CE 4.39Å; L297-M395 HydrophobicContact CD1-SD 3.67Å; R391-M395 WeakPolarHBondContact O-CB 3.37Å; R391-M395 PolarHBondContact O-N 3.43Å; A392-M395 PolarHBondContact O-N 2.92Å; E393-M395 VanDerWaalsContact C-N 3.33Å; E393-M395 PolarHBondContact O-N 3.34Å; M395-A397 VanDerWaalsContact C-N 3.31Å; M395-A397 PolarHBondContact O-N 3.01Å; M395-I398 PolarHBondContact O-N 3.35Å; M395-I399 HydrophobicContact CG-CD1 4.18Å; M395-I399 VanDerWaalsContact O-CG1 3.32Å; M395-I399 WeakPolarHBondContact O-CG1 3.28Å; M395-I399 PolarHBondContact O-N 3.39Å; M395-V442 HydrophobicContact SD-CG2 4.18Å
396	L	78	Confident	74.5	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-38.7	175.7	-66.7	175.1	0	0	0	111.6	R354 L357 L358 I361 A392 E393 T394 I399 A400	R354-L396 HydrophobicContact CG-CD1 3.77Å; L357-L396 HydrophobicContact CB-CB 4Å; L357-L396 HydrophobicContact CB-CD1 4.28Å; L357-L396 HydrophobicContact CD1-CB 4.08Å; L358-L396 HydrophobicContact CD2-CD1 4.06Å; L358-L396 HydrophobicContact CD2-CD2 3.77Å; L358-L396 HydrophobicContact CG-CD1 4.13Å; I361-L396 HydrophobicContact CD1-CB 3.91Å; I361-L396 HydrophobicContact CD1-CD2 3.58Å; I361-L396 HydrophobicContact CD1-CG 4.32Å; I361-L396 WeakPolarHBondContact CD1-O 3.39Å; A392-L396 WeakPolarHBondContact O-CG 2.89Å; A392-L396 PolarHBondContact O-N 2.97Å; E393-L396 PolarHBondContact O-N 3.43Å; T394-L396 PolarHBondContact O-N 3.37Å; L396-I399 PolarHBondContact O-N 3.05Å; L396-A400 WeakPolarHBondContact O-CB 3.4Å; L396-A400 PolarHBondContact O-N 2.97Å
397	A	79.4	Confident	73.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-40	176.7	0	0	0	0	0	112.4	L383 C386 L387 E393 T394 M395 A400 L401	L383-A397 HydrophobicContact CD2-CB 4.32Å; C386-A397 HydrophobicContact CB-CB 3.71Å; L387-A397 HydrophobicContact CD2-CB 4.26Å; E393-A397 WeakPolarHBondContact O-CB 3.3Å; E393-A397 PolarHBondContact O-N 3.34Å; T394-A397 PolarHBondContact O-N 3Å; M395-A397 VanDerWaalsContact C-N 3.31Å; M395-A397 PolarHBondContact O-N 3.01Å; A397-A400 PolarHBondContact O-N 3.05Å; A397-L401 WeakPolarHBondContact O-CB 3.44Å; A397-L401 WeakPolarHBondContact O-CG 3.37Å; A397-L401 PolarHBondContact O-N 2.78Å
398	I	71.3	Confident	73.1	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-51.7	174.3	-71.7	168	0	0	0	110.4	L387 T394 M395 A400 L401 N402 F421 E425 M428	L387-I398 HydrophobicContact CD2-CD1 4.48Å; L387-I398 HydrophobicContact CD2-CG1 3.7Å; T394-I398 HydrophobicContact CG2-CD1 3.82Å; T394-I398 HydrophobicContact CG2-CG1 4.44Å; T394-I398 VanDerWaalsContact O-CG1 3.24Å; T394-I398 WeakPolarHBondContact O-CG1 3.4Å; T394-I398 PolarHBondContact O-N 2.91Å; M395-I398 PolarHBondContact O-N 3.35Å; I398-A400 VanDerWaalsContact C-N 3.28Å; I398-A400 PolarHBondContact O-N 3.28Å; I398-L401 PolarHBondContact O-N 2.97Å; I398-L401 VanDerWaalsContact O-N 3.12Å; I398-N402 PolarHBondContact O-N 3.36Å; I398-F421 HydrophobicContact CG1-CE2 4.47Å; I398-E425 HydrophobicContact CG2-CB 4.01Å; I398-E425 HydrophobicContact CG2-CG 3.56Å; I398-E425 WeakPolarHBondContact CG2-OE1 3.22Å; I398-M428 HydrophobicContact CD1-CB 3.94Å; I398-M428 HydrophobicContact CD1-CG 4.27Å
399	I	73.6	Confident	71.7	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-55.6	-45.5	177.5	-67.9	165.7	0	0	0	110.7	I361 M395 L396 N402 H403 V442	I361-I399 HydrophobicContact CD1-CB 4.33Å; I361-I399 HydrophobicContact CD1-CG2 4.17Å; I361-I399 HydrophobicContact CG1-CG2 4.31Å; I361-I399 HydrophobicContact CG2-CG2 4.15Å; M395-I399 HydrophobicContact CG-CD1 4.18Å; M395-I399 VanDerWaalsContact O-CG1 3.32Å; M395-I399 WeakPolarHBondContact O-CG1 3.28Å; M395-I399 PolarHBondContact O-N 3.39Å; L396-I399 PolarHBondContact O-N 3.05Å; I399-N402 PolarHBondContact O-N 3.45Å; I399-H403 PolarHBondContact O-CD2 3.36Å; I399-H403 PolarHBondContact O-N 3.28Å; I399-H403 VanDerWaalsContact O-N 3.1Å; I399-V442 HydrophobicContact CD1-CG2 4.3Å
400	A	78.1	Confident	70.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-43.4	177.7	0	0	0	0	0	112.7	I360 I361 L383 L396 A397 I398 N402 H403 I404	I360-A400 HydrophobicContact CG2-CB 4.22Å; I361-A400 HydrophobicContact CG1-CB 3.85Å; L383-A400 HydrophobicContact CD1-CB 3.69Å; L383-A400 HydrophobicContact CD2-CB 3.92Å; L383-A400 HydrophobicContact CG-CB 4.48Å; L396-A400 WeakPolarHBondContact O-CB 3.4Å; L396-A400 PolarHBondContact O-N 2.97Å; A397-A400 PolarHBondContact O-N 3.05Å; I398-A400 VanDerWaalsContact C-N 3.28Å; I398-A400 PolarHBondContact O-N 3.28Å; A400-N402 VanDerWaalsContact C-N 3.35Å; A400-H403 PolarHBondContact O-N 3.42Å; A400-I404 WeakPolarHBondContact O-CG1 3.36Å; A400-I404 PolarHBondContact O-N 3.48Å; A400-I404 VanDerWaalsContact O-N 3.11Å
401	L	76.4	Confident	68.2	Low	17 Å²	17	48.1 Å²	48.1	9%	0.089	24%	0.237	C	C	.	.	H	α-helix	trans	-64.6	-37.7	177.7	-77.6	168.5	0	0	0	112.1	L383 L387 A397 I398 I404 S405 F421	L383-L401 HydrophobicContact CB-CD1 3.93Å; L383-L401 HydrophobicContact CB-CD2 3.8Å; L383-L401 HydrophobicContact CB-CG 3.71Å; L383-L401 HydrophobicContact CD1-CD2 3.84Å; L383-L401 HydrophobicContact CD1-CG 3.84Å; L383-L401 HydrophobicContact CG-CD2 4.48Å; L383-L401 HydrophobicContact CG-CG 4.41Å; L387-L401 HydrophobicContact CD1-CD1 4.41Å; L387-L401 HydrophobicContact CD2-CD1 4.34Å; A397-L401 WeakPolarHBondContact O-CB 3.44Å; A397-L401 WeakPolarHBondContact O-CG 3.37Å; A397-L401 PolarHBondContact O-N 2.78Å; I398-L401 PolarHBondContact O-N 2.97Å; I398-L401 VanDerWaalsContact O-N 3.12Å; L401-I404 PolarHBondContact O-N 3.22Å; L401-S405 WeakPolarHBondContact O-CB 3.3Å; L401-S405 PolarHBondContact O-N 2.69Å; L401-F421 HydrophobicContact CB-CE1 4.18Å; L401-F421 HydrophobicContact CB-CE2 4.15Å; L401-F421 HydrophobicContact CB-CZ 3.48Å; L401-F421 VanDerWaalsContact CB-CZ 3.48Å; L401-F421 HydrophobicContact CD1-CD2 4.11Å; L401-F421 HydrophobicContact CD1-CE2 3.26Å; L401-F421 HydrophobicContact CD1-CZ 3.54Å; L401-F421 HydrophobicContact CG-CE2 4.31Å; L401-F421 HydrophobicContact CG-CZ 4.12Å
402	N	73.1	Confident	66.5	Low	12 Å²	12	47 Å²	47	6%	0.064	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-47.9	173.1	-93.9	-26.9	0	0	0	112.8	I398 I399 A400 I404 S405 M406 E425 T445	I398-N402 PolarHBondContact O-N 3.36Å; I399-N402 PolarHBondContact O-N 3.45Å; A400-N402 VanDerWaalsContact C-N 3.35Å; N402-I404 VanDerWaalsContact C-N 3.25Å; N402-I404 PolarHBondContact O-N 2.88Å; N402-S405 WeakPolarHBondContact O-CB 3.22Å; N402-S405 PolarHBondContact O-N 2.65Å; N402-S405 VanDerWaalsContact O-N 3.15Å; N402-M406 WeakPolarHBondContact O-CG 3.49Å; N402-M406 PolarHBondContact O-N 2.86Å; N402-E425 PolarHBondContact ND2-OE1 3.39Å; N402-E425 PolarHBondContact OD1-OE1 3.29Å; N402-E425 PolarHBondContact OD1-OE2 2.9Å; N402-T445 HydrophobicContact CB-CG2 4.2Å
403	H	73.1	Confident	65	Low	41 Å²	41	56.1 Å²	56.1	19%	0.19	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-38.3	177.4	-74.9	-64.9	0	0	0	111.8	I364 I399 A400 V407	I364-H403 HydrophobicContact CB-CB 4.48Å; I364-H403 HydrophobicContact CG2-CB 3.63Å; I399-H403 PolarHBondContact O-CD2 3.36Å; I399-H403 PolarHBondContact O-N 3.28Å; I399-H403 VanDerWaalsContact O-N 3.1Å; A400-H403 PolarHBondContact O-N 3.42Å; H403-V407 VanDerWaalsContact O-CG2 3.31Å; H403-V407 WeakPolarHBondContact O-CG2 3.45Å; H403-V407 PolarHBondContact O-N 3.29Å
404	I	76.4	Confident	63.1	Low	10 Å²	10	63 Å²	63	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-47.9	173.9	-67.7	169.6	0	0	0	111	I364 V375 V379 T380 L383 A400 L401 N402 M406 V407 H408	I364-I404 HydrophobicContact CD1-CD1 3.78Å; I364-I404 HydrophobicContact CD1-CG1 3.66Å; I364-I404 HydrophobicContact CG2-CG1 3.91Å; V375-I404 HydrophobicContact CG2-CD1 4.26Å; V375-I404 HydrophobicContact CG2-CG1 4.27Å; V375-I404 HydrophobicContact CG2-CG2 3.52Å; V379-I404 HydrophobicContact CG1-CD1 4.12Å; T380-I404 HydrophobicContact CG2-CD1 4.16Å; T380-I404 HydrophobicContact CG2-CG2 4.17Å; L383-I404 HydrophobicContact CD1-CD1 3.65Å; A400-I404 WeakPolarHBondContact O-CG1 3.36Å; A400-I404 PolarHBondContact O-N 3.48Å; A400-I404 VanDerWaalsContact O-N 3.11Å; L401-I404 PolarHBondContact O-N 3.22Å; N402-I404 VanDerWaalsContact C-N 3.25Å; N402-I404 PolarHBondContact O-N 2.88Å; I404-M406 VanDerWaalsContact C-N 3.31Å; I404-M406 PolarHBondContact O-N 3.4Å; I404-V407 PolarHBondContact O-N 3.34Å; I404-H408 PolarHBondContact O-CD2 3.46Å; I404-H408 PolarHBondContact O-N 3.28Å
405	S	71.2	Confident	61.8	Low	70 Å²	70	65 Å²	65	49%	0.49	33%	0.329	S	S	.	.	H	α-helix	trans	-57	-44.5	179	-176.5	0	0	0	0	111.9	L401 N402 V407 H408	L401-S405 WeakPolarHBondContact O-CB 3.3Å; L401-S405 PolarHBondContact O-N 2.69Å; N402-S405 WeakPolarHBondContact O-CB 3.22Å; N402-S405 PolarHBondContact O-N 2.65Å; N402-S405 VanDerWaalsContact O-N 3.15Å; S405-V407 VanDerWaalsContact C-N 3.31Å; S405-V407 PolarHBondContact O-N 3.28Å; S405-H408 CarbonylContact O-C 3.58Å; S405-H408 PolarHBondContact O-N 2.73Å
406	M	67.3	Low	60.6	Low	75 Å²	75	70.8 Å²	70.8	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-63.5	-34.2	178.6	-74.6	-63.7	-68.4	0	0	113.4	N402 I404	N402-M406 WeakPolarHBondContact O-CG 3.49Å; N402-M406 PolarHBondContact O-N 2.86Å; I404-M406 VanDerWaalsContact C-N 3.31Å; I404-M406 PolarHBondContact O-N 3.4Å
407	V	66.1	Low	59.3	Low	33 Å²	33	75.6 Å²	75.6	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-75.3	-36.4	178	173.3	0	0	0	0	111.7	K368 A371 H403 I404 S405 K409	K368-V407 HydrophobicContact CB-CG1 4.2Å; K368-V407 HydrophobicContact CD-CG1 4.14Å; K368-V407 HydrophobicContact CG-CG1 3.66Å; A371-V407 HydrophobicContact CB-CB 4.23Å; A371-V407 HydrophobicContact CB-CG1 3.98Å; A371-V407 HydrophobicContact CB-CG2 4.07Å; H403-V407 VanDerWaalsContact O-CG2 3.31Å; H403-V407 WeakPolarHBondContact O-CG2 3.45Å; H403-V407 PolarHBondContact O-N 3.29Å; I404-V407 PolarHBondContact O-N 3.34Å; S405-V407 VanDerWaalsContact C-N 3.31Å; S405-V407 PolarHBondContact O-N 3.28Å; V407-K409 PolarHBondContact O-N 3.02Å
408	H	60.3	Low	58.2	Low	79 Å²	79	78.7 Å²	78.7	37%	0.366	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	35.2	-178.2	-74.5	-77.7	0	0	0	114	I404 S405 L410	I404-H408 PolarHBondContact O-CD2 3.46Å; I404-H408 PolarHBondContact O-N 3.28Å; S405-H408 CarbonylContact O-C 3.58Å; S405-H408 PolarHBondContact O-N 2.73Å; H408-L410 PolarHBondContact O-N 3.26Å
409	K	47.2	Very low	57.3	Low	160 Å²	160	81.6 Å²	81.6	70%	0.696	41%	0.411	S	S	*	.			trans	-44.5	108.1	175.1	-90.7	-173	175.5	-175.1	0	110.9	V407	V407-K409 PolarHBondContact O-N 3.02Å
410	L	45.7	Very low	56.5	Low	162 Å²	162	85.5 Å²	85.5	85%	0.848	43%	0.432	S	S	*	.	S	Bend	trans	62.3	100.9	-179.8	-66.3	116.2	0	0	0	116.2	H408	H408-L410 PolarHBondContact O-N 3.26Å
411	E	30.8	Very low	55.8	Low	198 Å²	198	87.2 Å²	87.2	93%	0.925	44%	0.44	S	S	*	.			trans	178.5	73	132.1	-98.1	175.4	-156	0	0	110.2
412	S	34.5	Very low	55.3	Low	80 Å²	80	88.8 Å²	88.8	56%	0.559	45%	0.446	S	S	*	.			trans	-150.5	127	154.2	64.7	0	0	0	0	109.2	E414 Q418	S412-E414 PolarHBondContact O-N 3.3Å; S412-Q418 PolarHBondContact OG-NE2 2.66Å
413	K	36.8	Very low	54.9	Low	205 Å²	205	90.1 Å²	90.1	89%	0.891	45%	0.453	S	S	*	.			trans	-54.7	129.8	173.1	-79.1	176	172.3	174.4	0	109.1	S415	K413-S415 PolarHBondContact O-N 3.2Å
414	E	38.5	Very low	54.5	Low	153 Å²	153	91.3 Å²	91.3	72%	0.715	46%	0.463	S	S	*	.			trans	-50.2	121.7	-178.2	-62.5	169.7	155.3	0	0	111.2	S412 Q456	S412-E414 PolarHBondContact O-N 3.3Å; E414-Q456 PolarHBondContact OE1-NE2 3.04Å
415	S	48.5	Very low	54.1	Low	50 Å²	50	90.9 Å²	90.9	35%	0.35	46%	0.461	S	S	.	.			trans	-115	143.1	171.1	58	0	0	0	0	108.9	K413 D417 Q418	K413-S415 PolarHBondContact O-N 3.2Å; S415-D417 PolarHBondContact O-N 3.44Å; S415-Q418 WeakPolarHBondContact O-CB 3.43Å; S415-Q418 PolarHBondContact O-N 3.47Å
416	Q	46.5	Very low	54	Low	130 Å²	130	87.6 Å²	87.6	61%	0.607	44%	0.438	S	S	*	.	H	α-helix	trans	-46.5	-37.4	176.7	-172.4	64	33	0	0	113	Q418 L419 D420	Q416-Q418 PolarHBondContact O-N 2.95Å; Q416-Q418 VanDerWaalsContact O-N 3.12Å; Q416-L419 PolarHBondContact O-N 2.83Å; Q416-D420 PolarHBondContact O-N 2.99Å
417	D	49.9	Very low	54.1	Low	105 Å²	105	88.9 Å²	88.9	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-60	-20.3	176.6	-60.7	-6.8	0	0	0	115.1	S415 F421	S415-D417 PolarHBondContact O-N 3.44Å; D417-F421 WeakPolarHBondContact O-CB 3.45Å; D417-F421 PolarHBondContact O-N 3.44Å
418	Q	56	Low	54.3	Low	65 Å²	65	89.5 Å²	89.5	30%	0.304	44%	0.444	S	S	.	.	H	α-helix	trans	-82.5	-26.4	176.3	-75.3	179.5	-9.9	0	0	112.4	S412 S415 Q416 K422	S412-Q418 PolarHBondContact OG-NE2 2.66Å; S415-Q418 WeakPolarHBondContact O-CB 3.43Å; S415-Q418 PolarHBondContact O-N 3.47Å; Q416-Q418 PolarHBondContact O-N 2.95Å; Q416-Q418 VanDerWaalsContact O-N 3.12Å; Q418-K422 WeakPolarHBondContact O-CG 3.49Å; Q418-K422 PolarHBondContact O-N 3.29Å
419	L	53.3	Low	54.7	Low	64 Å²	64	85.8 Å²	85.8	34%	0.335	43%	0.427	S	S	.	.	H	α-helix	trans	-75.6	-48.7	177.2	-66.7	169	0	0	0	109.9	Q416 F421 K422 D423 Q456	Q416-L419 PolarHBondContact O-N 2.83Å; L419-F421 PolarHBondContact O-N 3.46Å; L419-K422 PolarHBondContact O-N 3.02Å; L419-K422 VanDerWaalsContact O-N 3.17Å; L419-D423 PolarHBondContact O-N 2.92Å; L419-D423 VanDerWaalsContact O-N 3.08Å; L419-Q456 HydrophobicContact CD2-CB 3.99Å; L419-Q456 HydrophobicContact CD2-CG 4.25Å
420	D	57.7	Low	55.8	Low	87 Å²	87	79.2 Å²	79.2	47%	0.465	40%	0.4	S	S	.	.	H	α-helix	trans	-59.2	-33.8	175.8	-63.3	-3.9	0	0	0	111.8	Q416 T424	Q416-D420 PolarHBondContact O-N 2.99Å; D420-T424 WeakPolarHBondContact O-CB 3.47Å; D420-T424 PolarHBondContact O-N 3.27Å; D420-T424 VanDerWaalsContact O-N 3.08Å; D420-T424 PolarHBondContact O-OG1 3.06Å
421	F	63.2	Low	56.9	Low	35 Å²	35	74.3 Å²	74.3	15%	0.154	38%	0.377	C	S	.	.	H	α-helix	trans	-65.1	-49.3	175.8	174	-102.7	0	0	0	112.5	L387 I398 L401 D417 L419 T424 E425	L387-F421 HydrophobicContact CD1-CD2 3.61Å; L387-F421 HydrophobicContact CD1-CE2 3.87Å; L387-F421 HydrophobicContact CD2-CE2 4.02Å; I398-F421 HydrophobicContact CG1-CE2 4.47Å; L401-F421 HydrophobicContact CB-CE1 4.18Å; L401-F421 HydrophobicContact CB-CE2 4.15Å; L401-F421 HydrophobicContact CB-CZ 3.48Å; L401-F421 VanDerWaalsContact CB-CZ 3.48Å; L401-F421 HydrophobicContact CD1-CD2 4.11Å; L401-F421 HydrophobicContact CD1-CE2 3.26Å; L401-F421 HydrophobicContact CD1-CZ 3.54Å; L401-F421 HydrophobicContact CG-CE2 4.31Å; L401-F421 HydrophobicContact CG-CZ 4.12Å; D417-F421 WeakPolarHBondContact O-CB 3.45Å; D417-F421 PolarHBondContact O-N 3.44Å; L419-F421 PolarHBondContact O-N 3.46Å; F421-T424 PolarHBondContact O-N 3.5Å; F421-E425 WeakPolarHBondContact O-CB 3.46Å; F421-E425 PolarHBondContact O-N 2.93Å
422	K	64.4	Low	58.6	Low	50 Å²	50	65.1 Å²	65.1	22%	0.217	33%	0.334	C	S	.	.	H	α-helix	trans	-67.5	-34.6	-178.5	-75.1	-178.2	-178.8	178.1	0	112.6	Q418 L419 L426 Q456 L457	Q418-K422 WeakPolarHBondContact O-CG 3.49Å; Q418-K422 PolarHBondContact O-N 3.29Å; L419-K422 PolarHBondContact O-N 3.02Å; L419-K422 VanDerWaalsContact O-N 3.17Å; K422-L426 PolarHBondContact O-N 3.42Å; K422-Q456 VanDerWaalsContact NZ-OE1 3.11Å; K422-L457 HydrophobicContact CB-CD1 4.07Å; K422-L457 HydrophobicContact CB-CD2 3.94Å; K422-L457 HydrophobicContact CB-CG 4.43Å; K422-L457 HydrophobicContact CD-CD1 4.28Å
423	D	64.4	Low	60.1	Low	41 Å²	41	61.5 Å²	61.5	22%	0.219	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-52.2	173	177.5	20.8	0	0	0	111	L419 E425 L426 Q427	L419-D423 PolarHBondContact O-N 2.92Å; L419-D423 VanDerWaalsContact O-N 3.08Å; D423-E425 PolarHBondContact O-N 3.09Å; D423-L426 PolarHBondContact O-N 3.42Å; D423-L426 VanDerWaalsContact O-N 3.17Å; D423-Q427 WeakPolarHBondContact O-CG 3.42Å; D423-Q427 PolarHBondContact O-N 3.11Å; D423-Q427 PolarHBondContact OD1-NE2 3.27Å
424	T	65.1	Low	61.3	Low	65 Å²	65	57.5 Å²	57.5	40%	0.399	29%	0.291	S	S	.	.	H	α-helix	trans	-57.3	-38.8	176.9	-54.2	0	0	0	0	111.5	D420 F421 M428	D420-T424 WeakPolarHBondContact O-CB 3.47Å; D420-T424 PolarHBondContact O-N 3.27Å; D420-T424 VanDerWaalsContact O-N 3.08Å; D420-T424 PolarHBondContact O-OG1 3.06Å; F421-T424 PolarHBondContact O-N 3.5Å; T424-M428 HydrophobicContact CG2-CG 4.37Å; T424-M428 VanDerWaalsContact O-CB 3.28Å; T424-M428 WeakPolarHBondContact O-CB 3.5Å; T424-M428 WeakPolarHBondContact O-CG 3.28Å; T424-M428 PolarHBondContact O-N 3.1Å
425	E	68.9	Low	62.5	Low	2 Å²	2	53.1 Å²	53.1	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-47.4	177.1	164.4	168.3	-110.1	0	0	113	I398 N402 F421 D423 M428 L429 L449	I398-E425 HydrophobicContact CG2-CB 4.01Å; I398-E425 HydrophobicContact CG2-CG 3.56Å; I398-E425 WeakPolarHBondContact CG2-OE1 3.22Å; N402-E425 PolarHBondContact ND2-OE1 3.39Å; N402-E425 PolarHBondContact OD1-OE1 3.29Å; N402-E425 PolarHBondContact OD1-OE2 2.9Å; F421-E425 WeakPolarHBondContact O-CB 3.46Å; F421-E425 PolarHBondContact O-N 2.93Å; D423-E425 PolarHBondContact O-N 3.09Å; E425-M428 PolarHBondContact O-N 3.24Å; E425-L429 HydrophobicContact CG-CD1 4.07Å; E425-L429 WeakPolarHBondContact O-CB 3.29Å; E425-L429 VanDerWaalsContact O-CG 3.26Å; E425-L429 WeakPolarHBondContact O-CG 3.4Å; E425-L429 PolarHBondContact O-N 2.97Å; E425-L449 HydrophobicContact CG-CD1 3.59Å
426	L	69.1	Low	62.3	Low	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.4	-46.2	178.2	-174.6	70.4	0	0	0	111.6	K422 D423 M428 L429 V430 L446 L449 L450 E460 V464	K422-L426 PolarHBondContact O-N 3.42Å; D423-L426 PolarHBondContact O-N 3.42Å; D423-L426 VanDerWaalsContact O-N 3.17Å; L426-M428 VanDerWaalsContact C-N 3.34Å; L426-M428 PolarHBondContact O-N 3.34Å; L426-L429 PolarHBondContact O-N 3.33Å; L426-V430 WeakPolarHBondContact O-CG2 3.35Å; L426-V430 PolarHBondContact O-N 3.47Å; L426-L446 HydrophobicContact CD1-CD1 3.96Å; L426-L449 HydrophobicContact CD1-CB 4.2Å; L426-L450 HydrophobicContact CD1-CD2 3.94Å; L426-L450 HydrophobicContact CD1-CG 4.4Å; L426-E460 HydrophobicContact CD2-CB 3.74Å; L426-V464 HydrophobicContact CD2-CG2 3.82Å; L426-V464 HydrophobicContact CG-CG2 4.02Å
427	Q	69.8	Low	62.6	Low	102 Å²	102	55.7 Å²	55.7	48%	0.477	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-42.6	179	-67.3	-176.6	18.9	0	0	111.8	D423 V430 V431	D423-Q427 WeakPolarHBondContact O-CG 3.42Å; D423-Q427 PolarHBondContact O-N 3.11Å; D423-Q427 PolarHBondContact OD1-NE2 3.27Å; Q427-V430 PolarHBondContact O-N 3.46Å; Q427-V431 WeakPolarHBondContact O-CB 3.39Å; Q427-V431 VanDerWaalsContact O-CG2 3.26Å; Q427-V431 WeakPolarHBondContact O-CG2 3.37Å; Q427-V431 PolarHBondContact O-N 3.05Å
428	M	68.6	Low	63	Low	46 Å²	46	51.2 Å²	51.2	23%	0.227	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-38.3	179.3	-73	-63.5	-65	0	0	112.5	R391 T394 I398 T424 E425 L426 V431 S432	R391-M428 HydrophobicContact CG-CE 3.97Å; T394-M428 HydrophobicContact CG2-CE 4.37Å; I398-M428 HydrophobicContact CD1-CB 3.94Å; I398-M428 HydrophobicContact CD1-CG 4.27Å; T424-M428 HydrophobicContact CG2-CG 4.37Å; T424-M428 VanDerWaalsContact O-CB 3.28Å; T424-M428 WeakPolarHBondContact O-CB 3.5Å; T424-M428 WeakPolarHBondContact O-CG 3.28Å; T424-M428 PolarHBondContact O-N 3.1Å; E425-M428 PolarHBondContact O-N 3.24Å; L426-M428 VanDerWaalsContact C-N 3.34Å; L426-M428 PolarHBondContact O-N 3.34Å; M428-V431 PolarHBondContact O-N 3.33Å; M428-S432 WeakPolarHBondContact O-CB 3.43Å; M428-S432 PolarHBondContact O-N 2.91Å
429	L	69.6	Low	63.3	Low	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-43.9	174.7	-72.9	169.2	0	0	0	111.1	E425 L426 V431 S432 L433 V442 L446 L449	E425-L429 HydrophobicContact CG-CD1 4.07Å; E425-L429 WeakPolarHBondContact O-CB 3.29Å; E425-L429 VanDerWaalsContact O-CG 3.26Å; E425-L429 WeakPolarHBondContact O-CG 3.4Å; E425-L429 PolarHBondContact O-N 2.97Å; L426-L429 PolarHBondContact O-N 3.33Å; L429-V431 VanDerWaalsContact C-N 3.32Å; L429-V431 PolarHBondContact O-N 3.08Å; L429-S432 WeakPolarHBondContact CA-OG 3.31Å; L429-S432 WeakPolarHBondContact O-CB 3.47Å; L429-S432 PolarHBondContact O-N 2.85Å; L429-S432 VanDerWaalsContact O-N 3.11Å; L429-S432 PolarHBondContact O-OG 3Å; L429-L433 PolarHBondContact O-N 3.09Å; L429-L433 VanDerWaalsContact O-N 3.16Å; L429-V442 HydrophobicContact CD2-CB 4.31Å; L429-V442 HydrophobicContact CD2-CG1 3.85Å; L429-V442 HydrophobicContact CD2-CG2 4.24Å; L429-L446 HydrophobicContact CB-CD1 4.36Å; L429-L449 HydrophobicContact CD1-CD1 3.37Å
430	V	70.3	Confident	64.1	Low	21 Å²	21	50.5 Å²	50.5	13%	0.127	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-42.4	175.3	171.4	0	0	0	0	111.5	L426 Q427 S432 L433 L446 V464 T470	L426-V430 WeakPolarHBondContact O-CG2 3.35Å; L426-V430 PolarHBondContact O-N 3.47Å; Q427-V430 PolarHBondContact O-N 3.46Å; V430-S432 VanDerWaalsContact C-N 3.27Å; V430-S432 PolarHBondContact O-N 3.22Å; V430-L433 PolarHBondContact O-N 2.96Å; V430-L446 HydrophobicContact CG2-CD1 4.38Å; V430-V464 HydrophobicContact CG2-CB 4.41Å; V430-V464 HydrophobicContact CG2-CG1 3.64Å; V430-V464 HydrophobicContact CG2-CG2 3.79Å; V430-T470 HydrophobicContact CG1-CG2 4.17Å; V430-T470 VanDerWaalsContact CG1-OG1 3.29Å; V430-T470 WeakPolarHBondContact CG1-OG1 3.48Å; V430-T470 HydrophobicContact CG2-CG2 4.37Å
431	V	69.9	Low	64.5	Low	60 Å²	60	48 Å²	48	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-66.2	-30.8	176.6	166.9	0	0	0	0	111.9	R391 Q427 M428 L429	R391-V431 PolarHBondContact NH2-O 3.48Å; Q427-V431 WeakPolarHBondContact O-CB 3.39Å; Q427-V431 VanDerWaalsContact O-CG2 3.26Å; Q427-V431 WeakPolarHBondContact O-CG2 3.37Å; Q427-V431 PolarHBondContact O-N 3.05Å; M428-V431 PolarHBondContact O-N 3.33Å; L429-V431 VanDerWaalsContact C-N 3.32Å; L429-V431 PolarHBondContact O-N 3.08Å
432	S	64.8	Low	64.9	Low	4 Å²	4	46.5 Å²	46.5	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-73.8	-25.4	177.6	77.7	0	0	0	0	114.2	M428 L429 V430 K434 E435 V442	M428-S432 WeakPolarHBondContact O-CB 3.43Å; M428-S432 PolarHBondContact O-N 2.91Å; L429-S432 WeakPolarHBondContact CA-OG 3.31Å; L429-S432 WeakPolarHBondContact O-CB 3.47Å; L429-S432 PolarHBondContact O-N 2.85Å; L429-S432 VanDerWaalsContact O-N 3.11Å; L429-S432 PolarHBondContact O-OG 3Å; V430-S432 VanDerWaalsContact C-N 3.27Å; V430-S432 PolarHBondContact O-N 3.22Å; S432-K434 PolarHBondContact O-N 2.87Å; S432-K434 VanDerWaalsContact O-N 3.12Å; S432-E435 WeakPolarHBondContact O-CB 3.32Å; S432-E435 PolarHBondContact O-N 3.4Å; S432-V442 VanDerWaalsContact OG-CG1 3.28Å; S432-V442 WeakPolarHBondContact OG-CG1 3.45Å
433	L	66.8	Low	65.5	Low	5 Å²	5	44.1 Å²	44.1	3%	0.026	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.3	174.9	-65.9	175	0	0	0	112.8	L429 V430 E435 V438 V442 L446 T470 D473 L474 L477	L429-L433 PolarHBondContact O-N 3.09Å; L429-L433 VanDerWaalsContact O-N 3.16Å; V430-L433 PolarHBondContact O-N 2.96Å; L433-E435 VanDerWaalsContact C-N 3.26Å; L433-E435 PolarHBondContact O-N 3.03Å; L433-V438 HydrophobicContact CD2-CG1 4.2Å; L433-V442 HydrophobicContact CD2-CG1 4.4Å; L433-L446 HydrophobicContact CD1-CD2 3.69Å; L433-L446 HydrophobicContact CD2-CD2 4.16Å; L433-L446 HydrophobicContact CG-CD2 4.3Å; L433-T470 HydrophobicContact CD1-CG2 3.86Å; L433-D473 HydrophobicContact CB-CB 4.28Å; L433-L474 HydrophobicContact CD1-CD2 4.3Å; L433-L474 HydrophobicContact CD1-CG 4.43Å; L433-L477 HydrophobicContact CD2-CD1 3.7Å
434	K	63	Low	66.1	Low	120 Å²	120	45.1 Å²	45.1	52%	0.522	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.4	177	-65.2	-175.8	174.2	-169	0	113.4	S432 D469 D473	S432-K434 PolarHBondContact O-N 2.87Å; S432-K434 VanDerWaalsContact O-N 3.12Å; K434-D469 IonicContact NZ-OD2 3.57Å; K434-D469 PolarHBondContact NZ-OD2 3.47Å; K434-D473 VanDerWaalsContact CG-OD2 3.28Å; K434-D473 WeakPolarHBondContact CG-OD2 3.36Å
435	E	62.1	Low	66.3	Low	62 Å²	62	42.3 Å²	42.3	29%	0.29	21%	0.214	S	C	.	.	S	Bend	trans	-83.5	143.8	178.9	-66.2	180	-158.1	0	0	111.9	R391 S432 L433 T437 V438	R391-E435 IonicContact CZ-OE1 3.69Å; R391-E435 IonicContact NE-OE1 3.3Å; R391-E435 PolarHBondContact NE-OE1 2.97Å; R391-E435 IonicContact NH2-OE1 3.8Å; R391-E435 PolarHBondContact NH2-OE1 2.94Å; S432-E435 WeakPolarHBondContact O-CB 3.32Å; S432-E435 PolarHBondContact O-N 3.4Å; L433-E435 VanDerWaalsContact C-N 3.26Å; L433-E435 PolarHBondContact O-N 3.03Å; E435-T437 PolarHBondContact O-N 3.48Å; E435-V438 WeakPolarHBondContact O-CG2 3.42Å
436	L	44.6	Very low	66.6	Low	158 Å²	158	42.2 Å²	42.2	83%	0.827	21%	0.214	S	C	*	.	S	Bend	trans	-63.3	-14	-171.8	-115	128	0	0	0	115.2	Q480	L436-Q480 PolarHBondContact O-NE2 3.31Å
437	T	52.3	Low	67.2	Low	75 Å²	75	43.5 Å²	43.5	46%	0.46	22%	0.22	S	C	.	.	S	Bend	trans	-133.2	68.9	-175.9	55.7	0	0	0	0	110.7	L297 E435 T439	L297-T437 WeakPolarHBondContact CD2-O 3.35Å; E435-T437 PolarHBondContact O-N 3.48Å; T437-T439 PolarHBondContact O-N 2.94Å
438	V	58.4	Low	67.5	Low	12 Å²	12	41.5 Å²	41.5	7%	0.073	21%	0.211	C	C	.	.			trans	-69.6	129.8	174.6	-176.9	0	0	0	0	109.8	L433 E435 V442 I443 L477	L433-V438 HydrophobicContact CD2-CG1 4.2Å; E435-V438 WeakPolarHBondContact O-CG2 3.42Å; V438-V442 HydrophobicContact CG1-CB 3.98Å; V438-V442 HydrophobicContact CG1-CG1 3.83Å; V438-I443 HydrophobicContact CG1-CD1 4.01Å; V438-I443 HydrophobicContact CG1-CG1 3.7Å; V438-L477 HydrophobicContact CB-CD1 4.34Å; V438-L477 HydrophobicContact CB-CD2 3.91Å; V438-L477 HydrophobicContact CG1-CD1 4.36Å; V438-L477 HydrophobicContact CG2-CD1 4.02Å; V438-L477 HydrophobicContact CG2-CD2 3.75Å
439	T	62.3	Low	67.6	Low	32 Å²	32	40 Å²	40	20%	0.196	20%	0.203	C	C	.	.			trans	-80.9	148.6	175.6	52.4	0	0	0	0	110.9	L297 T437 E441 V442 I443	L297-T439 HydrophobicContact CD2-CG2 3.51Å; L297-T439 HydrophobicContact CG-CG2 4.48Å; T437-T439 PolarHBondContact O-N 2.94Å; T439-E441 PolarHBondContact O-N 2.77Å; T439-E441 VanDerWaalsContact O-N 3.11Å; T439-V442 WeakPolarHBondContact O-CB 3.5Å; T439-V442 PolarHBondContact O-N 3.3Å; T439-V442 VanDerWaalsContact OG1-CG2 3.32Å; T439-V442 WeakPolarHBondContact OG1-CG2 3.33Å; T439-I443 PolarHBondContact O-N 3.15Å
440	K	71.4	Confident	67.8	Low	81 Å²	81	39.9 Å²	39.9	35%	0.352	20%	0.203	S	C	.	.	H	α-helix	trans	-49.7	-35.9	173.3	178.6	174.8	-172.5	145.5	0	113.1	I443 Q444 D484 A486 V487	K440-I443 PolarHBondContact O-N 3.06Å; K440-Q444 VanDerWaalsContact O-CG 3.29Å; K440-Q444 WeakPolarHBondContact O-CG 3.35Å; K440-Q444 PolarHBondContact O-N 3.42Å; K440-D484 IonicContact NZ-OD1 2.75Å; K440-D484 PolarHBondContact NZ-OD1 2.88Å; K440-D484 IonicContact NZ-OD2 3.62Å; K440-D484 PolarHBondContact NZ-OD2 3.27Å; K440-A486 VanDerWaalsContact CE-CB 3.45Å; K440-V487 HydrophobicContact CB-CG2 4.09Å; K440-V487 HydrophobicContact CD-CG2 4.36Å; K440-V487 HydrophobicContact CG-CG2 3.81Å
441	E	66.3	Low	67.9	Low	36 Å²	36	40.8 Å²	40.8	17%	0.168	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-38.4	178.2	-76.9	152.8	-148.2	0	0	113	H295 T439 I443 Q444 T445	H295-E441 IonicContact CE1-OE1 2.75Å; H295-E441 PolarHBondContact CE1-OE1 2.86Å; H295-E441 IonicContact CE1-OE2 3.43Å; H295-E441 VanDerWaalsContact ND1-CD 3.26Å; H295-E441 IonicContact ND1-OE1 3.37Å; H295-E441 PolarHBondContact ND1-OE1 3.33Å; H295-E441 IonicContact ND1-OE2 3.64Å; H295-E441 PolarHBondContact ND1-OE2 3.36Å; T439-E441 PolarHBondContact O-N 2.77Å; T439-E441 VanDerWaalsContact O-N 3.11Å; E441-I443 VanDerWaalsContact C-N 3.34Å; E441-I443 PolarHBondContact O-N 2.89Å; E441-Q444 PolarHBondContact O-N 3.18Å; E441-T445 WeakPolarHBondContact O-CB 3.35Å; E441-T445 VanDerWaalsContact O-CG2 3.3Å; E441-T445 WeakPolarHBondContact O-CG2 3.2Å; E441-T445 PolarHBondContact O-N 3.03Å; E441-T445 PolarHBondContact O-OG1 3.37Å
442	V	71.1	Confident	67.9	Low	2 Å²	2	41.6 Å²	41.6	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-41.5	176.5	166.5	0	0	0	0	110.9	M395 I399 L429 S432 L433 V438 T439 T445 L446	M395-V442 HydrophobicContact SD-CG2 4.18Å; I399-V442 HydrophobicContact CD1-CG2 4.3Å; L429-V442 HydrophobicContact CD2-CB 4.31Å; L429-V442 HydrophobicContact CD2-CG1 3.85Å; L429-V442 HydrophobicContact CD2-CG2 4.24Å; S432-V442 VanDerWaalsContact OG-CG1 3.28Å; S432-V442 WeakPolarHBondContact OG-CG1 3.45Å; L433-V442 HydrophobicContact CD2-CG1 4.4Å; V438-V442 HydrophobicContact CG1-CB 3.98Å; V438-V442 HydrophobicContact CG1-CG1 3.83Å; T439-V442 WeakPolarHBondContact O-CB 3.5Å; T439-V442 PolarHBondContact O-N 3.3Å; T439-V442 VanDerWaalsContact OG1-CG2 3.32Å; T439-V442 WeakPolarHBondContact OG1-CG2 3.33Å; V442-T445 WeakPolarHBondContact CA-OG1 3.32Å; V442-T445 PolarHBondContact O-OG1 2.71Å; V442-L446 VanDerWaalsContact O-CB 3.27Å; V442-L446 WeakPolarHBondContact O-CB 3.4Å; V442-L446 PolarHBondContact O-N 2.86Å
443	I	76.3	Confident	67.5	Low	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-69.7	-39.2	179.3	-59.5	174.8	0	0	0	110.8	V438 T439 K440 E441 E447 L477 V487 I491 I494	V438-I443 HydrophobicContact CG1-CD1 4.01Å; V438-I443 HydrophobicContact CG1-CG1 3.7Å; T439-I443 PolarHBondContact O-N 3.15Å; K440-I443 PolarHBondContact O-N 3.06Å; E441-I443 VanDerWaalsContact C-N 3.34Å; E441-I443 PolarHBondContact O-N 2.89Å; I443-E447 WeakPolarHBondContact O-CB 3.46Å; I443-E447 PolarHBondContact O-N 3.25Å; I443-L477 HydrophobicContact CD1-CD1 4.37Å; I443-V487 HydrophobicContact CD1-CG1 3.63Å; I443-I491 HydrophobicContact CD1-CD1 4.42Å; I443-I491 HydrophobicContact CG2-CG1 3.78Å; I443-I494 HydrophobicContact CG2-CD1 4.39Å
444	Q	76.9	Confident	67.1	Low	62 Å²	62	51.6 Å²	51.6	29%	0.29	27%	0.267	S	S	.	.	H	α-helix	trans	-70.4	-37.8	178.1	-73.7	177.8	-18.1	0	0	113	K440 E441 E447 Q448	K440-Q444 VanDerWaalsContact O-CG 3.29Å; K440-Q444 WeakPolarHBondContact O-CG 3.35Å; K440-Q444 PolarHBondContact O-N 3.42Å; E441-Q444 PolarHBondContact O-N 3.18Å; Q444-E447 WeakPolarHBondContact O-CB 3.45Å; Q444-E447 PolarHBondContact O-N 2.7Å; Q444-Q448 WeakPolarHBondContact O-CG 3.17Å; Q444-Q448 PolarHBondContact O-N 3.08Å
445	T	69.9	Low	66.6	Low	6 Å²	6	50.3 Å²	50.3	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-39.6	174.6	47	0	0	0	0	111.2	N402 E441 V442 E447 Q448 L449	N402-T445 HydrophobicContact CB-CG2 4.2Å; E441-T445 WeakPolarHBondContact O-CB 3.35Å; E441-T445 VanDerWaalsContact O-CG2 3.3Å; E441-T445 WeakPolarHBondContact O-CG2 3.2Å; E441-T445 PolarHBondContact O-N 3.03Å; E441-T445 PolarHBondContact O-OG1 3.37Å; V442-T445 WeakPolarHBondContact CA-OG1 3.32Å; V442-T445 PolarHBondContact O-OG1 2.71Å; T445-E447 PolarHBondContact O-N 3.42Å; T445-Q448 PolarHBondContact O-N 3.06Å; T445-L449 WeakPolarHBondContact O-CG 3.39Å; T445-L449 PolarHBondContact O-N 3.39Å
446	L	75.9	Confident	66.4	Low	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.3	-41.7	172.1	-175.8	67.3	0	0	0	112.2	L426 L429 V430 L433 V442 Q448 L449 L450 L474 I494	L426-L446 HydrophobicContact CD1-CD1 3.96Å; L429-L446 HydrophobicContact CB-CD1 4.36Å; V430-L446 HydrophobicContact CG2-CD1 4.38Å; L433-L446 HydrophobicContact CD1-CD2 3.69Å; L433-L446 HydrophobicContact CD2-CD2 4.16Å; L433-L446 HydrophobicContact CG-CD2 4.3Å; V442-L446 VanDerWaalsContact O-CB 3.27Å; V442-L446 WeakPolarHBondContact O-CB 3.4Å; V442-L446 PolarHBondContact O-N 2.86Å; L446-Q448 VanDerWaalsContact C-N 3.34Å; L446-Q448 PolarHBondContact O-N 3.18Å; L446-L449 PolarHBondContact O-N 3.1Å; L446-L450 HydrophobicContact CD1-CD1 3.83Å; L446-L450 HydrophobicContact CD1-CG 4.06Å; L446-L450 HydrophobicContact CD2-CD1 4.42Å; L446-L450 HydrophobicContact CG-CD1 3.79Å; L446-L450 HydrophobicContact CG-CG 4.33Å; L446-L450 WeakPolarHBondContact O-CB 3.47Å; L446-L450 VanDerWaalsContact O-CG 3.31Å; L446-L450 WeakPolarHBondContact O-CG 3.43Å; L446-L450 PolarHBondContact O-N 3.33Å; L446-L474 HydrophobicContact CD2-CD2 4.35Å; L446-I494 HydrophobicContact CB-CD1 4.39Å; L446-I494 HydrophobicContact CD2-CD1 4.11Å; L446-I494 HydrophobicContact CG-CD1 4.16Å
447	E	79.9	Confident	67.1	Low	27 Å²	27	43.1 Å²	43.1	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-56.2	-49	173.2	-178.9	-160.4	163.4	0	0	110.8	I443 Q444 T445 L450 C451 S490 R493 I494	I443-E447 WeakPolarHBondContact O-CB 3.46Å; I443-E447 PolarHBondContact O-N 3.25Å; Q444-E447 WeakPolarHBondContact O-CB 3.45Å; Q444-E447 PolarHBondContact O-N 2.7Å; T445-E447 PolarHBondContact O-N 3.42Å; E447-L450 PolarHBondContact O-N 3.18Å; E447-C451 WeakPolarHBondContact O-CB 3.26Å; E447-C451 PolarHBondContact O-N 3.42Å; E447-C451 PolarHBondContact O-SG 3.5Å; E447-S490 VanDerWaalsContact OE2-CA 3.25Å; E447-S490 WeakPolarHBondContact OE2-CA 3.26Å; E447-S490 WeakPolarHBondContact OE2-CB 3.43Å; E447-S490 PolarHBondContact OE2-OG 2.94Å; E447-R493 HydrophobicContact CG-CB 4.21Å; E447-R493 WeakPolarHBondContact OE1-CD 3.35Å; E447-R493 IonicContact OE1-CZ 3.07Å; E447-R493 IonicContact OE1-NE 3.96Å; E447-R493 IonicContact OE1-NH1 2.72Å; E447-R493 PolarHBondContact OE1-NH1 3.15Å; E447-R493 IonicContact OE2-NH1 2.72Å; E447-I494 HydrophobicContact CB-CD1 4.05Å; E447-I494 HydrophobicContact CB-CG1 3.98Å; E447-I494 HydrophobicContact CG-CG1 4.37Å
448	Q	76.4	Confident	67.8	Low	60 Å²	60	44.1 Å²	44.1	28%	0.28	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-50.1	179.2	-72.3	169.9	-0.8	0	0	111.5	Q444 T445 L446 L450 C451 D452	Q444-Q448 WeakPolarHBondContact O-CG 3.17Å; Q444-Q448 PolarHBondContact O-N 3.08Å; T445-Q448 PolarHBondContact O-N 3.06Å; L446-Q448 VanDerWaalsContact C-N 3.34Å; L446-Q448 PolarHBondContact O-N 3.18Å; Q448-L450 VanDerWaalsContact C-N 3.3Å; Q448-L450 PolarHBondContact O-N 3.31Å; Q448-C451 PolarHBondContact O-N 2.81Å; Q448-D452 VanDerWaalsContact O-CB 3.22Å; Q448-D452 WeakPolarHBondContact O-CB 3.48Å; Q448-D452 VanDerWaalsContact O-CG 3.25Å; Q448-D452 PolarHBondContact O-N 3.08Å
449	L	72	Confident	68.2	Low	14 Å²	14	49.5 Å²	49.5	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-31	-177.4	-69.6	166.5	0	0	0	113.3	E425 L426 L429 T445 L446 R461	E425-L449 HydrophobicContact CG-CD1 3.59Å; L426-L449 HydrophobicContact CD1-CB 4.2Å; L429-L449 HydrophobicContact CD1-CD1 3.37Å; T445-L449 WeakPolarHBondContact O-CG 3.39Å; T445-L449 PolarHBondContact O-N 3.39Å; L446-L449 PolarHBondContact O-N 3.1Å; L449-R461 PolarHBondContact O-NE 2.92Å; L449-R461 PolarHBondContact O-NH2 3.45Å
450	L	73.2	Confident	68.4	Low	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-85.3	-32	177.3	-67.2	177.8	0	0	0	112.9	L426 L446 E447 Q448 R461 V464 I494 K497 F498	L426-L450 HydrophobicContact CD1-CD2 3.94Å; L426-L450 HydrophobicContact CD1-CG 4.4Å; L446-L450 HydrophobicContact CD1-CD1 3.83Å; L446-L450 HydrophobicContact CD1-CG 4.06Å; L446-L450 HydrophobicContact CD2-CD1 4.42Å; L446-L450 HydrophobicContact CG-CD1 3.79Å; L446-L450 HydrophobicContact CG-CG 4.33Å; L446-L450 WeakPolarHBondContact O-CB 3.47Å; L446-L450 VanDerWaalsContact O-CG 3.31Å; L446-L450 WeakPolarHBondContact O-CG 3.43Å; L446-L450 PolarHBondContact O-N 3.33Å; E447-L450 PolarHBondContact O-N 3.18Å; Q448-L450 VanDerWaalsContact C-N 3.3Å; Q448-L450 PolarHBondContact O-N 3.31Å; L450-R461 HydrophobicContact CD2-CB 4.47Å; L450-R461 HydrophobicContact CD2-CG 4.06Å; L450-V464 HydrophobicContact CD1-CG1 4.48Å; L450-V464 HydrophobicContact CD2-CB 4.38Å; L450-V464 HydrophobicContact CD2-CG1 4.16Å; L450-I494 HydrophobicContact CD1-CG1 4.38Å; L450-I494 HydrophobicContact CD1-CG2 3.64Å; L450-K497 WeakPolarHBondContact O-CE 3.36Å; L450-F498 HydrophobicContact CD1-CE2 4.2Å
451	C	72.2	Confident	68.6	Low	40 Å²	40	47.6 Å²	47.6	27%	0.27	25%	0.253	S	S	.	.	H	α-helix	trans	-99	-12.3	-173.7	-57.5	0	0	0	0	114.7	E447 Q448 D453	E447-C451 WeakPolarHBondContact O-CB 3.26Å; E447-C451 PolarHBondContact O-N 3.42Å; E447-C451 PolarHBondContact O-SG 3.5Å; Q448-C451 PolarHBondContact O-N 2.81Å; C451-D453 PolarHBondContact O-N 2.91Å
452	D	70.9	Confident	68.8	Low	77 Å²	77	51.7 Å²	51.7	41%	0.412	27%	0.266	S	S	.	.			trans	-69.7	125	177	-88.9	-16.8	0	0	0	111.6	Q448 T454 R461	Q448-D452 VanDerWaalsContact O-CB 3.22Å; Q448-D452 WeakPolarHBondContact O-CB 3.48Å; Q448-D452 VanDerWaalsContact O-CG 3.25Å; Q448-D452 PolarHBondContact O-N 3.08Å; D452-T454 PolarHBondContact O-N 3.42Å; D452-R461 PolarHBondContact O-NH1 3.37Å; D452-R461 PolarHBondContact O-NH2 3.06Å
453	D	55.8	Low	69	Low	153 Å²	153	58.1 Å²	58.1	82%	0.818	30%	0.296	S	S	*	.			trans	-72	20.3	-177	-65.7	-42.4	0	0	0	115.4	C451	C451-D453 PolarHBondContact O-N 2.91Å
454	T	57.1	Low	69	Low	65 Å²	65	58.8 Å²	58.8	40%	0.399	30%	0.3	S	S	.	.			trans	-77.4	125.2	175.4	59.8	0	0	0	0	110.5	D452 Q456 R461	D452-T454 PolarHBondContact O-N 3.42Å; T454-Q456 PolarHBondContact O-N 2.91Å; T454-R461 PolarHBondContact O-NH1 3.3Å
455	S	53.8	Low	69	Low	93 Å²	93	56 Å²	56	65%	0.65	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-70.4	8.7	-171	60.9	0	0	0	0	115.6
456	Q	58.1	Low	69.4	Low	65 Å²	65	58.2 Å²	58.2	30%	0.304	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-88.2	-12.8	-166.7	-68.8	178.1	-15.2	0	0	114.7	E414 L419 K422 T454	E414-Q456 PolarHBondContact OE1-NE2 3.04Å; L419-Q456 HydrophobicContact CD2-CB 3.99Å; L419-Q456 HydrophobicContact CD2-CG 4.25Å; K422-Q456 VanDerWaalsContact NZ-OE1 3.11Å; T454-Q456 PolarHBondContact O-N 2.91Å
457	L	59.8	Low	69.7	Low	4 Å²	4	60 Å²	60	2%	0.021	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-128.5	24.6	-174.3	-65.3	171.4	0	0	0	113.1	K422 D459 E460 R461	K422-L457 HydrophobicContact CB-CD1 4.07Å; K422-L457 HydrophobicContact CB-CD2 3.94Å; K422-L457 HydrophobicContact CB-CG 4.43Å; K422-L457 HydrophobicContact CD-CD1 4.28Å; L457-D459 VanDerWaalsContact C-N 3.3Å; L457-D459 PolarHBondContact O-N 3.25Å; L457-E460 VanDerWaalsContact CA-OE2 3.28Å; L457-E460 WeakPolarHBondContact CA-OE2 3.45Å; L457-R461 HydrophobicContact CB-CG 4.17Å; L457-R461 WeakPolarHBondContact O-CB 3.13Å; L457-R461 VanDerWaalsContact O-CD 3.29Å; L457-R461 WeakPolarHBondContact O-CD 3.47Å; L457-R461 WeakPolarHBondContact O-CG 3.38Å; L457-R461 PolarHBondContact O-N 3.38Å
458	E	65.1	Low	69.8	Low	97 Å²	97	65.4 Å²	65.4	45%	0.453	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-36.9	-171.8	-73.6	-165.9	-171.6	0	0	113.3	R462	E458-R462 WeakPolarHBondContact O-CB 3.38Å; E458-R462 WeakPolarHBondContact O-CG 3.49Å; E458-R462 PolarHBondContact O-N 3.29Å; E458-R462 IonicContact OE2-NH2 3.98Å; E458-R462 PolarHBondContact OE2-NH2 3.15Å
459	D	66.7	Low	70	Confident	125 Å²	125	66.4 Å²	66.4	67%	0.668	34%	0.337	S	S	*	.	H	α-helix	trans	-74.9	-43.6	-177.3	-70	-29.5	0	0	0	112	L457 R462 Q463	L457-D459 VanDerWaalsContact C-N 3.3Å; L457-D459 PolarHBondContact O-N 3.25Å; D459-R462 WeakPolarHBondContact O-CB 3.37Å; D459-R462 PolarHBondContact O-N 3.46Å; D459-Q463 PolarHBondContact O-N 3.03Å
460	E	68.1	Low	70.4	Confident	50 Å²	50	65.9 Å²	65.9	23%	0.234	33%	0.334	C	S	.	.	H	α-helix	trans	-71	-36.5	176.5	-53.3	91.8	173	0	0	111.4	L426 L457 R462 Q463 V464	L426-E460 HydrophobicContact CD2-CB 3.74Å; L457-E460 VanDerWaalsContact CA-OE2 3.28Å; L457-E460 WeakPolarHBondContact CA-OE2 3.45Å; E460-R462 VanDerWaalsContact C-N 3.31Å; E460-R462 PolarHBondContact O-N 3.07Å; E460-Q463 WeakPolarHBondContact O-CB 3.47Å; E460-Q463 PolarHBondContact O-N 2.96Å; E460-Q463 VanDerWaalsContact O-N 3.16Å; E460-V464 WeakPolarHBondContact O-CG2 3.47Å; E460-V464 PolarHBondContact O-N 3.32Å
461	R	74.2	Confident	71	Confident	22 Å²	22	65.9 Å²	65.9	8%	0.083	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-44.3	172	-75.4	169.6	-179.4	-174.6	-4.5	111.1	L449 L450 D452 T454 L457 Q463 V464 T465	L449-R461 PolarHBondContact O-NE 2.92Å; L449-R461 PolarHBondContact O-NH2 3.45Å; L450-R461 HydrophobicContact CD2-CB 4.47Å; L450-R461 HydrophobicContact CD2-CG 4.06Å; D452-R461 PolarHBondContact O-NH1 3.37Å; D452-R461 PolarHBondContact O-NH2 3.06Å; T454-R461 PolarHBondContact O-NH1 3.3Å; L457-R461 HydrophobicContact CB-CG 4.17Å; L457-R461 WeakPolarHBondContact O-CB 3.13Å; L457-R461 VanDerWaalsContact O-CD 3.29Å; L457-R461 WeakPolarHBondContact O-CD 3.47Å; L457-R461 WeakPolarHBondContact O-CG 3.38Å; L457-R461 PolarHBondContact O-N 3.38Å; R461-Q463 VanDerWaalsContact C-N 3.35Å; R461-V464 PolarHBondContact O-N 3.15Å; R461-T465 WeakPolarHBondContact O-CB 3.48Å; R461-T465 VanDerWaalsContact O-CG2 3.29Å; R461-T465 WeakPolarHBondContact O-CG2 3.26Å; R461-T465 PolarHBondContact O-N 3.4Å; R461-T465 PolarHBondContact O-OG1 2.96Å
462	R	71.1	Confident	71.6	Confident	122 Å²	122	66.3 Å²	66.3	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-56.9	-51.9	173.5	-77.1	172.1	-156.6	-140.5	10	109.5	E458 D459 E460 V464 T465 H466	E458-R462 WeakPolarHBondContact O-CB 3.38Å; E458-R462 WeakPolarHBondContact O-CG 3.49Å; E458-R462 PolarHBondContact O-N 3.29Å; E458-R462 IonicContact OE2-NH2 3.98Å; E458-R462 PolarHBondContact OE2-NH2 3.15Å; D459-R462 WeakPolarHBondContact O-CB 3.37Å; D459-R462 PolarHBondContact O-N 3.46Å; E460-R462 VanDerWaalsContact C-N 3.31Å; E460-R462 PolarHBondContact O-N 3.07Å; R462-V464 VanDerWaalsContact C-N 3.28Å; R462-V464 PolarHBondContact O-N 3.07Å; R462-T465 WeakPolarHBondContact CA-OG1 3.32Å; R462-T465 CarbonylContact O-C 3.54Å; R462-T465 PolarHBondContact O-N 3.02Å; R462-T465 PolarHBondContact O-OG1 3.28Å; R462-H466 PolarHBondContact O-CD2 3.5Å; R462-H466 PolarHBondContact O-N 3.06Å
463	Q	76.4	Confident	72.1	Confident	137 Å²	137	63.2 Å²	63.2	64%	0.64	32%	0.315	S	S	*	.	H	α-helix	trans	-54.5	-42.5	179	-170.1	175.1	15.4	0	0	113	D459 E460 R461 S467	D459-Q463 PolarHBondContact O-N 3.03Å; E460-Q463 WeakPolarHBondContact O-CB 3.47Å; E460-Q463 PolarHBondContact O-N 2.96Å; E460-Q463 VanDerWaalsContact O-N 3.16Å; R461-Q463 VanDerWaalsContact C-N 3.35Å; Q463-S467 PolarHBondContact O-N 3.14Å
464	V	74.9	Confident	73.5	Confident	15 Å²	15	55.9 Å²	55.9	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-69.6	-42.8	176.1	177.1	0	0	0	0	111.8	L426 V430 L450 E460 R461 R462 H466 S467 T470 F498	L426-V464 HydrophobicContact CD2-CG2 3.82Å; L426-V464 HydrophobicContact CG-CG2 4.02Å; V430-V464 HydrophobicContact CG2-CB 4.41Å; V430-V464 HydrophobicContact CG2-CG1 3.64Å; V430-V464 HydrophobicContact CG2-CG2 3.79Å; L450-V464 HydrophobicContact CD1-CG1 4.48Å; L450-V464 HydrophobicContact CD2-CB 4.38Å; L450-V464 HydrophobicContact CD2-CG1 4.16Å; E460-V464 WeakPolarHBondContact O-CG2 3.47Å; E460-V464 PolarHBondContact O-N 3.32Å; R461-V464 PolarHBondContact O-N 3.15Å; R462-V464 VanDerWaalsContact C-N 3.28Å; R462-V464 PolarHBondContact O-N 3.07Å; V464-H466 VanDerWaalsContact C-N 3.26Å; V464-H466 PolarHBondContact O-N 3.36Å; V464-S467 WeakPolarHBondContact O-CB 3.4Å; V464-S467 PolarHBondContact O-N 3.43Å; V464-S467 VanDerWaalsContact O-N 3.12Å; V464-T470 HydrophobicContact CG1-CG2 3.99Å; V464-F498 HydrophobicContact CG1-CZ 4.44Å; V464-F498 WeakPolarHBondContact O-CZ 3.26Å
465	T	76.6	Confident	74.9	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-67.2	-24.2	178.1	56.5	0	0	0	0	113.3	R461 R462 F498 N501 L507	R461-T465 WeakPolarHBondContact O-CB 3.48Å; R461-T465 VanDerWaalsContact O-CG2 3.29Å; R461-T465 WeakPolarHBondContact O-CG2 3.26Å; R461-T465 PolarHBondContact O-N 3.4Å; R461-T465 PolarHBondContact O-OG1 2.96Å; R462-T465 WeakPolarHBondContact CA-OG1 3.32Å; R462-T465 CarbonylContact O-C 3.54Å; R462-T465 PolarHBondContact O-N 3.02Å; R462-T465 PolarHBondContact O-OG1 3.28Å; T465-F498 HydrophobicContact CG2-CD2 3.81Å; T465-F498 HydrophobicContact CG2-CE2 4Å; T465-F498 HydrophobicContact CG2-CG 4.19Å; T465-F498 WeakPolarHBondContact O-CD1 3.22Å; T465-F498 WeakPolarHBondContact O-CE1 3.4Å; T465-N501 PolarHBondContact OG1-ND2 2.99Å; T465-L507 WeakPolarHBondContact O-CD1 3.49Å
466	H	79.9	Confident	76.3	Confident	53 Å²	53	55.9 Å²	55.9	25%	0.245	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.5	174	-68.1	-74	0	0	0	113.3	R462 V464 R468 E503	R462-H466 PolarHBondContact O-CD2 3.5Å; R462-H466 PolarHBondContact O-N 3.06Å; V464-H466 VanDerWaalsContact C-N 3.26Å; V464-H466 PolarHBondContact O-N 3.36Å; H466-R468 PolarHBondContact O-N 2.91Å; H466-E503 VanDerWaalsContact CE1-CD 3.42Å; H466-E503 IonicContact CE1-OE1 3.97Å; H466-E503 IonicContact CE1-OE2 3.33Å; H466-E503 PolarHBondContact CE1-OE2 2.88Å; H466-E503 VanDerWaalsContact CE1-OE2 3.32Å; H466-E503 IonicContact ND1-OE2 3.27Å; H466-E503 PolarHBondContact ND1-OE2 3.43Å
467	S	81.6	Confident	77.4	Confident	36 Å²	36	53 Å²	53	25%	0.252	24%	0.243	S	C	.	.			trans	-76.8	113.5	-179.9	175.7	0	0	0	0	111.7	Q463 V464 D469 T470 Y471	Q463-S467 PolarHBondContact O-N 3.14Å; V464-S467 WeakPolarHBondContact O-CB 3.4Å; V464-S467 PolarHBondContact O-N 3.43Å; V464-S467 VanDerWaalsContact O-N 3.12Å; S467-D469 VanDerWaalsContact C-N 3.34Å; S467-D469 PolarHBondContact O-N 3Å; S467-T470 WeakPolarHBondContact CB-OG1 3.48Å; S467-T470 PolarHBondContact O-N 2.99Å; S467-T470 PolarHBondContact OG-N 3.47Å; S467-T470 PolarHBondContact OG-OG1 3.47Å; S467-Y471 PolarHBondContact O-N 2.87Å
468	R	81.9	Confident	78.6	Confident	141 Å²	141	52.9 Å²	52.9	53%	0.532	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-41.4	175.4	180	176.4	176	176.8	2.7	112.7	H466 Y471 Q472 L507 P508	H466-R468 PolarHBondContact O-N 2.91Å; R468-Y471 PolarHBondContact O-N 3.03Å; R468-Q472 WeakPolarHBondContact O-CG 3.48Å; R468-Q472 PolarHBondContact O-N 3.43Å; R468-L507 HydrophobicContact CB-CD2 4.43Å; R468-P508 HydrophobicContact CG-CG 4.48Å
469	D	80.1	Confident	79.3	Confident	82 Å²	82	51.8 Å²	51.8	44%	0.439	24%	0.237	S	C	.	.	H	α-helix	trans	-60.2	-49.4	-179.9	-77.2	3.8	0	0	0	110.8	K434 S467 Y471 Q472 D473	K434-D469 IonicContact NZ-OD2 3.57Å; K434-D469 PolarHBondContact NZ-OD2 3.47Å; S467-D469 VanDerWaalsContact C-N 3.34Å; S467-D469 PolarHBondContact O-N 3Å; D469-Y471 VanDerWaalsContact C-N 3.3Å; D469-Y471 PolarHBondContact O-N 3.48Å; D469-Q472 PolarHBondContact O-N 3.3Å; D469-D473 VanDerWaalsContact O-CG 3.27Å; D469-D473 PolarHBondContact O-N 3.02Å
470	T	81.2	Confident	80	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-40.9	-178.5	-50.7	0	0	0	0	111.2	V430 L433 V464 S467 D473 L474 F498	V430-T470 HydrophobicContact CG1-CG2 4.17Å; V430-T470 VanDerWaalsContact CG1-OG1 3.29Å; V430-T470 WeakPolarHBondContact CG1-OG1 3.48Å; V430-T470 HydrophobicContact CG2-CG2 4.37Å; L433-T470 HydrophobicContact CD1-CG2 3.86Å; V464-T470 HydrophobicContact CG1-CG2 3.99Å; S467-T470 WeakPolarHBondContact CB-OG1 3.48Å; S467-T470 PolarHBondContact O-N 2.99Å; S467-T470 PolarHBondContact OG-N 3.47Å; S467-T470 PolarHBondContact OG-OG1 3.47Å; T470-D473 PolarHBondContact O-N 3.16Å; T470-L474 HydrophobicContact CG2-CD1 4.42Å; T470-L474 VanDerWaalsContact O-CG 3.29Å; T470-L474 WeakPolarHBondContact O-CG 3.34Å; T470-L474 PolarHBondContact O-N 3.33Å; T470-F498 HydrophobicContact CG2-CZ 4.19Å
471	Y	84.5	Confident	80.5	Confident	0 Å²	0	51 Å²	51	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-47.5	175.3	-178.4	-92.3	0	0	0	112.1	S467 R468 D469 D473 L474 V475 L495 F498 L507 P508 W509 S512	S467-Y471 PolarHBondContact O-N 2.87Å; R468-Y471 PolarHBondContact O-N 3.03Å; D469-Y471 VanDerWaalsContact C-N 3.3Å; D469-Y471 PolarHBondContact O-N 3.48Å; Y471-D473 PolarHBondContact O-N 3.31Å; Y471-L474 PolarHBondContact O-N 3.1Å; Y471-V475 HydrophobicContact CD1-CG2 4.28Å; Y471-V475 HydrophobicContact CE1-CG2 3.89Å; Y471-V475 WeakPolarHBondContact O-CG2 3.26Å; Y471-V475 PolarHBondContact O-N 3.26Å; Y471-L495 HydrophobicContact CD2-CD2 3.89Å; Y471-L495 HydrophobicContact CE2-CD2 3.62Å; Y471-F498 AromaticContact CD2-CD1 3.86Å; Y471-F498 HydrophobicContact CD2-CD1 3.86Å; Y471-F498 HydrophobicContact CD2-CE1 4.28Å; Y471-L507 HydrophobicContact CD2-CD1 4.23Å; Y471-L507 HydrophobicContact CG-CD2 4.34Å; Y471-P508 HydrophobicContact CD1-CG 3.86Å; Y471-P508 HydrophobicContact CE1-CG 4Å; Y471-P508 WeakPolarHBondContact CE1-O 3.47Å; Y471-W509 AromaticContact CE2-CE3 3.74Å; Y471-W509 HydrophobicContact CE2-CE3 3.74Å; Y471-W509 HydrophobicContact CE2-CH2 4.37Å; Y471-W509 AromaticContact CE2-CZ3 3.62Å; Y471-W509 HydrophobicContact CE2-CZ3 3.62Å; Y471-W509 AromaticContact CZ-CE3 3.87Å; Y471-W509 WeakPolarHBondContact OH-CA 3.38Å; Y471-W509 PolarHBondContact OH-O 2.92Å; Y471-S512 WeakPolarHBondContact OH-CB 3.38Å; Y471-S512 PolarHBondContact OH-OG 2.93Å; Y471-S512 VanDerWaalsContact OH-OG 3.08Å
472	Q	84.7	Confident	80.7	Confident	49 Å²	49	54.8 Å²	54.8	23%	0.229	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-37.4	179.1	-72.9	-172.5	-30.1	0	0	112.5	R468 D469 V475 R476 P508 E511	R468-Q472 WeakPolarHBondContact O-CG 3.48Å; R468-Q472 PolarHBondContact O-N 3.43Å; D469-Q472 PolarHBondContact O-N 3.3Å; Q472-V475 PolarHBondContact O-N 2.85Å; Q472-R476 WeakPolarHBondContact O-CB 3.45Å; Q472-R476 PolarHBondContact O-N 3.42Å; Q472-P508 HydrophobicContact CG-CG 4.13Å; Q472-E511 PolarHBondContact NE2-OE2 3.47Å
473	D	83	Confident	80.9	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.064	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-42	175.5	-68.2	-29.2	0	0	0	111.1	L433 K434 D469 T470 Y471 R476 L477	L433-D473 HydrophobicContact CB-CB 4.28Å; K434-D473 VanDerWaalsContact CG-OD2 3.28Å; K434-D473 WeakPolarHBondContact CG-OD2 3.36Å; D469-D473 VanDerWaalsContact O-CG 3.27Å; D469-D473 PolarHBondContact O-N 3.02Å; T470-D473 PolarHBondContact O-N 3.16Å; Y471-D473 PolarHBondContact O-N 3.31Å; D473-R476 PolarHBondContact O-N 3.47Å; D473-R476 IonicContact OD1-CZ 3.58Å; D473-R476 IonicContact OD1-NH1 3.8Å; D473-R476 PolarHBondContact OD1-NH1 3.02Å; D473-R476 IonicContact OD1-NH2 2.72Å; D473-L477 WeakPolarHBondContact O-CB 3.31Å; D473-L477 VanDerWaalsContact O-CG 3.26Å; D473-L477 WeakPolarHBondContact O-CG 3.31Å; D473-L477 PolarHBondContact O-N 3.46Å
474	L	85.3	Confident	81.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-43.2	174.5	-72.5	169.7	0	0	0	112.6	L433 L446 T470 Y471 R476 L477 M478 I491 I494 F498	L433-L474 HydrophobicContact CD1-CD2 4.3Å; L433-L474 HydrophobicContact CD1-CG 4.43Å; L446-L474 HydrophobicContact CD2-CD2 4.35Å; T470-L474 HydrophobicContact CG2-CD1 4.42Å; T470-L474 VanDerWaalsContact O-CG 3.29Å; T470-L474 WeakPolarHBondContact O-CG 3.34Å; T470-L474 PolarHBondContact O-N 3.33Å; Y471-L474 PolarHBondContact O-N 3.1Å; L474-R476 VanDerWaalsContact C-N 3.32Å; L474-R476 PolarHBondContact O-N 3.48Å; L474-L477 PolarHBondContact O-N 3.15Å; L474-M478 PolarHBondContact O-N 3.49Å; L474-I491 HydrophobicContact CB-CG2 4.49Å; L474-I494 HydrophobicContact CD1-CG2 3.55Å; L474-I494 HydrophobicContact CD2-CD1 4.34Å; L474-F498 HydrophobicContact CD1-CE2 4.11Å; L474-F498 HydrophobicContact CD1-CZ 4.05Å
475	V	85.4	Confident	81.6	Confident	13 Å²	13	53.2 Å²	53.2	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-39.8	175.9	175	0	0	0	0	110.9	Y471 Q472 M478 E479 P515	Y471-V475 HydrophobicContact CD1-CG2 4.28Å; Y471-V475 HydrophobicContact CE1-CG2 3.89Å; Y471-V475 WeakPolarHBondContact O-CG2 3.26Å; Y471-V475 PolarHBondContact O-N 3.26Å; Q472-V475 PolarHBondContact O-N 2.85Å; V475-M478 WeakPolarHBondContact O-CB 3.31Å; V475-M478 PolarHBondContact O-N 2.93Å; V475-E479 PolarHBondContact O-N 2.71Å; V475-P515 HydrophobicContact CG1-CB 4.31Å; V475-P515 HydrophobicContact CG1-CG 3.86Å
476	R	84	Confident	81.8	Confident	144 Å²	144	54.3 Å²	54.3	54%	0.543	26%	0.263	S	S	.	.	H	α-helix	trans	-66	-41	175.9	-164.2	-172.2	-60.7	117.9	4.4	112.1	Q472 D473 L474 M478 E479 Q480	Q472-R476 WeakPolarHBondContact O-CB 3.45Å; Q472-R476 PolarHBondContact O-N 3.42Å; D473-R476 PolarHBondContact O-N 3.47Å; D473-R476 IonicContact OD1-CZ 3.58Å; D473-R476 IonicContact OD1-NH1 3.8Å; D473-R476 PolarHBondContact OD1-NH1 3.02Å; D473-R476 IonicContact OD1-NH2 2.72Å; L474-R476 VanDerWaalsContact C-N 3.32Å; L474-R476 PolarHBondContact O-N 3.48Å; R476-M478 VanDerWaalsContact C-N 3.32Å; R476-M478 PolarHBondContact O-N 2.9Å; R476-E479 WeakPolarHBondContact O-CB 3.49Å; R476-E479 PolarHBondContact O-N 2.96Å; R476-Q480 PolarHBondContact O-N 3.08Å
477	L	81.8	Confident	82	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-34.2	176.9	-71.4	169.7	0	0	0	112.2	L433 V438 I443 D473 L474 E479 Q480 H481 I491	L433-L477 HydrophobicContact CD2-CD1 3.7Å; V438-L477 HydrophobicContact CB-CD1 4.34Å; V438-L477 HydrophobicContact CB-CD2 3.91Å; V438-L477 HydrophobicContact CG1-CD1 4.36Å; V438-L477 HydrophobicContact CG2-CD1 4.02Å; V438-L477 HydrophobicContact CG2-CD2 3.75Å; I443-L477 HydrophobicContact CD1-CD1 4.37Å; D473-L477 WeakPolarHBondContact O-CB 3.31Å; D473-L477 VanDerWaalsContact O-CG 3.26Å; D473-L477 WeakPolarHBondContact O-CG 3.31Å; D473-L477 PolarHBondContact O-N 3.46Å; L474-L477 PolarHBondContact O-N 3.15Å; L477-E479 VanDerWaalsContact C-N 3.26Å; L477-E479 PolarHBondContact O-N 2.74Å; L477-Q480 PolarHBondContact O-N 3.14Å; L477-H481 PolarHBondContact O-N 3.18Å; L477-I491 HydrophobicContact CB-CD1 4.1Å
478	M	83	Confident	82.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-40.8	173.9	-160.3	173.3	55.1	0	0	111.2	L474 V475 R476 Q488 I491 L495 P515 F533	L474-M478 PolarHBondContact O-N 3.49Å; V475-M478 WeakPolarHBondContact O-CB 3.31Å; V475-M478 PolarHBondContact O-N 2.93Å; R476-M478 VanDerWaalsContact C-N 3.32Å; R476-M478 PolarHBondContact O-N 2.9Å; M478-Q488 PolarHBondContact O-NE2 3.11Å; M478-I491 HydrophobicContact CB-CD1 4.19Å; M478-I491 HydrophobicContact CB-CG2 4.16Å; M478-I491 HydrophobicContact CG-CG2 4.25Å; M478-I491 HydrophobicContact SD-CG2 4.25Å; M478-L495 HydrophobicContact SD-CD1 4.26Å; M478-P515 HydrophobicContact CE-CB 3.32Å; M478-F533 HydrophobicContact SD-CE1 4.07Å; M478-F533 HydrophobicContact SD-CZ 4.36Å
479	E	80.8	Confident	82.4	Confident	75 Å²	75	43.9 Å²	43.9	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-70.7	-41.6	176.7	-174.2	70.5	-173.4	0	0	112.3	V475 R476 L477 R482	V475-E479 PolarHBondContact O-N 2.71Å; R476-E479 WeakPolarHBondContact O-CB 3.49Å; R476-E479 PolarHBondContact O-N 2.96Å; L477-E479 VanDerWaalsContact C-N 3.26Å; L477-E479 PolarHBondContact O-N 2.74Å; E479-R482 VanDerWaalsContact O-CD 3.26Å; E479-R482 WeakPolarHBondContact O-CD 3.28Å; E479-R482 WeakPolarHBondContact O-CG 3.4Å; E479-R482 IonicContact OE1-CZ 2.83Å; E479-R482 IonicContact OE1-NE 3.8Å; E479-R482 PolarHBondContact OE1-NE 2.93Å; E479-R482 IonicContact OE1-NH1 2.69Å; E479-R482 PolarHBondContact OE1-NH1 3.37Å; E479-R482 VanDerWaalsContact OE1-NH1 3.11Å; E479-R482 IonicContact OE1-NH2 2.97Å; E479-R482 PolarHBondContact OE1-NH2 3.35Å; E479-R482 IonicContact OE2-CZ 4Å; E479-R482 IonicContact OE2-NE 2.94Å; E479-R482 PolarHBondContact OE2-NE 3.28Å; E479-R482 IonicContact OE2-NH2 2.64Å; E479-R482 PolarHBondContact OE2-NH2 3.2Å
480	Q	82.1	Confident	82.6	Confident	106 Å²	106	40.1 Å²	40.1	50%	0.495	20%	0.197	S	C	.	.	H	α-helix	trans	-67.5	-38.2	180	-174.1	174	-6.1	0	0	112.6	L436 R476 L477	L436-Q480 PolarHBondContact O-NE2 3.31Å; R476-Q480 PolarHBondContact O-N 3.08Å; L477-Q480 PolarHBondContact O-N 3.14Å
481	H	79	Confident	82.9	Confident	53 Å²	53	40 Å²	40	25%	0.245	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	35.3	-176.3	-68	-80.3	0	0	0	113.6	L477 A483 D484 V487 Q488	L477-H481 PolarHBondContact O-N 3.18Å; H481-A483 PolarHBondContact O-N 3.4Å; H481-D484 PolarHBondContact O-N 3.37Å; H481-D484 VanDerWaalsContact O-N 3.14Å; H481-V487 HydrophobicContact CB-CB 4.34Å; H481-V487 HydrophobicContact CB-CG1 3.79Å; H481-Q488 PolarHBondContact O-NE2 2.84Å
482	R	76.6	Confident	83	Confident	100 Å²	100	40 Å²	40	38%	0.377	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-12.6	-179	-86.8	169.4	166.8	-171.7	-6.9	116.7	E479 S518 F523	E479-R482 VanDerWaalsContact O-CD 3.26Å; E479-R482 WeakPolarHBondContact O-CD 3.28Å; E479-R482 WeakPolarHBondContact O-CG 3.4Å; E479-R482 IonicContact OE1-CZ 2.83Å; E479-R482 IonicContact OE1-NE 3.8Å; E479-R482 PolarHBondContact OE1-NE 2.93Å; E479-R482 IonicContact OE1-NH1 2.69Å; E479-R482 PolarHBondContact OE1-NH1 3.37Å; E479-R482 VanDerWaalsContact OE1-NH1 3.11Å; E479-R482 IonicContact OE1-NH2 2.97Å; E479-R482 PolarHBondContact OE1-NH2 3.35Å; E479-R482 IonicContact OE2-CZ 4Å; E479-R482 IonicContact OE2-NE 2.94Å; E479-R482 PolarHBondContact OE2-NE 3.28Å; E479-R482 IonicContact OE2-NH2 2.64Å; E479-R482 PolarHBondContact OE2-NH2 3.2Å; R482-S518 VanDerWaalsContact NH2-CB 3.32Å; R482-S518 PolarHBondContact NH2-OG 2.89Å; R482-F523 WeakPolarHBondContact O-CE2 3.25Å; R482-F523 WeakPolarHBondContact O-CZ 3.41Å
483	A	75.9	Confident	83.1	Confident	96 Å²	96	42.6 Å²	42.6	79%	0.793	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-14.4	-179.2	0	0	0	0	0	114.3	H481	H481-A483 PolarHBondContact O-N 3.4Å
484	D	81.2	Confident	83.3	Confident	49 Å²	49	42 Å²	42	26%	0.262	20%	0.201	S	C	.	.			trans	-94.6	104.3	-178.5	-171	-24.5	0	0	0	111.3	K440 H481 A486 V487 Q488	K440-D484 IonicContact NZ-OD1 2.75Å; K440-D484 PolarHBondContact NZ-OD1 2.88Å; K440-D484 IonicContact NZ-OD2 3.62Å; K440-D484 PolarHBondContact NZ-OD2 3.27Å; H481-D484 PolarHBondContact O-N 3.37Å; H481-D484 VanDerWaalsContact O-N 3.14Å; D484-A486 VanDerWaalsContact C-N 3.29Å; D484-A486 PolarHBondContact O-N 3.41Å; D484-A486 PolarHBondContact OD1-N 3.25Å; D484-V487 HydrophobicContact CB-CB 4.11Å; D484-V487 HydrophobicContact CB-CG2 4.01Å; D484-V487 PolarHBondContact O-N 3.31Å; D484-V487 PolarHBondContact OD1-N 2.82Å; D484-Q488 WeakPolarHBondContact O-CG 3.44Å; D484-Q488 PolarHBondContact O-N 3.49Å; D484-Q488 VanDerWaalsContact O-N 3.11Å
485	R	84.8	Confident	83.3	Confident	97 Å²	97	42 Å²	42	37%	0.366	20%	0.201	S	C	.	.	H	α-helix	trans	-47.3	-47.4	176.9	-178	-168	-173.2	-96.6	-7.3	113.4	Q488 L489 F523 D526 E528 V529	R485-Q488 PolarHBondContact O-N 3.39Å; R485-L489 HydrophobicContact CG-CD1 4.2Å; R485-L489 WeakPolarHBondContact O-CG 3.18Å; R485-L489 PolarHBondContact O-N 2.91Å; R485-L489 VanDerWaalsContact O-N 3.09Å; R485-F523 HydrophobicContact CB-CE1 4.1Å; R485-D526 VanDerWaalsContact CD-OD2 3.26Å; R485-D526 WeakPolarHBondContact CD-OD2 3.36Å; R485-D526 IonicContact CZ-OD2 2.82Å; R485-D526 IonicContact NE-OD1 3.61Å; R485-D526 IonicContact NE-OD2 3.55Å; R485-D526 PolarHBondContact NE-OD2 3.22Å; R485-D526 IonicContact NH2-OD1 3.57Å; R485-D526 IonicContact NH2-OD2 2.88Å; R485-E528 IonicContact CZ-OE2 2.73Å; R485-E528 IonicContact NH2-OE2 3.53Å; R485-E528 PolarHBondContact NH2-OE2 2.97Å; R485-V529 HydrophobicContact CG-CG2 3.99Å
486	A	81.2	Confident	83.4	Confident	26 Å²	26	42.6 Å²	42.6	22%	0.215	20%	0.204	C	C	.	.	H	α-helix	trans	-72.7	-36.7	-171.7	0	0	0	0	0	111.5	K440 D484 L489 S490	K440-A486 VanDerWaalsContact CE-CB 3.45Å; D484-A486 VanDerWaalsContact C-N 3.29Å; D484-A486 PolarHBondContact O-N 3.41Å; D484-A486 PolarHBondContact OD1-N 3.25Å; A486-L489 PolarHBondContact O-N 3.14Å; A486-S490 PolarHBondContact O-N 3.05Å; A486-S490 PolarHBondContact O-OG 3.3Å; A486-S490 VanDerWaalsContact O-OG 3.12Å
487	V	83.4	Confident	83.4	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-43.5	174.9	174.1	0	0	0	0	110.5	K440 I443 H481 D484 L489 S490 I491	K440-V487 HydrophobicContact CB-CG2 4.09Å; K440-V487 HydrophobicContact CD-CG2 4.36Å; K440-V487 HydrophobicContact CG-CG2 3.81Å; I443-V487 HydrophobicContact CD1-CG1 3.63Å; H481-V487 HydrophobicContact CB-CB 4.34Å; H481-V487 HydrophobicContact CB-CG1 3.79Å; D484-V487 HydrophobicContact CB-CB 4.11Å; D484-V487 HydrophobicContact CB-CG2 4.01Å; D484-V487 PolarHBondContact O-N 3.31Å; D484-V487 PolarHBondContact OD1-N 2.82Å; V487-L489 VanDerWaalsContact C-N 3.35Å; V487-L489 PolarHBondContact O-N 2.76Å; V487-S490 PolarHBondContact O-N 3.3Å; V487-I491 HydrophobicContact CG1-CD1 3.66Å; V487-I491 HydrophobicContact CG1-CG1 4.25Å; V487-I491 WeakPolarHBondContact O-CG1 3.27Å; V487-I491 PolarHBondContact O-N 3.44Å
488	Q	86.1	Confident	83.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-42.4	177.6	-65.3	-59.9	-33.1	0	0	112.4	M478 H481 D484 R485 L492 T519 F523	M478-Q488 PolarHBondContact O-NE2 3.11Å; H481-Q488 PolarHBondContact O-NE2 2.84Å; D484-Q488 WeakPolarHBondContact O-CG 3.44Å; D484-Q488 PolarHBondContact O-N 3.49Å; D484-Q488 VanDerWaalsContact O-N 3.11Å; R485-Q488 PolarHBondContact O-N 3.39Å; Q488-L492 WeakPolarHBondContact O-CB 3.46Å; Q488-L492 PolarHBondContact O-N 3.36Å; Q488-T519 HydrophobicContact CG-CG2 3.97Å; Q488-F523 HydrophobicContact CG-CE2 3.78Å; Q488-F523 HydrophobicContact CG-CZ 4.21Å
489	L	86.3	Confident	83.5	Confident	9 Å²	9	38 Å²	38	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-45	175.9	-70.1	172.5	0	0	0	111.8	R485 A486 V487 L492 R493 V529 L532	R485-L489 HydrophobicContact CG-CD1 4.2Å; R485-L489 WeakPolarHBondContact O-CG 3.18Å; R485-L489 PolarHBondContact O-N 2.91Å; R485-L489 VanDerWaalsContact O-N 3.09Å; A486-L489 PolarHBondContact O-N 3.14Å; V487-L489 VanDerWaalsContact C-N 3.35Å; V487-L489 PolarHBondContact O-N 2.76Å; L489-L492 PolarHBondContact O-N 2.99Å; L489-R493 VanDerWaalsContact O-CG 3.28Å; L489-R493 WeakPolarHBondContact O-CG 3.34Å; L489-R493 PolarHBondContact O-N 3.44Å; L489-V529 HydrophobicContact CD2-CG2 3.86Å; L489-V529 HydrophobicContact CG-CG2 4.12Å; L489-L532 HydrophobicContact CD2-CD1 3.4Å
490	S	84.7	Confident	83.5	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-49.2	178.7	-64.2	0	0	0	0	112.2	E447 A486 V487 L492 R493 I494	E447-S490 VanDerWaalsContact OE2-CA 3.25Å; E447-S490 WeakPolarHBondContact OE2-CA 3.26Å; E447-S490 WeakPolarHBondContact OE2-CB 3.43Å; E447-S490 PolarHBondContact OE2-OG 2.94Å; A486-S490 PolarHBondContact O-N 3.05Å; A486-S490 PolarHBondContact O-OG 3.3Å; A486-S490 VanDerWaalsContact O-OG 3.12Å; V487-S490 PolarHBondContact O-N 3.3Å; S490-L492 VanDerWaalsContact C-N 3.31Å; S490-L492 PolarHBondContact O-N 3.01Å; S490-R493 PolarHBondContact O-N 3.19Å; S490-I494 VanDerWaalsContact O-CG1 3.31Å; S490-I494 WeakPolarHBondContact O-CG1 3.37Å; S490-I494 PolarHBondContact O-N 3.13Å
491	I	87.4	Confident	83.1	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59	-45.1	178	-66.9	171.8	0	0	0	110.5	I443 L474 L477 M478 V487 R493 I494 L495	I443-I491 HydrophobicContact CD1-CD1 4.42Å; I443-I491 HydrophobicContact CG2-CG1 3.78Å; L474-I491 HydrophobicContact CB-CG2 4.49Å; L477-I491 HydrophobicContact CB-CD1 4.1Å; M478-I491 HydrophobicContact CB-CD1 4.19Å; M478-I491 HydrophobicContact CB-CG2 4.16Å; M478-I491 HydrophobicContact CG-CG2 4.25Å; M478-I491 HydrophobicContact SD-CG2 4.25Å; V487-I491 HydrophobicContact CG1-CD1 3.66Å; V487-I491 HydrophobicContact CG1-CG1 4.25Å; V487-I491 WeakPolarHBondContact O-CG1 3.27Å; V487-I491 PolarHBondContact O-N 3.44Å; I491-R493 VanDerWaalsContact C-N 3.33Å; I491-R493 PolarHBondContact O-N 2.92Å; I491-I494 WeakPolarHBondContact O-CB 3.47Å; I491-I494 PolarHBondContact O-N 3.24Å; I491-L495 HydrophobicContact CG2-CD1 3.96Å; I491-L495 HydrophobicContact CG2-CG 4.22Å; I491-L495 WeakPolarHBondContact O-CG 3.39Å; I491-L495 PolarHBondContact O-N 3.05Å
492	L	86.3	Confident	82.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-32.5	-177.5	-168.2	65.6	0	0	0	112.8	Q488 L489 S490 N496 L532 F533 F536	Q488-L492 WeakPolarHBondContact O-CB 3.46Å; Q488-L492 PolarHBondContact O-N 3.36Å; L489-L492 PolarHBondContact O-N 2.99Å; S490-L492 VanDerWaalsContact C-N 3.31Å; S490-L492 PolarHBondContact O-N 3.01Å; L492-N496 WeakPolarHBondContact O-CB 3.44Å; L492-N496 PolarHBondContact O-N 3.45Å; L492-N496 PolarHBondContact O-ND2 3.28Å; L492-L532 HydrophobicContact CD2-CB 3.31Å; L492-L532 HydrophobicContact CG-CB 4.24Å; L492-F533 HydrophobicContact CD1-CD1 3.59Å; L492-F533 HydrophobicContact CD1-CE1 3.6Å; L492-F533 HydrophobicContact CD1-CG 4.41Å; L492-F533 HydrophobicContact CD1-CZ 4.43Å; L492-F533 HydrophobicContact CD2-CB 4.46Å; L492-F533 HydrophobicContact CD2-CD1 3.82Å; L492-F533 HydrophobicContact CD2-CD2 4.08Å; L492-F533 HydrophobicContact CD2-CE1 3.97Å; L492-F533 HydrophobicContact CD2-CE2 4.22Å; L492-F533 HydrophobicContact CD2-CG 3.85Å; L492-F533 HydrophobicContact CD2-CZ 4.16Å; L492-F533 HydrophobicContact CG-CD1 4.38Å; L492-F533 HydrophobicContact CG-CE1 4.36Å; L492-F536 HydrophobicContact CD1-CB 3.96Å; L492-F536 HydrophobicContact CD1-CD1 4.22Å; L492-F536 HydrophobicContact CD1-CD2 4.47Å; L492-F536 HydrophobicContact CD1-CG 3.97Å
493	R	87.2	Confident	82.7	Confident	104 Å²	104	35.4 Å²	35.4	39%	0.392	18%	0.183	S	C	.	.	H	α-helix	trans	-67.4	-42.7	171.6	-73.3	168.8	-173.6	163.7	3.1	111.4	E447 L489 S490 I491 N496 K497	E447-R493 HydrophobicContact CG-CB 4.21Å; E447-R493 WeakPolarHBondContact OE1-CD 3.35Å; E447-R493 IonicContact OE1-CZ 3.07Å; E447-R493 IonicContact OE1-NE 3.96Å; E447-R493 IonicContact OE1-NH1 2.72Å; E447-R493 PolarHBondContact OE1-NH1 3.15Å; E447-R493 IonicContact OE2-NH1 2.72Å; L489-R493 VanDerWaalsContact O-CG 3.28Å; L489-R493 WeakPolarHBondContact O-CG 3.34Å; L489-R493 PolarHBondContact O-N 3.44Å; S490-R493 PolarHBondContact O-N 3.19Å; I491-R493 VanDerWaalsContact C-N 3.33Å; I491-R493 PolarHBondContact O-N 2.92Å; R493-N496 WeakPolarHBondContact O-CB 3.49Å; R493-N496 PolarHBondContact O-N 3.29Å; R493-K497 PolarHBondContact O-N 3.15Å
494	I	86.3	Confident	82.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-49.4	173.1	-64.4	163.3	0	0	0	110.3	I443 L446 E447 L450 L474 S490 I491 N496 K497 F498	I443-I494 HydrophobicContact CG2-CD1 4.39Å; L446-I494 HydrophobicContact CB-CD1 4.39Å; L446-I494 HydrophobicContact CD2-CD1 4.11Å; L446-I494 HydrophobicContact CG-CD1 4.16Å; E447-I494 HydrophobicContact CB-CD1 4.05Å; E447-I494 HydrophobicContact CB-CG1 3.98Å; E447-I494 HydrophobicContact CG-CG1 4.37Å; L450-I494 HydrophobicContact CD1-CG1 4.38Å; L450-I494 HydrophobicContact CD1-CG2 3.64Å; L474-I494 HydrophobicContact CD1-CG2 3.55Å; L474-I494 HydrophobicContact CD2-CD1 4.34Å; S490-I494 VanDerWaalsContact O-CG1 3.31Å; S490-I494 WeakPolarHBondContact O-CG1 3.37Å; S490-I494 PolarHBondContact O-N 3.13Å; I491-I494 WeakPolarHBondContact O-CB 3.47Å; I491-I494 PolarHBondContact O-N 3.24Å; I494-N496 VanDerWaalsContact C-N 3.28Å; I494-N496 PolarHBondContact O-N 3Å; I494-K497 WeakPolarHBondContact O-CA 3.47Å; I494-K497 VanDerWaalsContact O-CB 3.29Å; I494-K497 WeakPolarHBondContact O-CB 3.41Å; I494-K497 PolarHBondContact O-N 2.69Å; I494-F498 HydrophobicContact CG2-CD2 3.87Å; I494-F498 HydrophobicContact CG2-CE2 3.55Å; I494-F498 VanDerWaalsContact O-CD2 3.26Å; I494-F498 WeakPolarHBondContact O-CD2 3.15Å; I494-F498 PolarHBondContact O-N 3.31Å
495	L	86.8	Confident	81.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-35.8	178.1	-68.7	175.6	0	0	0	112.5	Y471 M478 I491 K497 F498 L499 F536	Y471-L495 HydrophobicContact CD2-CD2 3.89Å; Y471-L495 HydrophobicContact CE2-CD2 3.62Å; M478-L495 HydrophobicContact SD-CD1 4.26Å; I491-L495 HydrophobicContact CG2-CD1 3.96Å; I491-L495 HydrophobicContact CG2-CG 4.22Å; I491-L495 WeakPolarHBondContact O-CG 3.39Å; I491-L495 PolarHBondContact O-N 3.05Å; L495-K497 VanDerWaalsContact C-N 3.3Å; L495-K497 PolarHBondContact O-N 2.97Å; L495-F498 WeakPolarHBondContact O-CB 3.23Å; L495-F498 PolarHBondContact O-N 3.11Å; L495-L499 PolarHBondContact O-N 2.85Å; L495-L499 VanDerWaalsContact O-N 3.12Å; L495-F536 HydrophobicContact CB-CD2 4.31Å; L495-F536 HydrophobicContact CB-CE2 3.67Å; L495-F536 HydrophobicContact CB-CZ 4.09Å; L495-F536 HydrophobicContact CD1-CZ 4.42Å
496	N	85.6	Confident	81.2	Confident	24 Å²	24	42.2 Å²	42.2	13%	0.128	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-34.2	172	-83	-62.5	0	0	0	112.4	L492 R493 I494 L499 D500 R539	L492-N496 WeakPolarHBondContact O-CB 3.44Å; L492-N496 PolarHBondContact O-N 3.45Å; L492-N496 PolarHBondContact O-ND2 3.28Å; R493-N496 WeakPolarHBondContact O-CB 3.49Å; R493-N496 PolarHBondContact O-N 3.29Å; I494-N496 VanDerWaalsContact C-N 3.28Å; I494-N496 PolarHBondContact O-N 3Å; N496-L499 WeakPolarHBondContact O-CB 3.35Å; N496-L499 PolarHBondContact O-N 3.39Å; N496-D500 PolarHBondContact O-N 3.05Å; N496-R539 PolarHBondContact O-NH1 2.91Å; N496-R539 VanDerWaalsContact O-NH1 3.09Å
497	K	84.6	Confident	81.1	Confident	51 Å²	51	41.6 Å²	41.6	22%	0.222	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-38.4	173.8	-168.4	64.5	176.1	-179.7	0	111.9	L450 R493 I494 L495 L499 D500	L450-K497 WeakPolarHBondContact O-CE 3.36Å; R493-K497 PolarHBondContact O-N 3.15Å; I494-K497 WeakPolarHBondContact O-CA 3.47Å; I494-K497 VanDerWaalsContact O-CB 3.29Å; I494-K497 WeakPolarHBondContact O-CB 3.41Å; I494-K497 PolarHBondContact O-N 2.69Å; L495-K497 VanDerWaalsContact C-N 3.3Å; L495-K497 PolarHBondContact O-N 2.97Å; K497-L499 PolarHBondContact O-N 2.59Å; K497-D500 WeakPolarHBondContact CD-OD2 3.26Å; K497-D500 IonicContact NZ-OD2 3.4Å; K497-D500 WeakPolarHBondContact O-CB 3.42Å; K497-D500 PolarHBondContact O-N 3.2Å
498	F	83.8	Confident	81.1	Confident	1 Å²	1	42 Å²	42	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-36	171.7	-80.7	-124.7	0	0	0	110.9	L450 V464 T465 T470 Y471 L474 I494 L495 D500 N501 L507 W509	L450-F498 HydrophobicContact CD1-CE2 4.2Å; V464-F498 HydrophobicContact CG1-CZ 4.44Å; V464-F498 WeakPolarHBondContact O-CZ 3.26Å; T465-F498 HydrophobicContact CG2-CD2 3.81Å; T465-F498 HydrophobicContact CG2-CE2 4Å; T465-F498 HydrophobicContact CG2-CG 4.19Å; T465-F498 WeakPolarHBondContact O-CD1 3.22Å; T465-F498 WeakPolarHBondContact O-CE1 3.4Å; T470-F498 HydrophobicContact CG2-CZ 4.19Å; Y471-F498 AromaticContact CD2-CD1 3.86Å; Y471-F498 HydrophobicContact CD2-CD1 3.86Å; Y471-F498 HydrophobicContact CD2-CE1 4.28Å; L474-F498 HydrophobicContact CD1-CE2 4.11Å; L474-F498 HydrophobicContact CD1-CZ 4.05Å; I494-F498 HydrophobicContact CG2-CD2 3.87Å; I494-F498 HydrophobicContact CG2-CE2 3.55Å; I494-F498 VanDerWaalsContact O-CD2 3.26Å; I494-F498 WeakPolarHBondContact O-CD2 3.15Å; I494-F498 PolarHBondContact O-N 3.31Å; L495-F498 WeakPolarHBondContact O-CB 3.23Å; L495-F498 PolarHBondContact O-N 3.11Å; F498-D500 VanDerWaalsContact C-N 3.3Å; F498-D500 PolarHBondContact O-N 3.1Å; F498-N501 PolarHBondContact O-N 3.07Å; F498-L507 HydrophobicContact CD1-CD1 3.91Å; F498-W509 HydrophobicContact CB-CH2 3.77Å; F498-W509 HydrophobicContact CB-CZ3 4.36Å
499	L	83.1	Confident	80.9	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.3	175.5	-74.3	176.2	0	0	0	114.5	L495 N496 K497 N501 Y502 W509 F536 R539 L540 L543	L495-L499 PolarHBondContact O-N 2.85Å; L495-L499 VanDerWaalsContact O-N 3.12Å; N496-L499 WeakPolarHBondContact O-CB 3.35Å; N496-L499 PolarHBondContact O-N 3.39Å; K497-L499 PolarHBondContact O-N 2.59Å; L499-N501 VanDerWaalsContact C-N 3.3Å; L499-Y502 HydrophobicContact CD2-CD2 4.37Å; L499-W509 HydrophobicContact CB-CH2 4.42Å; L499-W509 HydrophobicContact CD2-CD2 4.22Å; L499-W509 HydrophobicContact CD2-CE3 3.77Å; L499-W509 HydrophobicContact CD2-CH2 3.44Å; L499-W509 VanDerWaalsContact CD2-CH2 3.44Å; L499-W509 HydrophobicContact CD2-CZ2 3.92Å; L499-W509 HydrophobicContact CD2-CZ3 3.36Å; L499-W509 HydrophobicContact CG-CE3 4.46Å; L499-W509 HydrophobicContact CG-CH2 3.79Å; L499-W509 HydrophobicContact CG-CZ3 3.67Å; L499-F536 HydrophobicContact CD1-CD2 3.32Å; L499-F536 HydrophobicContact CD1-CE2 3.26Å; L499-F536 HydrophobicContact CD1-CG 4.31Å; L499-F536 HydrophobicContact CD1-CZ 4.23Å; L499-F536 HydrophobicContact CG-CD2 4.33Å; L499-F536 HydrophobicContact CG-CE2 3.84Å; L499-R539 HydrophobicContact CD1-CB 4.28Å; L499-R539 HydrophobicContact CD1-CG 4.38Å; L499-R539 PolarHBondContact O-NH2 3Å; L499-L540 HydrophobicContact CD1-CG 4.11Å; L499-L540 HydrophobicContact CD2-CD2 3.57Å; L499-L540 HydrophobicContact CD2-CG 4.01Å; L499-L543 HydrophobicContact CD2-CD1 4.04Å
500	D	80.4	Confident	80.8	Confident	79 Å²	79	46.4 Å²	46.4	42%	0.422	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-36.1	174	-69.2	-22.8	0	0	0	111.5	N496 K497 F498 Y502 R539	N496-D500 PolarHBondContact O-N 3.05Å; K497-D500 WeakPolarHBondContact CD-OD2 3.26Å; K497-D500 IonicContact NZ-OD2 3.4Å; K497-D500 WeakPolarHBondContact O-CB 3.42Å; K497-D500 PolarHBondContact O-N 3.2Å; F498-D500 VanDerWaalsContact C-N 3.3Å; F498-D500 PolarHBondContact O-N 3.1Å; D500-Y502 PolarHBondContact O-N 3.01Å; D500-R539 IonicContact OD1-CZ 3.47Å; D500-R539 IonicContact OD1-NH1 2.75Å; D500-R539 PolarHBondContact OD1-NH1 3.03Å; D500-R539 IonicContact OD1-NH2 3.35Å; D500-R539 PolarHBondContact OD1-NH2 2.74Å
501	N	74.1	Confident	80.8	Confident	59 Å²	59	49.9 Å²	49.9	32%	0.316	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	41.1	178.1	-61.4	-25.3	0	0	0	111.3	T465 F498 L499 E503	T465-N501 PolarHBondContact OG1-ND2 2.99Å; F498-N501 PolarHBondContact O-N 3.07Å; L499-N501 VanDerWaalsContact C-N 3.3Å; N501-E503 PolarHBondContact O-N 3.44Å
502	Y	75.3	Confident	80.7	Confident	44 Å²	44	49.9 Å²	49.9	17%	0.173	24%	0.239	C	C	.	.			trans	-61	123.6	-175.7	178.2	-96.6	0	0	0	112	L499 D500 E504 W509 L543 Y547	L499-Y502 HydrophobicContact CD2-CD2 4.37Å; D500-Y502 PolarHBondContact O-N 3.01Å; Y502-E504 HydrophobicContact CE1-CG 3.81Å; Y502-W509 AromaticContact CD2-CE2 3.84Å; Y502-W509 AromaticContact CD2-CZ2 3.99Å; Y502-W509 HydrophobicContact CD2-CZ2 3.99Å; Y502-W509 AromaticContact CD2-NE1 3.62Å; Y502-W509 AromaticContact CE2-CD1 3.77Å; Y502-W509 HydrophobicContact CE2-CG 4.46Å; Y502-W509 AromaticContact CE2-NE1 3.42Å; Y502-L543 HydrophobicContact CD1-CD1 4.34Å; Y502-L543 HydrophobicContact CD1-CD2 4.19Å; Y502-L543 HydrophobicContact CD2-CD1 3.91Å; Y502-L543 HydrophobicContact CE1-CB 4.38Å; Y502-L543 HydrophobicContact CE2-CD1 4.43Å; Y502-L543 HydrophobicContact CG-CD1 3.86Å; Y502-L543 HydrophobicContact CG-CD2 4.42Å; Y502-Y547 HydrophobicContact CE2-CE2 4.29Å
503	E	71.8	Confident	80.8	Confident	97 Å²	97	49.9 Å²	49.9	45%	0.453	24%	0.239	S	C	.	.			trans	-124.7	138.3	167.4	-69.3	-177.4	166.6	0	0	109.4	H466 N501 M506	H466-E503 VanDerWaalsContact CE1-CD 3.42Å; H466-E503 IonicContact CE1-OE1 3.97Å; H466-E503 IonicContact CE1-OE2 3.33Å; H466-E503 PolarHBondContact CE1-OE2 2.88Å; H466-E503 VanDerWaalsContact CE1-OE2 3.32Å; H466-E503 IonicContact ND1-OE2 3.27Å; H466-E503 PolarHBondContact ND1-OE2 3.43Å; N501-E503 PolarHBondContact O-N 3.44Å; E503-M506 HydrophobicContact CB-CB 4.34Å; E503-M506 HydrophobicContact CB-CG 3.89Å
504	E	68.1	Low	80.8	Confident	137 Å²	137	51.1 Å²	51.1	64%	0.64	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	141	178	-69.9	-178.9	170.8	0	0	110.8	Y502 M506	Y502-E504 HydrophobicContact CE1-CG 3.81Å; E504-M506 PolarHBondContact O-N 3.44Å
505	D	66.1	Low	80.7	Confident	154 Å²	154	51.9 Å²	51.9	82%	0.824	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	1.9	175.8	-62.2	-29.2	0	0	0	118.7
506	M	76.5	Confident	80.7	Confident	94 Å²	94	51.9 Å²	51.9	46%	0.463	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-40	178.6	-74.1	-65.6	-72.9	0	0	113.9	E503 E504	E503-M506 HydrophobicContact CB-CB 4.34Å; E503-M506 HydrophobicContact CB-CG 3.89Å; E504-M506 PolarHBondContact O-N 3.44Å
507	L	80.2	Confident	80.8	Confident	13 Å²	13	51.3 Å²	51.3	7%	0.068	25%	0.251	C	S	.	.	S	Bend	trans	-120.1	147.5	-175.7	-65.2	174	0	0	0	112	T465 R468 Y471 F498 W509	T465-L507 WeakPolarHBondContact O-CD1 3.49Å; R468-L507 HydrophobicContact CB-CD2 4.43Å; Y471-L507 HydrophobicContact CD2-CD1 4.23Å; Y471-L507 HydrophobicContact CG-CD2 4.34Å; F498-L507 HydrophobicContact CD1-CD1 3.91Å; L507-W509 HydrophobicContact CB-CD2 4.32Å; L507-W509 HydrophobicContact CB-CZ2 4.29Å; L507-W509 HydrophobicContact CD1-CH2 3.97Å; L507-W509 HydrophobicContact CD1-CZ2 3.58Å; L507-W509 VanDerWaalsContact O-CD1 3.25Å; L507-W509 PolarHBondContact O-N 3.24Å
508	P	82.1	Confident	80.8	Confident	12 Å²	12	50.2 Å²	50.2	8%	0.078	25%	0.249	C	C	.	.			trans	-79	64.1	178.5	34.2	-35.4	0	0	0	111.2	R468 Y471 Q472 H510 E511	R468-P508 HydrophobicContact CG-CG 4.48Å; Y471-P508 HydrophobicContact CD1-CG 3.86Å; Y471-P508 HydrophobicContact CE1-CG 4Å; Y471-P508 WeakPolarHBondContact CE1-O 3.47Å; Q472-P508 HydrophobicContact CG-CG 4.13Å; P508-H510 PolarHBondContact O-N 3.25Å; P508-H510 VanDerWaalsContact O-N 3.09Å; P508-E511 HydrophobicContact CB-CB 4.49Å; P508-E511 HydrophobicContact CB-CG 3.99Å; P508-E511 WeakPolarHBondContact O-CB 3.47Å; P508-E511 PolarHBondContact O-N 2.95Å
509	W	83.5	Confident	80.8	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-52.6	-36.7	-176	-67.6	110	0	0	0	113.6	Y471 F498 L499 Y502 L507 E511 S512 L540 Y547	Y471-W509 AromaticContact CE2-CE3 3.74Å; Y471-W509 HydrophobicContact CE2-CE3 3.74Å; Y471-W509 HydrophobicContact CE2-CH2 4.37Å; Y471-W509 AromaticContact CE2-CZ3 3.62Å; Y471-W509 HydrophobicContact CE2-CZ3 3.62Å; Y471-W509 AromaticContact CZ-CE3 3.87Å; Y471-W509 WeakPolarHBondContact OH-CA 3.38Å; Y471-W509 PolarHBondContact OH-O 2.92Å; F498-W509 HydrophobicContact CB-CH2 3.77Å; F498-W509 HydrophobicContact CB-CZ3 4.36Å; L499-W509 HydrophobicContact CB-CH2 4.42Å; L499-W509 HydrophobicContact CD2-CD2 4.22Å; L499-W509 HydrophobicContact CD2-CE3 3.77Å; L499-W509 HydrophobicContact CD2-CH2 3.44Å; L499-W509 VanDerWaalsContact CD2-CH2 3.44Å; L499-W509 HydrophobicContact CD2-CZ2 3.92Å; L499-W509 HydrophobicContact CD2-CZ3 3.36Å; L499-W509 HydrophobicContact CG-CE3 4.46Å; L499-W509 HydrophobicContact CG-CH2 3.79Å; L499-W509 HydrophobicContact CG-CZ3 3.67Å; Y502-W509 AromaticContact CD2-CE2 3.84Å; Y502-W509 AromaticContact CD2-CZ2 3.99Å; Y502-W509 HydrophobicContact CD2-CZ2 3.99Å; Y502-W509 AromaticContact CD2-NE1 3.62Å; Y502-W509 AromaticContact CE2-CD1 3.77Å; Y502-W509 HydrophobicContact CE2-CG 4.46Å; Y502-W509 AromaticContact CE2-NE1 3.42Å; L507-W509 HydrophobicContact CB-CD2 4.32Å; L507-W509 HydrophobicContact CB-CZ2 4.29Å; L507-W509 HydrophobicContact CD1-CH2 3.97Å; L507-W509 HydrophobicContact CD1-CZ2 3.58Å; L507-W509 VanDerWaalsContact O-CD1 3.25Å; L507-W509 PolarHBondContact O-N 3.24Å; W509-E511 VanDerWaalsContact C-N 3.27Å; W509-E511 PolarHBondContact O-N 3.41Å; W509-S512 PolarHBondContact O-N 2.93Å; W509-S512 PolarHBondContact O-OG 2.7Å; W509-L540 HydrophobicContact CB-CD2 3.97Å; W509-L540 HydrophobicContact CD2-CD2 4.03Å; W509-L540 HydrophobicContact CE3-CD2 3.84Å; W509-L540 HydrophobicContact CG-CD2 4.13Å; W509-Y547 HydrophobicContact CB-CD1 4.42Å; W509-Y547 HydrophobicContact CB-CE1 3.77Å; W509-Y547 HydrophobicContact CB-CE2 3.98Å; W509-Y547 AromaticContact CD1-CZ 4Å; W509-Y547 HydrophobicContact CG-CE2 4.33Å
510	H	82.8	Confident	80.9	Confident	98 Å²	98	50.2 Å²	50.2	45%	0.454	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-29.5	178.8	67.5	-81.8	0	0	0	114.2	P508 S512 I513 Y547	P508-H510 PolarHBondContact O-N 3.25Å; P508-H510 VanDerWaalsContact O-N 3.09Å; H510-S512 PolarHBondContact O-N 3.44Å; H510-I513 PolarHBondContact O-N 3.17Å; H510-Y547 HydrophobicContact CB-CD1 4.36Å; H510-Y547 HydrophobicContact CB-CE1 4.37Å
511	E	84.8	Confident	81.1	Confident	76 Å²	76	49.4 Å²	49.4	36%	0.355	25%	0.248	S	C	.	.	H	α-helix	trans	-68.4	-22.7	179.5	-67.6	179.1	-178.6	0	0	112.3	Q472 P508 W509 P515	Q472-E511 PolarHBondContact NE2-OE2 3.47Å; P508-E511 HydrophobicContact CB-CB 4.49Å; P508-E511 HydrophobicContact CB-CG 3.99Å; P508-E511 WeakPolarHBondContact O-CB 3.47Å; P508-E511 PolarHBondContact O-N 2.95Å; W509-E511 VanDerWaalsContact C-N 3.27Å; W509-E511 PolarHBondContact O-N 3.41Å; E511-P515 WeakPolarHBondContact O-CD 3.41Å
512	S	86.3	Confident	81.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-80	-21.8	179	68	0	0	0	0	113.9	Y471 W509 H510 P515 C516	Y471-S512 WeakPolarHBondContact OH-CB 3.38Å; Y471-S512 PolarHBondContact OH-OG 2.93Å; Y471-S512 VanDerWaalsContact OH-OG 3.08Å; W509-S512 PolarHBondContact O-N 2.93Å; W509-S512 PolarHBondContact O-OG 2.7Å; H510-S512 PolarHBondContact O-N 3.44Å; S512-P515 WeakPolarHBondContact O-CD 3.25Å; S512-C516 WeakPolarHBondContact O-CB 3.22Å; S512-C516 PolarHBondContact O-N 2.9Å; S512-C516 PolarHBondContact O-SG 3.09Å
513	I	87.8	Confident	81.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-48.1	-169.3	-60.1	173.3	0	0	0	110.8	H510 C516 L517 L537 Y547 V550 M551 L554	H510-I513 PolarHBondContact O-N 3.17Å; I513-C516 PolarHBondContact O-N 3.39Å; I513-L517 HydrophobicContact CG2-CD1 4.02Å; I513-L517 HydrophobicContact CG2-CG 4.45Å; I513-L517 VanDerWaalsContact O-CG 3.24Å; I513-L517 WeakPolarHBondContact O-CG 3.36Å; I513-L517 PolarHBondContact O-N 3.21Å; I513-L537 HydrophobicContact CG2-CD2 4.35Å; I513-Y547 HydrophobicContact CD1-CD1 4.45Å; I513-V550 HydrophobicContact CD1-CB 4.11Å; I513-V550 HydrophobicContact CD1-CG1 3.85Å; I513-M551 HydrophobicContact CD1-CE 4.01Å; I513-M551 HydrophobicContact CD1-CG 4.15Å; I513-M551 HydrophobicContact CG1-CE 4.15Å; I513-M551 HydrophobicContact CG2-CB 4.49Å; I513-M551 HydrophobicContact CG2-CG 3.56Å; I513-L554 HydrophobicContact CB-CD1 4.05Å; I513-L554 HydrophobicContact CG2-CD1 3.68Å
514	E	86.1	Confident	82.5	Confident	130 Å²	130	45.3 Å²	45.3	61%	0.607	24%	0.239	S	C	*	.	H	α-helix	trans	-63.7	-50.1	179.8	170.8	176	-157.3	0	0	112.4	C516 L517 S518 L554	E514-C516 PolarHBondContact O-N 3.3Å; E514-L517 PolarHBondContact O-N 3.5Å; E514-S518 PolarHBondContact O-N 3.18Å; E514-L554 HydrophobicContact CB-CD1 3.98Å; E514-L554 HydrophobicContact CB-CD2 4.37Å
515	P	85.4	Confident	83.1	Confident	16 Å²	16	44.8 Å²	44.8	10%	0.104	24%	0.241	C	C	.	.	H	α-helix	trans	-54.4	-45.3	171.3	-31.7	39.5	0	0	0	113.4	V475 M478 E511 S512 L517 S518 T519	V475-P515 HydrophobicContact CG1-CB 4.31Å; V475-P515 HydrophobicContact CG1-CG 3.86Å; M478-P515 HydrophobicContact CE-CB 3.32Å; E511-P515 WeakPolarHBondContact O-CD 3.41Å; S512-P515 WeakPolarHBondContact O-CD 3.25Å; P515-L517 PolarHBondContact O-N 2.7Å; P515-S518 PolarHBondContact O-N 3.45Å; P515-S518 PolarHBondContact O-OG 2.83Å; P515-T519 PolarHBondContact O-N 3.2Å; P515-T519 PolarHBondContact O-OG1 3.47Å; P515-T519 VanDerWaalsContact O-OG1 3.13Å
516	C	86.9	Confident	84	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-44.3	176.7	-72.6	0	0	0	0	112.5	S512 I513 E514 M520 F533 L537	S512-C516 WeakPolarHBondContact O-CB 3.22Å; S512-C516 PolarHBondContact O-N 2.9Å; S512-C516 PolarHBondContact O-SG 3.09Å; I513-C516 PolarHBondContact O-N 3.39Å; E514-C516 PolarHBondContact O-N 3.3Å; C516-M520 WeakPolarHBondContact O-CB 3.34Å; C516-M520 PolarHBondContact O-N 3.27Å; C516-F533 HydrophobicContact CB-CD1 3.79Å; C516-F533 HydrophobicContact CB-CE1 3.91Å; C516-L537 HydrophobicContact CB-CD2 4.3Å
517	L	86.4	Confident	84.4	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-43.5	178	-66.7	171	0	0	0	111.5	I513 E514 P515 T519 M520 T521 L537 L554 T556	I513-L517 HydrophobicContact CG2-CD1 4.02Å; I513-L517 HydrophobicContact CG2-CG 4.45Å; I513-L517 VanDerWaalsContact O-CG 3.24Å; I513-L517 WeakPolarHBondContact O-CG 3.36Å; I513-L517 PolarHBondContact O-N 3.21Å; E514-L517 PolarHBondContact O-N 3.5Å; P515-L517 PolarHBondContact O-N 2.7Å; L517-T519 PolarHBondContact O-N 3.32Å; L517-M520 HydrophobicContact CD2-CE 4Å; L517-M520 PolarHBondContact O-N 3.27Å; L517-T521 WeakPolarHBondContact O-CG2 3.46Å; L517-T521 PolarHBondContact O-N 2.84Å; L517-T521 PolarHBondContact O-OG1 2.97Å; L517-L537 HydrophobicContact CD2-CD1 3.85Å; L517-L554 HydrophobicContact CD1-CB 3.76Å; L517-L554 HydrophobicContact CD1-CD1 4.46Å; L517-T556 VanDerWaalsContact CD1-OG1 3.26Å; L517-T556 WeakPolarHBondContact CD1-OG1 3.37Å; L517-T556 HydrophobicContact CD2-CG2 3.69Å; L517-T556 WeakPolarHBondContact CD2-OG1 3.39Å
518	S	85.4	Confident	84.5	Confident	28 Å²	28	46 Å²	46	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-47.5	178.4	76.5	0	0	0	0	111.5	R482 E514 P515 T521 A522	R482-S518 VanDerWaalsContact NH2-CB 3.32Å; R482-S518 PolarHBondContact NH2-OG 2.89Å; E514-S518 PolarHBondContact O-N 3.18Å; P515-S518 PolarHBondContact O-N 3.45Å; P515-S518 PolarHBondContact O-OG 2.83Å; S518-T521 PolarHBondContact O-N 3.03Å; S518-T521 PolarHBondContact O-OG1 3.48Å; S518-A522 PolarHBondContact O-N 2.87Å
519	T	83.9	Confident	84.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-41.5	177.8	-57.9	0	0	0	0	111.7	Q488 P515 L517 T521 A522 F523 F533	Q488-T519 HydrophobicContact CG-CG2 3.97Å; P515-T519 PolarHBondContact O-N 3.2Å; P515-T519 PolarHBondContact O-OG1 3.47Å; P515-T519 VanDerWaalsContact O-OG1 3.13Å; L517-T519 PolarHBondContact O-N 3.32Å; T519-T521 VanDerWaalsContact C-N 3.25Å; T519-T521 PolarHBondContact O-N 3.11Å; T519-A522 PolarHBondContact O-N 3.25Å; T519-A522 VanDerWaalsContact O-N 3.09Å; T519-F523 HydrophobicContact CG2-CD2 3.59Å; T519-F523 HydrophobicContact CG2-CE2 3.84Å; T519-F523 WeakPolarHBondContact O-CD2 3.26Å; T519-F523 PolarHBondContact O-N 2.99Å; T519-F533 HydrophobicContact CG2-CE2 3.65Å; T519-F533 HydrophobicContact CG2-CZ 3.56Å
520	M	85.6	Confident	84.9	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-39.4	175.3	-174.7	-178.5	73.2	0	0	111.4	C516 L517 F523 I524 V530 F533 I534 S559	C516-M520 WeakPolarHBondContact O-CB 3.34Å; C516-M520 PolarHBondContact O-N 3.27Å; L517-M520 HydrophobicContact CD2-CE 4Å; L517-M520 PolarHBondContact O-N 3.27Å; M520-F523 CarbonylContact O-C 3.59Å; M520-I524 PolarHBondContact O-N 3.08Å; M520-V530 HydrophobicContact CG-CG1 4.45Å; M520-V530 HydrophobicContact CG-CG2 4.36Å; M520-F533 HydrophobicContact CB-CB 4.23Å; M520-F533 HydrophobicContact CB-CD2 4.12Å; M520-F533 HydrophobicContact CB-CG 4.2Å; M520-F533 HydrophobicContact CG-CB 4.19Å; M520-F533 HydrophobicContact SD-CB 4.16Å; M520-I534 HydrophobicContact SD-CG1 4.11Å; M520-S559 WeakPolarHBondContact CE-OG 3.22Å
521	T	83.9	Confident	85.2	Confident	63 Å²	63	42.3 Å²	42.3	39%	0.387	22%	0.218	S	C	.	.	H	α-helix	trans	-70.4	-34.9	174.9	60.6	0	0	0	0	113.3	L517 S518 T519 I524	L517-T521 WeakPolarHBondContact O-CG2 3.46Å; L517-T521 PolarHBondContact O-N 2.84Å; L517-T521 PolarHBondContact O-OG1 2.97Å; S518-T521 PolarHBondContact O-N 3.03Å; S518-T521 PolarHBondContact O-OG1 3.48Å; T519-T521 VanDerWaalsContact C-N 3.25Å; T519-T521 PolarHBondContact O-N 3.11Å; T521-I524 WeakPolarHBondContact O-CB 3.47Å; T521-I524 PolarHBondContact O-N 2.94Å
522	A	84.3	Confident	85.2	Confident	66 Å²	66	40.7 Å²	40.7	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-41.6	175.2	0	0	0	0	0	112.1	S518 T519 I524	S518-A522 PolarHBondContact O-N 2.87Å; T519-A522 PolarHBondContact O-N 3.25Å; T519-A522 VanDerWaalsContact O-N 3.09Å; A522-I524 VanDerWaalsContact C-N 3.31Å; A522-I524 PolarHBondContact O-N 3.35Å
523	F	82.8	Confident	85.3	Confident	27 Å²	27	40.7 Å²	40.7	12%	0.118	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	23.6	178	-74	-82.6	0	0	0	113.6	R482 R485 Q488 T519 M520 N525 D526 V529 V530	R482-F523 WeakPolarHBondContact O-CE2 3.25Å; R482-F523 WeakPolarHBondContact O-CZ 3.41Å; R485-F523 HydrophobicContact CB-CE1 4.1Å; Q488-F523 HydrophobicContact CG-CE2 3.78Å; Q488-F523 HydrophobicContact CG-CZ 4.21Å; T519-F523 HydrophobicContact CG2-CD2 3.59Å; T519-F523 HydrophobicContact CG2-CE2 3.84Å; T519-F523 WeakPolarHBondContact O-CD2 3.26Å; T519-F523 PolarHBondContact O-N 2.99Å; M520-F523 CarbonylContact O-C 3.59Å; F523-N525 PolarHBondContact O-N 3.29Å; F523-D526 HydrophobicContact CB-CB 4.46Å; F523-D526 HydrophobicContact CD1-CB 4.38Å; F523-D526 PolarHBondContact O-N 3.49Å; F523-V529 HydrophobicContact CB-CB 4.16Å; F523-V529 HydrophobicContact CB-CG1 3.7Å; F523-V529 HydrophobicContact CD2-CG1 4.23Å; F523-V529 HydrophobicContact CG-CG1 3.93Å; F523-V530 WeakPolarHBondContact O-CG2 3.36Å
524	I	82.8	Confident	85.4	Confident	20 Å²	20	40.7 Å²	40.7	10%	0.103	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.2	-175.4	-153.7	172.8	0	0	0	113.7	M520 T521 A522 K562 K566 H567	M520-I524 PolarHBondContact O-N 3.08Å; T521-I524 WeakPolarHBondContact O-CB 3.47Å; T521-I524 PolarHBondContact O-N 2.94Å; A522-I524 VanDerWaalsContact C-N 3.31Å; A522-I524 PolarHBondContact O-N 3.35Å; I524-K562 HydrophobicContact CD1-CB 3.64Å; I524-K566 HydrophobicContact CB-CD 4.42Å; I524-K566 HydrophobicContact CD1-CD 4.15Å; I524-K566 HydrophobicContact CG1-CD 3.96Å; I524-K566 HydrophobicContact CG2-CD 3.84Å; I524-H567 PolarHBondContact O-NE2 2.76Å
525	N	82.1	Confident	85.5	Confident	127 Å²	127	41.2 Å²	41.2	68%	0.679	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-17.5	174.3	-60.4	-26.4	0	0	0	113.1	F523 K566	F523-N525 PolarHBondContact O-N 3.29Å; N525-K566 PolarHBondContact OD1-NZ 3.36Å
526	D	84.4	Confident	85.7	Confident	37 Å²	37	40.5 Å²	40.5	20%	0.198	20%	0.203	C	C	.	.			trans	-98.2	111.3	-179.1	-169.1	-36.3	0	0	0	110.9	R485 F523 E528 V529 V530	R485-D526 VanDerWaalsContact CD-OD2 3.26Å; R485-D526 WeakPolarHBondContact CD-OD2 3.36Å; R485-D526 IonicContact CZ-OD2 2.82Å; R485-D526 IonicContact NE-OD1 3.61Å; R485-D526 IonicContact NE-OD2 3.55Å; R485-D526 PolarHBondContact NE-OD2 3.22Å; R485-D526 IonicContact NH2-OD1 3.57Å; R485-D526 IonicContact NH2-OD2 2.88Å; F523-D526 HydrophobicContact CB-CB 4.46Å; F523-D526 HydrophobicContact CD1-CB 4.38Å; F523-D526 PolarHBondContact O-N 3.49Å; D526-E528 PolarHBondContact O-N 2.77Å; D526-E528 PolarHBondContact OD1-N 3.13Å; D526-E528 VanDerWaalsContact OD1-N 3.1Å; D526-V529 HydrophobicContact CB-CB 4.28Å; D526-V529 HydrophobicContact CB-CG2 4.18Å; D526-V530 WeakPolarHBondContact O-CB 3.49Å; D526-V530 WeakPolarHBondContact O-CG2 3.23Å; D526-V530 PolarHBondContact O-N 3.43Å
527	R	84	Confident	85.9	Confident	135 Å²	135	40.5 Å²	40.5	51%	0.509	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-42.4	-175.4	-177	-172.3	173.8	-159.4	-0.4	113.1	V530 Q531 N570 L571	R527-V530 PolarHBondContact O-N 2.87Å; R527-Q531 VanDerWaalsContact O-CB 3.31Å; R527-Q531 WeakPolarHBondContact O-CB 3.48Å; R527-Q531 PolarHBondContact O-N 3.03Å; R527-N570 PolarHBondContact NH2-O 3.07Å; R527-L571 HydrophobicContact CG-CD2 4.37Å
528	E	84.1	Confident	86	Confident	114 Å²	114	42.7 Å²	42.7	53%	0.533	21%	0.211	S	C	.	.	H	α-helix	trans	-68.2	-42.2	-172.4	-70.9	-176.9	-177.4	0	0	111	R485 D526 Q531 L532	R485-E528 IonicContact CZ-OE2 2.73Å; R485-E528 IonicContact NH2-OE2 3.53Å; R485-E528 PolarHBondContact NH2-OE2 2.97Å; D526-E528 PolarHBondContact O-N 2.77Å; D526-E528 PolarHBondContact OD1-N 3.13Å; D526-E528 VanDerWaalsContact OD1-N 3.1Å; E528-Q531 PolarHBondContact O-N 2.71Å; E528-L532 PolarHBondContact O-N 2.77Å; E528-L532 VanDerWaalsContact O-N 3.16Å
529	V	85.1	Confident	86.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-49.7	177.2	178.5	0	0	0	0	110	R485 L489 F523 D526 Q531 L532 F533	R485-V529 HydrophobicContact CG-CG2 3.99Å; L489-V529 HydrophobicContact CD2-CG2 3.86Å; L489-V529 HydrophobicContact CG-CG2 4.12Å; F523-V529 HydrophobicContact CB-CB 4.16Å; F523-V529 HydrophobicContact CB-CG1 3.7Å; F523-V529 HydrophobicContact CD2-CG1 4.23Å; F523-V529 HydrophobicContact CG-CG1 3.93Å; D526-V529 HydrophobicContact CB-CB 4.28Å; D526-V529 HydrophobicContact CB-CG2 4.18Å; V529-Q531 PolarHBondContact O-N 2.88Å; V529-L532 PolarHBondContact O-N 2.6Å; V529-F533 HydrophobicContact CG1-CD2 3.72Å; V529-F533 HydrophobicContact CG1-CE2 3.42Å; V529-F533 VanDerWaalsContact CG1-CE2 3.42Å; V529-F533 WeakPolarHBondContact O-CD2 3.2Å; V529-F533 PolarHBondContact O-N 3.3Å; V529-F533 VanDerWaalsContact O-N 3.11Å
530	V	87.2	Confident	86.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-42.5	179.3	170.5	0	0	0	0	111.9	M520 F523 D526 R527 L532 F533 I534 A563 L571	M520-V530 HydrophobicContact CG-CG1 4.45Å; M520-V530 HydrophobicContact CG-CG2 4.36Å; F523-V530 WeakPolarHBondContact O-CG2 3.36Å; D526-V530 WeakPolarHBondContact O-CB 3.49Å; D526-V530 WeakPolarHBondContact O-CG2 3.23Å; D526-V530 PolarHBondContact O-N 3.43Å; R527-V530 PolarHBondContact O-N 2.87Å; V530-L532 PolarHBondContact O-N 2.91Å; V530-F533 PolarHBondContact O-N 3.09Å; V530-I534 HydrophobicContact CG1-CD1 3.73Å; V530-I534 VanDerWaalsContact O-CG1 3.31Å; V530-I534 WeakPolarHBondContact O-CG1 3.26Å; V530-I534 PolarHBondContact O-N 2.96Å; V530-A563 HydrophobicContact CG1-CB 4.19Å; V530-L571 HydrophobicContact CG1-CD1 4.19Å; V530-L571 HydrophobicContact CG1-CD2 4.24Å
531	Q	89	Confident	86.5	Confident	33 Å²	33	44.7 Å²	44.7	15%	0.154	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-41.6	179	179.1	60.3	67.9	0	0	112.8	R527 E528 V529 R535 L571 L572	R527-Q531 VanDerWaalsContact O-CB 3.31Å; R527-Q531 WeakPolarHBondContact O-CB 3.48Å; R527-Q531 PolarHBondContact O-N 3.03Å; E528-Q531 PolarHBondContact O-N 2.71Å; V529-Q531 PolarHBondContact O-N 2.88Å; Q531-R535 WeakPolarHBondContact O-CB 3.25Å; Q531-R535 PolarHBondContact O-N 3.06Å; Q531-L571 HydrophobicContact CB-CD2 4.28Å; Q531-L571 VanDerWaalsContact OE1-CA 3.27Å; Q531-L572 PolarHBondContact NE2-O 2.98Å
532	L	85.4	Confident	86.6	Confident	42 Å²	42	44.7 Å²	44.7	22%	0.22	22%	0.217	C	C	.	.	H	α-helix	trans	-68.5	-37.3	178.1	-74.4	165.9	0	0	0	111.3	L489 L492 E528 V529 V530 R535 F536	L489-L532 HydrophobicContact CD2-CD1 3.4Å; L492-L532 HydrophobicContact CD2-CB 3.31Å; L492-L532 HydrophobicContact CG-CB 4.24Å; E528-L532 PolarHBondContact O-N 2.77Å; E528-L532 VanDerWaalsContact O-N 3.16Å; V529-L532 PolarHBondContact O-N 2.6Å; V530-L532 PolarHBondContact O-N 2.91Å; L532-R535 PolarHBondContact O-N 3.18Å; L532-F536 WeakPolarHBondContact O-CB 3.44Å; L532-F536 PolarHBondContact O-N 3.26Å
533	F	88.9	Confident	86.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-43.7	176.7	-83.9	-62.7	0	0	0	110.9	M478 L492 C516 T519 M520 V529 V530 R535 F536 L537	M478-F533 HydrophobicContact SD-CE1 4.07Å; M478-F533 HydrophobicContact SD-CZ 4.36Å; L492-F533 HydrophobicContact CD1-CD1 3.59Å; L492-F533 HydrophobicContact CD1-CE1 3.6Å; L492-F533 HydrophobicContact CD1-CG 4.41Å; L492-F533 HydrophobicContact CD1-CZ 4.43Å; L492-F533 HydrophobicContact CD2-CB 4.46Å; L492-F533 HydrophobicContact CD2-CD1 3.82Å; L492-F533 HydrophobicContact CD2-CD2 4.08Å; L492-F533 HydrophobicContact CD2-CE1 3.97Å; L492-F533 HydrophobicContact CD2-CE2 4.22Å; L492-F533 HydrophobicContact CD2-CG 3.85Å; L492-F533 HydrophobicContact CD2-CZ 4.16Å; L492-F533 HydrophobicContact CG-CD1 4.38Å; L492-F533 HydrophobicContact CG-CE1 4.36Å; C516-F533 HydrophobicContact CB-CD1 3.79Å; C516-F533 HydrophobicContact CB-CE1 3.91Å; T519-F533 HydrophobicContact CG2-CE2 3.65Å; T519-F533 HydrophobicContact CG2-CZ 3.56Å; M520-F533 HydrophobicContact CB-CB 4.23Å; M520-F533 HydrophobicContact CB-CD2 4.12Å; M520-F533 HydrophobicContact CB-CG 4.2Å; M520-F533 HydrophobicContact CG-CB 4.19Å; M520-F533 HydrophobicContact SD-CB 4.16Å; V529-F533 HydrophobicContact CG1-CD2 3.72Å; V529-F533 HydrophobicContact CG1-CE2 3.42Å; V529-F533 VanDerWaalsContact CG1-CE2 3.42Å; V529-F533 WeakPolarHBondContact O-CD2 3.2Å; V529-F533 PolarHBondContact O-N 3.3Å; V529-F533 VanDerWaalsContact O-N 3.11Å; V530-F533 PolarHBondContact O-N 3.09Å; F533-R535 VanDerWaalsContact C-N 3.32Å; F533-R535 PolarHBondContact O-N 3.38Å; F533-F536 PolarHBondContact O-N 3.32Å; F533-L537 WeakPolarHBondContact O-CB 3.49Å; F533-L537 VanDerWaalsContact O-CG 3.27Å; F533-L537 WeakPolarHBondContact O-CG 3.24Å; F533-L537 PolarHBondContact O-N 2.85Å
534	I	89.3	Confident	86.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-43.2	176	-71.4	166.2	0	0	0	110.8	M520 V530 L537 Y538 L560 L571 V574 L577	M520-I534 HydrophobicContact SD-CG1 4.11Å; V530-I534 HydrophobicContact CG1-CD1 3.73Å; V530-I534 VanDerWaalsContact O-CG1 3.31Å; V530-I534 WeakPolarHBondContact O-CG1 3.26Å; V530-I534 PolarHBondContact O-N 2.96Å; I534-L537 PolarHBondContact O-N 2.83Å; I534-Y538 VanDerWaalsContact O-CB 3.26Å; I534-Y538 WeakPolarHBondContact O-CB 3.46Å; I534-Y538 PolarHBondContact O-N 2.84Å; I534-L560 HydrophobicContact CD1-CD2 4.41Å; I534-L560 HydrophobicContact CG1-CD2 4.09Å; I534-L571 HydrophobicContact CD1-CD1 3.92Å; I534-V574 HydrophobicContact CB-CG2 4.4Å; I534-V574 HydrophobicContact CD1-CG2 3.31Å; I534-V574 HydrophobicContact CG1-CG2 4.16Å; I534-V574 HydrophobicContact CG2-CG2 3.6Å; I534-L577 HydrophobicContact CG2-CD2 4.41Å
535	R	89.1	Confident	86.8	Confident	142 Å²	142	51.8 Å²	51.8	54%	0.536	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-43.1	178.1	-171.8	174.9	179.4	116.1	-1.9	111.9	Q531 L532 F533 R539 L573	Q531-R535 WeakPolarHBondContact O-CB 3.25Å; Q531-R535 PolarHBondContact O-N 3.06Å; L532-R535 PolarHBondContact O-N 3.18Å; F533-R535 VanDerWaalsContact C-N 3.32Å; F533-R535 PolarHBondContact O-N 3.38Å; R535-R539 WeakPolarHBondContact O-CB 3.46Å; R535-R539 PolarHBondContact O-N 2.71Å; R535-L573 HydrophobicContact CG-CD1 4.27Å
536	F	90	Very high	86.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-49.7	176.8	177.3	-102.4	0	0	0	111.8	L492 L495 L499 L532 F533 Y538 R539 L540	L492-F536 HydrophobicContact CD1-CB 3.96Å; L492-F536 HydrophobicContact CD1-CD1 4.22Å; L492-F536 HydrophobicContact CD1-CD2 4.47Å; L492-F536 HydrophobicContact CD1-CG 3.97Å; L495-F536 HydrophobicContact CB-CD2 4.31Å; L495-F536 HydrophobicContact CB-CE2 3.67Å; L495-F536 HydrophobicContact CB-CZ 4.09Å; L495-F536 HydrophobicContact CD1-CZ 4.42Å; L499-F536 HydrophobicContact CD1-CD2 3.32Å; L499-F536 HydrophobicContact CD1-CE2 3.26Å; L499-F536 HydrophobicContact CD1-CG 4.31Å; L499-F536 HydrophobicContact CD1-CZ 4.23Å; L499-F536 HydrophobicContact CG-CD2 4.33Å; L499-F536 HydrophobicContact CG-CE2 3.84Å; L532-F536 WeakPolarHBondContact O-CB 3.44Å; L532-F536 PolarHBondContact O-N 3.26Å; F533-F536 PolarHBondContact O-N 3.32Å; F536-Y538 PolarHBondContact O-N 2.77Å; F536-R539 PolarHBondContact O-N 3.14Å; F536-L540 HydrophobicContact CD1-CD1 3.95Å; F536-L540 HydrophobicContact CE1-CD1 3.33Å; F536-L540 HydrophobicContact CE1-CG 4.38Å; F536-L540 HydrophobicContact CE2-CD1 4.31Å; F536-L540 HydrophobicContact CZ-CD1 3.55Å; F536-L540 HydrophobicContact CZ-CG 4.29Å; F536-L540 PolarHBondContact O-N 3.34Å
537	L	90.3	Very high	86.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-41.5	178.5	-68.1	173.5	0	0	0	112	I513 C516 L517 F533 I534 L540 A541 M551 L577	I513-L537 HydrophobicContact CG2-CD2 4.35Å; C516-L537 HydrophobicContact CB-CD2 4.3Å; L517-L537 HydrophobicContact CD2-CD1 3.85Å; F533-L537 WeakPolarHBondContact O-CB 3.49Å; F533-L537 VanDerWaalsContact O-CG 3.27Å; F533-L537 WeakPolarHBondContact O-CG 3.24Å; F533-L537 PolarHBondContact O-N 2.85Å; I534-L537 PolarHBondContact O-N 2.83Å; L537-L540 PolarHBondContact O-N 3.42Å; L537-A541 VanDerWaalsContact O-CB 3.28Å; L537-A541 WeakPolarHBondContact O-CB 3.43Å; L537-A541 PolarHBondContact O-N 3.32Å; L537-M551 HydrophobicContact CB-CE 4.14Å; L537-M551 HydrophobicContact CB-SD 4.23Å; L537-M551 HydrophobicContact CD2-CE 3.67Å; L537-M551 HydrophobicContact CD2-SD 4.2Å; L537-M551 WeakPolarHBondContact O-CE 3.29Å; L537-L577 HydrophobicContact CB-CD2 3.86Å
538	Y	89.6	Confident	86.9	Confident	59 Å²	59	43 Å²	43	23%	0.231	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-47.4	174.1	177	-98.7	0	0	0	112	I534 F536 L540 A541 S542 L573 E576 L577	I534-Y538 VanDerWaalsContact O-CB 3.26Å; I534-Y538 WeakPolarHBondContact O-CB 3.46Å; I534-Y538 PolarHBondContact O-N 2.84Å; F536-Y538 PolarHBondContact O-N 2.77Å; Y538-L540 PolarHBondContact O-N 3.39Å; Y538-A541 PolarHBondContact O-N 3.38Å; Y538-S542 VanDerWaalsContact O-CB 3.32Å; Y538-S542 WeakPolarHBondContact O-CB 2.98Å; Y538-S542 PolarHBondContact O-N 2.85Å; Y538-S542 PolarHBondContact O-OG 3.07Å; Y538-L573 HydrophobicContact CD1-CB 4.42Å; Y538-L573 HydrophobicContact CD1-CD1 3.82Å; Y538-L573 HydrophobicContact CD1-CD2 4.28Å; Y538-L573 HydrophobicContact CD1-CG 4.4Å; Y538-L573 HydrophobicContact CD2-CB 4.45Å; Y538-L573 HydrophobicContact CE1-CD1 4.26Å; Y538-L573 HydrophobicContact CE1-CD2 3.99Å; Y538-L573 HydrophobicContact CG-CB 4.17Å; Y538-L573 HydrophobicContact CG-CD1 4.31Å; Y538-E576 HydrophobicContact CD2-CB 4.22Å; Y538-E576 HydrophobicContact CE2-CB 3.56Å; Y538-E576 PolarHBondContact OH-OE2 2.97Å; Y538-L577 HydrophobicContact CD2-CB 4.01Å
539	R	88.3	Confident	87	Confident	73 Å²	73	38.1 Å²	38.1	28%	0.275	18%	0.179	S	C	.	.	H	α-helix	trans	-61.4	-46.5	179.5	-164.9	-179.1	177	-176.9	9.6	111.4	N496 L499 D500 R535 F536 A541 S542 L543	N496-R539 PolarHBondContact O-NH1 2.91Å; N496-R539 VanDerWaalsContact O-NH1 3.09Å; L499-R539 HydrophobicContact CD1-CB 4.28Å; L499-R539 HydrophobicContact CD1-CG 4.38Å; L499-R539 PolarHBondContact O-NH2 3Å; D500-R539 IonicContact OD1-CZ 3.47Å; D500-R539 IonicContact OD1-NH1 2.75Å; D500-R539 PolarHBondContact OD1-NH1 3.03Å; D500-R539 IonicContact OD1-NH2 3.35Å; D500-R539 PolarHBondContact OD1-NH2 2.74Å; R535-R539 WeakPolarHBondContact O-CB 3.46Å; R535-R539 PolarHBondContact O-N 2.71Å; F536-R539 PolarHBondContact O-N 3.14Å; R539-A541 PolarHBondContact O-N 2.86Å; R539-S542 WeakPolarHBondContact CA-OG 3.26Å; R539-S542 PolarHBondContact O-N 3.3Å; R539-S542 PolarHBondContact O-OG 3.02Å; R539-L543 HydrophobicContact CG-CD1 4.29Å; R539-L543 VanDerWaalsContact O-CG 3.29Å; R539-L543 WeakPolarHBondContact O-CG 3.21Å; R539-L543 PolarHBondContact O-N 3.49Å
540	L	88.3	Confident	86.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56.6	-49.3	174	-87.3	173	0	0	0	112.7	L499 W509 F536 L537 Y538 S542 L543 N544 Y547 M551	L499-L540 HydrophobicContact CD1-CG 4.11Å; L499-L540 HydrophobicContact CD2-CD2 3.57Å; L499-L540 HydrophobicContact CD2-CG 4.01Å; W509-L540 HydrophobicContact CB-CD2 3.97Å; W509-L540 HydrophobicContact CD2-CD2 4.03Å; W509-L540 HydrophobicContact CE3-CD2 3.84Å; W509-L540 HydrophobicContact CG-CD2 4.13Å; F536-L540 HydrophobicContact CD1-CD1 3.95Å; F536-L540 HydrophobicContact CE1-CD1 3.33Å; F536-L540 HydrophobicContact CE1-CG 4.38Å; F536-L540 HydrophobicContact CE2-CD1 4.31Å; F536-L540 HydrophobicContact CZ-CD1 3.55Å; F536-L540 HydrophobicContact CZ-CG 4.29Å; F536-L540 PolarHBondContact O-N 3.34Å; L537-L540 PolarHBondContact O-N 3.42Å; Y538-L540 PolarHBondContact O-N 3.39Å; L540-S542 VanDerWaalsContact C-N 3.27Å; L540-S542 PolarHBondContact O-N 3.11Å; L540-L543 PolarHBondContact O-N 3.29Å; L540-N544 PolarHBondContact O-N 3.27Å; L540-Y547 HydrophobicContact CD2-CD2 4.12Å; L540-Y547 HydrophobicContact CD2-CE2 4.36Å; L540-M551 HydrophobicContact CB-CE 3.77Å; L540-M551 HydrophobicContact CD1-CE 4.31Å
541	A	87.5	Confident	86.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.9	-30.3	-178.3	0	0	0	0	0	112.6	L537 Y538 R539 A548 M551 L577 L580	L537-A541 VanDerWaalsContact O-CB 3.28Å; L537-A541 WeakPolarHBondContact O-CB 3.43Å; L537-A541 PolarHBondContact O-N 3.32Å; Y538-A541 PolarHBondContact O-N 3.38Å; R539-A541 PolarHBondContact O-N 2.86Å; A541-A548 HydrophobicContact CB-CB 3.99Å; A541-M551 HydrophobicContact CB-CE 4.28Å; A541-M551 HydrophobicContact CB-SD 3.94Å; A541-L577 HydrophobicContact CB-CD1 4.04Å; A541-L580 HydrophobicContact CB-CD2 3.79Å
542	S	87.3	Confident	86.7	Confident	63 Å²	63	39.8 Å²	39.8	44%	0.441	19%	0.192	S	C	.	.	H	α-helix	trans	-75.2	-32	176.3	72.5	0	0	0	0	113.3	Y538 R539 L540	Y538-S542 VanDerWaalsContact O-CB 3.32Å; Y538-S542 WeakPolarHBondContact O-CB 2.98Å; Y538-S542 PolarHBondContact O-N 2.85Å; Y538-S542 PolarHBondContact O-OG 3.07Å; R539-S542 WeakPolarHBondContact CA-OG 3.26Å; R539-S542 PolarHBondContact O-N 3.3Å; R539-S542 PolarHBondContact O-OG 3.02Å; L540-S542 VanDerWaalsContact C-N 3.27Å; L540-S542 PolarHBondContact O-N 3.11Å
543	L	85.9	Confident	86.5	Confident	70 Å²	70	45.5 Å²	45.5	37%	0.366	21%	0.21	S	C	.	.	H	α-helix	trans	-72.8	-47.8	178.5	-72.9	166.4	0	0	0	111.2	L499 Y502 R539 L540	L499-L543 HydrophobicContact CD2-CD1 4.04Å; Y502-L543 HydrophobicContact CD1-CD1 4.34Å; Y502-L543 HydrophobicContact CD1-CD2 4.19Å; Y502-L543 HydrophobicContact CD2-CD1 3.91Å; Y502-L543 HydrophobicContact CE1-CB 4.38Å; Y502-L543 HydrophobicContact CE2-CD1 4.43Å; Y502-L543 HydrophobicContact CG-CD1 3.86Å; Y502-L543 HydrophobicContact CG-CD2 4.42Å; R539-L543 HydrophobicContact CG-CD1 4.29Å; R539-L543 VanDerWaalsContact O-CG 3.29Å; R539-L543 WeakPolarHBondContact O-CG 3.21Å; R539-L543 PolarHBondContact O-N 3.49Å; L540-L543 PolarHBondContact O-N 3.29Å
544	N	81.6	Confident	86.2	Confident	34 Å²	34	48.8 Å²	48.8	18%	0.182	23%	0.228	C	C	.	.			trans	-138.8	125.3	177.8	-173.4	-21.9	0	0	0	111.5	L540 D546 Y547	L540-N544 PolarHBondContact O-N 3.27Å; N544-D546 PolarHBondContact O-N 3.44Å; N544-D546 WeakPolarHBondContact OD1-CB 3.23Å; N544-D546 PolarHBondContact OD1-N 2.91Å; N544-Y547 HydrophobicContact CB-CD2 3.67Å; N544-Y547 HydrophobicContact CB-CE2 3.68Å; N544-Y547 PolarHBondContact O-N 2.96Å
545	K	85.7	Confident	86	Confident	157 Å²	157	50 Å²	50	68%	0.683	24%	0.241	S	C	*	.	H	α-helix	trans	-64.8	-22.6	-179.7	-66.6	-174.8	179.5	179.8	0	113.3	Y547 A548 V549	K545-Y547 VanDerWaalsContact C-N 3.3Å; K545-Y547 PolarHBondContact O-N 3.46Å; K545-A548 VanDerWaalsContact O-CB 3.31Å; K545-A548 WeakPolarHBondContact O-CB 3.31Å; K545-A548 PolarHBondContact O-N 3.5Å; K545-A548 VanDerWaalsContact O-N 3.15Å; K545-V549 WeakPolarHBondContact O-CG2 3.5Å; K545-V549 PolarHBondContact O-N 3.03Å
546	D	81.8	Confident	85.8	Confident	95 Å²	95	43.3 Å²	43.3	51%	0.508	22%	0.215	S	C	.	.	H	α-helix	trans	-65.4	-35.4	175.8	-67.7	-28	0	0	0	111.4	N544 A548 V549 V550	N544-D546 PolarHBondContact O-N 3.44Å; N544-D546 WeakPolarHBondContact OD1-CB 3.23Å; N544-D546 PolarHBondContact OD1-N 2.91Å; D546-A548 VanDerWaalsContact C-N 3.32Å; D546-A548 PolarHBondContact O-N 3.34Å; D546-V549 WeakPolarHBondContact O-CB 3.44Å; D546-V549 PolarHBondContact O-N 3.12Å; D546-V550 WeakPolarHBondContact O-CG2 3.33Å; D546-V550 PolarHBondContact O-N 2.84Å
547	Y	85.9	Confident	85.6	Confident	20 Å²	20	47 Å²	47	8%	0.078	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-35.6	172.9	-57.6	-43.6	0	0	0	111.7	Y502 W509 H510 I513 L540 N544 K545 V549 V550 M551	Y502-Y547 HydrophobicContact CE2-CE2 4.29Å; W509-Y547 HydrophobicContact CB-CD1 4.42Å; W509-Y547 HydrophobicContact CB-CE1 3.77Å; W509-Y547 HydrophobicContact CB-CE2 3.98Å; W509-Y547 AromaticContact CD1-CZ 4Å; W509-Y547 HydrophobicContact CG-CE2 4.33Å; H510-Y547 HydrophobicContact CB-CD1 4.36Å; H510-Y547 HydrophobicContact CB-CE1 4.37Å; I513-Y547 HydrophobicContact CD1-CD1 4.45Å; L540-Y547 HydrophobicContact CD2-CD2 4.12Å; L540-Y547 HydrophobicContact CD2-CE2 4.36Å; N544-Y547 HydrophobicContact CB-CD2 3.67Å; N544-Y547 HydrophobicContact CB-CE2 3.68Å; N544-Y547 PolarHBondContact O-N 2.96Å; K545-Y547 VanDerWaalsContact C-N 3.3Å; K545-Y547 PolarHBondContact O-N 3.46Å; Y547-V549 VanDerWaalsContact C-N 3.32Å; Y547-V549 PolarHBondContact O-N 2.96Å; Y547-V550 PolarHBondContact O-N 3.08Å; Y547-M551 WeakPolarHBondContact O-CB 3.36Å; Y547-M551 VanDerWaalsContact O-CG 3.25Å; Y547-M551 WeakPolarHBondContact O-CG 3.45Å; Y547-M551 PolarHBondContact O-N 3.4Å
548	A	85.8	Confident	85.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-40.5	172	0	0	0	0	0	111.4	A541 K545 D546 V550 M551 C552 L580 C584	A541-A548 HydrophobicContact CB-CB 3.99Å; K545-A548 VanDerWaalsContact O-CB 3.31Å; K545-A548 WeakPolarHBondContact O-CB 3.31Å; K545-A548 PolarHBondContact O-N 3.5Å; K545-A548 VanDerWaalsContact O-N 3.15Å; D546-A548 VanDerWaalsContact C-N 3.32Å; D546-A548 PolarHBondContact O-N 3.34Å; A548-V550 PolarHBondContact O-N 2.95Å; A548-M551 WeakPolarHBondContact O-CB 3.28Å; A548-M551 PolarHBondContact O-N 3.49Å; A548-C552 PolarHBondContact O-N 3.12Å; A548-C552 PolarHBondContact O-SG 3.04Å; A548-L580 HydrophobicContact CB-CD2 3.46Å; A548-L580 VanDerWaalsContact CB-CD2 3.46Å; A548-C584 HydrophobicContact CB-CB 4.21Å
549	V	84.4	Confident	85.2	Confident	12 Å²	12	51 Å²	51	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-41.7	174.3	175.8	0	0	0	0	111.6	K545 D546 Y547 C552 R553 C584 A588 Y591	K545-V549 WeakPolarHBondContact O-CG2 3.5Å; K545-V549 PolarHBondContact O-N 3.03Å; D546-V549 WeakPolarHBondContact O-CB 3.44Å; D546-V549 PolarHBondContact O-N 3.12Å; Y547-V549 VanDerWaalsContact C-N 3.32Å; Y547-V549 PolarHBondContact O-N 2.96Å; V549-C552 WeakPolarHBondContact O-CB 3.42Å; V549-C552 PolarHBondContact O-N 3.16Å; V549-R553 WeakPolarHBondContact O-CG 3.35Å; V549-R553 PolarHBondContact O-N 3.26Å; V549-R553 VanDerWaalsContact O-N 3.08Å; V549-C584 HydrophobicContact CG2-CB 4.05Å; V549-A588 HydrophobicContact CG1-CB 4.11Å; V549-Y591 HydrophobicContact CG1-CD2 3.93Å; V549-Y591 HydrophobicContact CG1-CE2 4.29Å
550	V	83.7	Confident	85.1	Confident	43 Å²	43	47.7 Å²	47.7	26%	0.261	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-44.3	174	174.9	0	0	0	0	110.9	I513 D546 Y547 A548 C552 R553 L554	I513-V550 HydrophobicContact CD1-CB 4.11Å; I513-V550 HydrophobicContact CD1-CG1 3.85Å; D546-V550 WeakPolarHBondContact O-CG2 3.33Å; D546-V550 PolarHBondContact O-N 2.84Å; Y547-V550 PolarHBondContact O-N 3.08Å; A548-V550 PolarHBondContact O-N 2.95Å; V550-C552 VanDerWaalsContact C-N 3.32Å; V550-C552 PolarHBondContact O-N 2.89Å; V550-R553 WeakPolarHBondContact O-CB 3.38Å; V550-R553 PolarHBondContact O-N 3.46Å; V550-R553 VanDerWaalsContact O-N 3.11Å; V550-L554 HydrophobicContact CG1-CD1 3.82Å; V550-L554 HydrophobicContact CG1-CG 4.39Å; V550-L554 WeakPolarHBondContact O-CG 3.49Å; V550-L554 PolarHBondContact O-N 3.32Å
551	M	86.8	Confident	84.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-41.4	174.3	-73.2	175.5	-162.5	0	0	112.1	I513 L537 L540 A541 Y547 A548 R553 L554 G555 T556 L577 I581	I513-M551 HydrophobicContact CD1-CE 4.01Å; I513-M551 HydrophobicContact CD1-CG 4.15Å; I513-M551 HydrophobicContact CG1-CE 4.15Å; I513-M551 HydrophobicContact CG2-CB 4.49Å; I513-M551 HydrophobicContact CG2-CG 3.56Å; L537-M551 HydrophobicContact CB-CE 4.14Å; L537-M551 HydrophobicContact CB-SD 4.23Å; L537-M551 HydrophobicContact CD2-CE 3.67Å; L537-M551 HydrophobicContact CD2-SD 4.2Å; L537-M551 WeakPolarHBondContact O-CE 3.29Å; L540-M551 HydrophobicContact CB-CE 3.77Å; L540-M551 HydrophobicContact CD1-CE 4.31Å; A541-M551 HydrophobicContact CB-CE 4.28Å; A541-M551 HydrophobicContact CB-SD 3.94Å; Y547-M551 WeakPolarHBondContact O-CB 3.36Å; Y547-M551 VanDerWaalsContact O-CG 3.25Å; Y547-M551 WeakPolarHBondContact O-CG 3.45Å; Y547-M551 PolarHBondContact O-N 3.4Å; A548-M551 WeakPolarHBondContact O-CB 3.28Å; A548-M551 PolarHBondContact O-N 3.49Å; M551-R553 VanDerWaalsContact C-N 3.35Å; M551-R553 PolarHBondContact O-N 3.5Å; M551-L554 PolarHBondContact O-N 3.43Å; M551-G555 PolarHBondContact O-N 3.08Å; M551-T556 VanDerWaalsContact C-OG1 3.3Å; M551-T556 WeakPolarHBondContact CA-OG1 3.4Å; M551-T556 HydrophobicContact CB-CG2 4.45Å; M551-T556 WeakPolarHBondContact CB-OG1 3.45Å; M551-T556 VanDerWaalsContact O-CB 3.23Å; M551-T556 WeakPolarHBondContact O-CB 3.44Å; M551-T556 PolarHBondContact O-N 3.38Å; M551-T556 VanDerWaalsContact O-N 3.08Å; M551-T556 PolarHBondContact O-OG1 3.45Å; M551-L577 HydrophobicContact SD-CD1 4.46Å; M551-I581 HydrophobicContact CB-CD1 4.46Å
552	C	85.1	Confident	84.9	Confident	26 Å²	26	56 Å²	56	18%	0.176	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-43.9	174.4	-61.8	0	0	0	0	111.6	A548 V549 V550 L554 G555 I581 A588	A548-C552 PolarHBondContact O-N 3.12Å; A548-C552 PolarHBondContact O-SG 3.04Å; V549-C552 WeakPolarHBondContact O-CB 3.42Å; V549-C552 PolarHBondContact O-N 3.16Å; V550-C552 VanDerWaalsContact C-N 3.32Å; V550-C552 PolarHBondContact O-N 2.89Å; C552-L554 VanDerWaalsContact C-N 3.33Å; C552-L554 PolarHBondContact O-N 3.3Å; C552-G555 PolarHBondContact O-N 3.43Å; C552-I581 WeakPolarHBondContact SG-CG2 3.27Å; C552-I581 PolarHBondContact SG-O 3.26Å; C552-A588 HydrophobicContact CB-CB 3.62Å
553	R	81.4	Confident	84.7	Confident	161 Å²	161	53.1 Å²	53.1	61%	0.608	26%	0.262	S	S	*	.	H	α-helix	trans	-65.6	-34.6	-179.7	-72.3	179.8	63.5	-172.5	-1.9	113	V549 V550 M551 G555 A588	V549-R553 WeakPolarHBondContact O-CG 3.35Å; V549-R553 PolarHBondContact O-N 3.26Å; V549-R553 VanDerWaalsContact O-N 3.08Å; V550-R553 WeakPolarHBondContact O-CB 3.38Å; V550-R553 PolarHBondContact O-N 3.46Å; V550-R553 VanDerWaalsContact O-N 3.11Å; M551-R553 VanDerWaalsContact C-N 3.35Å; M551-R553 PolarHBondContact O-N 3.5Å; R553-G555 VanDerWaalsContact C-N 3.27Å; R553-G555 PolarHBondContact O-N 3.44Å; R553-A588 HydrophobicContact CG-CB 4.13Å
554	L	83.1	Confident	84.6	Confident	70 Å²	70	52.5 Å²	52.5	37%	0.366	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	4.3	-179.8	-66.2	172	0	0	0	113.8	I513 E514 L517 V550 M551 C552	I513-L554 HydrophobicContact CB-CD1 4.05Å; I513-L554 HydrophobicContact CG2-CD1 3.68Å; E514-L554 HydrophobicContact CB-CD1 3.98Å; E514-L554 HydrophobicContact CB-CD2 4.37Å; L517-L554 HydrophobicContact CD1-CB 3.76Å; L517-L554 HydrophobicContact CD1-CD1 4.46Å; V550-L554 HydrophobicContact CG1-CD1 3.82Å; V550-L554 HydrophobicContact CG1-CG 4.39Å; V550-L554 WeakPolarHBondContact O-CG 3.49Å; V550-L554 PolarHBondContact O-N 3.32Å; M551-L554 PolarHBondContact O-N 3.43Å; C552-L554 VanDerWaalsContact C-N 3.33Å; C552-L554 PolarHBondContact O-N 3.3Å
555	G	84.1	Confident	84.7	Confident	26 Å²	26	56.7 Å²	56.7	27%	0.268	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	26.4	175.6	0	0	0	0	0	114.5	M551 C552 R553 K557 E558 S559	M551-G555 PolarHBondContact O-N 3.08Å; C552-G555 PolarHBondContact O-N 3.43Å; R553-G555 VanDerWaalsContact C-N 3.27Å; R553-G555 PolarHBondContact O-N 3.44Å; G555-K557 PolarHBondContact O-N 2.99Å; G555-K557 VanDerWaalsContact O-N 3.16Å; G555-E558 PolarHBondContact O-N 3.11Å; G555-E558 VanDerWaalsContact O-N 3.12Å; G555-S559 PolarHBondContact O-N 2.85Å
556	T	86.3	Confident	84.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.4	-32.6	178.4	-54.6	0	0	0	0	112.5	L517 M551 E558 S559 L560 I581	L517-T556 VanDerWaalsContact CD1-OG1 3.26Å; L517-T556 WeakPolarHBondContact CD1-OG1 3.37Å; L517-T556 HydrophobicContact CD2-CG2 3.69Å; L517-T556 WeakPolarHBondContact CD2-OG1 3.39Å; M551-T556 VanDerWaalsContact C-OG1 3.3Å; M551-T556 WeakPolarHBondContact CA-OG1 3.4Å; M551-T556 HydrophobicContact CB-CG2 4.45Å; M551-T556 WeakPolarHBondContact CB-OG1 3.45Å; M551-T556 VanDerWaalsContact O-CB 3.23Å; M551-T556 WeakPolarHBondContact O-CB 3.44Å; M551-T556 PolarHBondContact O-N 3.38Å; M551-T556 VanDerWaalsContact O-N 3.08Å; M551-T556 PolarHBondContact O-OG1 3.45Å; T556-E558 VanDerWaalsContact C-N 3.34Å; T556-E558 PolarHBondContact O-N 3.41Å; T556-S559 WeakPolarHBondContact CA-OG 3.31Å; T556-S559 PolarHBondContact O-N 3.07Å; T556-S559 PolarHBondContact O-OG 2.95Å; T556-L560 HydrophobicContact CG2-CD1 3.89Å; T556-L560 HydrophobicContact CG2-CG 4.01Å; T556-L560 WeakPolarHBondContact O-CB 3.45Å; T556-L560 VanDerWaalsContact O-CG 3.26Å; T556-L560 WeakPolarHBondContact O-CG 3.48Å; T556-L560 PolarHBondContact O-N 3.14Å; T556-I581 HydrophobicContact CG2-CD1 3.49Å; T556-I581 VanDerWaalsContact CG2-CD1 3.49Å
557	K	85.4	Confident	84.6	Confident	78 Å²	78	51.8 Å²	51.8	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-58.7	-43.1	177.5	-166.9	176.5	-174.7	176.9	0	112.4	G555 L560 V561 I581 E585	G555-K557 PolarHBondContact O-N 2.99Å; G555-K557 VanDerWaalsContact O-N 3.16Å; K557-L560 PolarHBondContact O-N 2.86Å; K557-V561 VanDerWaalsContact O-CG2 3.29Å; K557-V561 WeakPolarHBondContact O-CG2 3.42Å; K557-V561 PolarHBondContact O-N 3.27Å; K557-I581 HydrophobicContact CB-CG2 4.37Å; K557-E585 IonicContact NZ-OE1 2.73Å; K557-E585 IonicContact NZ-OE2 2.95Å; K557-E585 PolarHBondContact NZ-OE2 3.05Å
558	E	85.5	Confident	83.9	Confident	134 Å²	134	53.9 Å²	53.9	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-69.5	-39.2	179.8	-62.9	-178.5	-173	0	0	112.1	G555 T556 V561 K562	G555-E558 PolarHBondContact O-N 3.11Å; G555-E558 VanDerWaalsContact O-N 3.12Å; T556-E558 VanDerWaalsContact C-N 3.34Å; T556-E558 PolarHBondContact O-N 3.41Å; E558-V561 PolarHBondContact O-N 2.89Å; E558-K562 VanDerWaalsContact O-CG 3.3Å; E558-K562 WeakPolarHBondContact O-CG 3.48Å; E558-K562 PolarHBondContact O-N 2.72Å
559	S	84.6	Confident	82.8	Confident	10 Å²	10	60.4 Å²	60.4	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-69.8	-35.6	177.5	53.8	0	0	0	0	112	M520 G555 T556 K562 A563	M520-S559 WeakPolarHBondContact CE-OG 3.22Å; G555-S559 PolarHBondContact O-N 2.85Å; T556-S559 WeakPolarHBondContact CA-OG 3.31Å; T556-S559 PolarHBondContact O-N 3.07Å; T556-S559 PolarHBondContact O-OG 2.95Å; S559-K562 PolarHBondContact O-N 3.22Å; S559-A563 WeakPolarHBondContact O-CB 3.3Å; S559-A563 PolarHBondContact O-N 2.92Å
560	L	86	Confident	81.9	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-41.3	171.9	-70.1	174.8	0	0	0	112.5	I534 T556 K557 A563 L564 V574 L577 R578 I581	I534-L560 HydrophobicContact CD1-CD2 4.41Å; I534-L560 HydrophobicContact CG1-CD2 4.09Å; T556-L560 HydrophobicContact CG2-CD1 3.89Å; T556-L560 HydrophobicContact CG2-CG 4.01Å; T556-L560 WeakPolarHBondContact O-CB 3.45Å; T556-L560 VanDerWaalsContact O-CG 3.26Å; T556-L560 WeakPolarHBondContact O-CG 3.48Å; T556-L560 PolarHBondContact O-N 3.14Å; K557-L560 PolarHBondContact O-N 2.86Å; L560-A563 PolarHBondContact O-N 3.43Å; L560-L564 WeakPolarHBondContact O-CB 3.27Å; L560-L564 PolarHBondContact O-N 3.46Å; L560-V574 HydrophobicContact CD2-CG1 4.43Å; L560-L577 HydrophobicContact CD1-CD2 4.04Å; L560-L577 HydrophobicContact CD1-CG 3.91Å; L560-L577 HydrophobicContact CD2-CD2 4.03Å; L560-R578 HydrophobicContact CD1-CB 4.37Å; L560-I581 HydrophobicContact CD1-CD1 3.73Å
561	V	85.6	Confident	81.7	Confident	64 Å²	64	62.7 Å²	62.7	39%	0.388	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-48.3	174.4	170.5	0	0	0	0	110.2	K557 E558 A563 L564 D565	K557-V561 VanDerWaalsContact O-CG2 3.29Å; K557-V561 WeakPolarHBondContact O-CG2 3.42Å; K557-V561 PolarHBondContact O-N 3.27Å; E558-V561 PolarHBondContact O-N 2.89Å; V561-A563 VanDerWaalsContact C-N 3.28Å; V561-A563 PolarHBondContact O-N 3.46Å; V561-L564 WeakPolarHBondContact O-CB 3.37Å; V561-L564 PolarHBondContact O-N 2.76Å; V561-L564 VanDerWaalsContact O-N 3.14Å; V561-D565 WeakPolarHBondContact O-CB 3.26Å; V561-D565 PolarHBondContact O-N 3.13Å
562	K	85.9	Confident	81.3	Confident	112 Å²	112	68.4 Å²	68.4	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-59.4	-37.3	176.3	-69.8	170.7	-177.3	171.5	0	112.7	I524 E558 S559 K566	I524-K562 HydrophobicContact CD1-CB 3.64Å; E558-K562 VanDerWaalsContact O-CG 3.3Å; E558-K562 WeakPolarHBondContact O-CG 3.48Å; E558-K562 PolarHBondContact O-N 2.72Å; S559-K562 PolarHBondContact O-N 3.22Å; K562-K566 PolarHBondContact O-N 2.83Å
563	A	83.7	Confident	81.1	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.008	36%	0.356	C	S	.	.	H	α-helix	trans	-69.9	-40.2	176.7	0	0	0	0	0	111.9	V530 S559 L560 V561 K566 H567 L571	V530-A563 HydrophobicContact CG1-CB 4.19Å; S559-A563 WeakPolarHBondContact O-CB 3.3Å; S559-A563 PolarHBondContact O-N 2.92Å; L560-A563 PolarHBondContact O-N 3.43Å; V561-A563 VanDerWaalsContact C-N 3.28Å; V561-A563 PolarHBondContact O-N 3.46Å; A563-K566 PolarHBondContact O-N 3.5Å; A563-H567 PolarHBondContact O-N 3.39Å; A563-L571 HydrophobicContact CB-CD1 4.37Å
564	L	84.3	Confident	81.3	Confident	57 Å²	57	61.7 Å²	61.7	30%	0.298	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-43	176.5	-161.7	89.2	0	0	0	111.6	L560 V561 K566 S568 V574	L560-L564 WeakPolarHBondContact O-CB 3.27Å; L560-L564 PolarHBondContact O-N 3.46Å; V561-L564 WeakPolarHBondContact O-CB 3.37Å; V561-L564 PolarHBondContact O-N 2.76Å; V561-L564 VanDerWaalsContact O-N 3.14Å; L564-K566 VanDerWaalsContact C-N 3.25Å; L564-K566 PolarHBondContact O-N 2.83Å; L564-S568 WeakPolarHBondContact O-CA 3.31Å; L564-S568 PolarHBondContact O-N 3.44Å; L564-V574 HydrophobicContact CD1-CB 4.46Å; L564-V574 HydrophobicContact CD1-CG1 3.72Å
565	D	84.4	Confident	81.3	Confident	122 Å²	122	61.7 Å²	61.7	65%	0.652	33%	0.331	S	S	*	.	H	α-helix	trans	-61.3	-34.7	178.3	-69.6	-18.8	0	0	0	111.9	V561	V561-D565 WeakPolarHBondContact O-CB 3.26Å; V561-D565 PolarHBondContact O-N 3.13Å
566	K	84	Confident	81.4	Confident	118 Å²	118	64.7 Å²	64.7	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-84	-42.5	179.7	-78.7	-166.7	170.9	-170.3	0	114.3	I524 N525 K562 A563 L564	I524-K566 HydrophobicContact CB-CD 4.42Å; I524-K566 HydrophobicContact CD1-CD 4.15Å; I524-K566 HydrophobicContact CG1-CD 3.96Å; I524-K566 HydrophobicContact CG2-CD 3.84Å; N525-K566 PolarHBondContact OD1-NZ 3.36Å; K562-K566 PolarHBondContact O-N 2.83Å; A563-K566 PolarHBondContact O-N 3.5Å; L564-K566 VanDerWaalsContact C-N 3.25Å; L564-K566 PolarHBondContact O-N 2.83Å
567	H	80.6	Confident	81.4	Confident	32 Å²	32	64.7 Å²	64.7	15%	0.148	34%	0.338	C	S	.	.	H	α-helix	trans	-104.9	-8	-170.3	-68.1	-72.5	0	0	0	114.6	I524 A563 L571	I524-H567 PolarHBondContact O-NE2 2.76Å; A563-H567 PolarHBondContact O-N 3.39Å; H567-L571 HydrophobicContact CB-CD1 3.76Å; H567-L571 HydrophobicContact CB-CD2 4.35Å; H567-L571 HydrophobicContact CB-CG 3.89Å
568	S	70.7	Confident	81.4	Confident	64 Å²	64	64.6 Å²	64.6	45%	0.448	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	50.6	-163.3	-177.5	70.1	0	0	0	0	113.5	L564 N570	L564-S568 WeakPolarHBondContact O-CA 3.31Å; L564-S568 PolarHBondContact O-N 3.44Å; S568-N570 PolarHBondContact O-N 3.01Å
569	T	62.9	Low	81.5	Confident	136 Å²	136	61.9 Å²	61.9	83%	0.834	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-59.6	8.5	-169.1	51	0	0	0	0	116.8
570	N	66.3	Low	81.6	Confident	90 Å²	90	63.5 Å²	63.5	48%	0.481	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-92.1	1.9	-175.7	-66.8	-34.3	0	0	0	114.4	R527 S568	R527-N570 PolarHBondContact NH2-O 3.07Å; S568-N570 PolarHBondContact O-N 3.01Å
571	L	78.6	Confident	81.7	Confident	14 Å²	14	63.5 Å²	63.5	7%	0.073	33%	0.332	C	S	.	.	S	Bend	trans	-98	119.8	175	-64.4	173.2	0	0	0	110.6	R527 V530 Q531 I534 A563 H567 V574	R527-L571 HydrophobicContact CG-CD2 4.37Å; V530-L571 HydrophobicContact CG1-CD1 4.19Å; V530-L571 HydrophobicContact CG1-CD2 4.24Å; Q531-L571 HydrophobicContact CB-CD2 4.28Å; Q531-L571 VanDerWaalsContact OE1-CA 3.27Å; I534-L571 HydrophobicContact CD1-CD1 3.92Å; A563-L571 HydrophobicContact CB-CD1 4.37Å; H567-L571 HydrophobicContact CB-CD1 3.76Å; H567-L571 HydrophobicContact CB-CD2 4.35Å; H567-L571 HydrophobicContact CB-CG 3.89Å; L571-V574 HydrophobicContact CB-CB 4.31Å; L571-V574 HydrophobicContact CB-CG2 3.31Å; L571-V574 HydrophobicContact CD1-CG2 3.99Å; L571-V574 HydrophobicContact CG-CG2 4.27Å
572	L	78.4	Confident	81.7	Confident	120 Å²	120	62.3 Å²	62.3	63%	0.628	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	144.1	178.4	-58.9	171.7	0	0	0	110.3	Q531 V574	Q531-L572 PolarHBondContact NE2-O 2.98Å; L572-V574 PolarHBondContact O-N 3.44Å; L572-V574 VanDerWaalsContact O-N 3.14Å
573	L	82.1	Confident	81.7	Confident	42 Å²	42	62.9 Å²	62.9	22%	0.22	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	1	176.2	-53.1	168.5	0	0	0	116.2	R535 Y538 E576 L577	R535-L573 HydrophobicContact CG-CD1 4.27Å; Y538-L573 HydrophobicContact CD1-CB 4.42Å; Y538-L573 HydrophobicContact CD1-CD1 3.82Å; Y538-L573 HydrophobicContact CD1-CD2 4.28Å; Y538-L573 HydrophobicContact CD1-CG 4.4Å; Y538-L573 HydrophobicContact CD2-CB 4.45Å; Y538-L573 HydrophobicContact CE1-CD1 4.26Å; Y538-L573 HydrophobicContact CE1-CD2 3.99Å; Y538-L573 HydrophobicContact CG-CB 4.17Å; Y538-L573 HydrophobicContact CG-CD1 4.31Å; L573-E576 VanDerWaalsContact CD2-OE2 3.31Å; L573-E576 WeakPolarHBondContact CD2-OE2 3.31Å; L573-E576 PolarHBondContact O-N 3.12Å; L573-L577 WeakPolarHBondContact O-CB 3.27Å; L573-L577 PolarHBondContact O-N 3.48Å
574	V	84.5	Confident	81.7	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.018	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-42.7	179.9	176.7	0	0	0	0	112.3	I534 L560 L564 L571 L572 R578	I534-V574 HydrophobicContact CB-CG2 4.4Å; I534-V574 HydrophobicContact CD1-CG2 3.31Å; I534-V574 HydrophobicContact CG1-CG2 4.16Å; I534-V574 HydrophobicContact CG2-CG2 3.6Å; L560-V574 HydrophobicContact CD2-CG1 4.43Å; L564-V574 HydrophobicContact CD1-CB 4.46Å; L564-V574 HydrophobicContact CD1-CG1 3.72Å; L571-V574 HydrophobicContact CB-CB 4.31Å; L571-V574 HydrophobicContact CB-CG2 3.31Å; L571-V574 HydrophobicContact CD1-CG2 3.99Å; L571-V574 HydrophobicContact CG-CG2 4.27Å; L572-V574 PolarHBondContact O-N 3.44Å; L572-V574 VanDerWaalsContact O-N 3.14Å; V574-R578 VanDerWaalsContact O-CB 3.25Å; V574-R578 WeakPolarHBondContact O-CB 3.38Å; V574-R578 PolarHBondContact O-N 2.86Å
575	T	83.3	Confident	81.7	Confident	70 Å²	70	64 Å²	64	43%	0.429	34%	0.34	S	S	.	.	H	α-helix	trans	-65.6	-45.4	178.3	49.4	0	0	0	0	110.5	L577 R578 D579	T575-L577 PolarHBondContact O-N 3.03Å; T575-R578 PolarHBondContact O-N 3.27Å; T575-D579 WeakPolarHBondContact O-CB 3.24Å; T575-D579 PolarHBondContact O-N 2.77Å
576	E	85.9	Confident	81.6	Confident	90 Å²	90	66.3 Å²	66.3	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-44	179.1	-59.8	177.6	-155.8	0	0	112.1	Y538 L573 D579 L580	Y538-E576 HydrophobicContact CD2-CB 4.22Å; Y538-E576 HydrophobicContact CE2-CB 3.56Å; Y538-E576 PolarHBondContact OH-OE2 2.97Å; L573-E576 VanDerWaalsContact CD2-OE2 3.31Å; L573-E576 WeakPolarHBondContact CD2-OE2 3.31Å; L573-E576 PolarHBondContact O-N 3.12Å; E576-D579 PolarHBondContact O-N 3.5Å; E576-L580 WeakPolarHBondContact O-CB 3.5Å; E576-L580 PolarHBondContact O-N 2.91Å
577	L	86.8	Confident	81.3	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-44.2	174.7	177.2	55.4	0	0	0	111.4	I534 L537 Y538 A541 M551 L560 L573 T575 D579 L580 I581	I534-L577 HydrophobicContact CG2-CD2 4.41Å; L537-L577 HydrophobicContact CB-CD2 3.86Å; Y538-L577 HydrophobicContact CD2-CB 4.01Å; A541-L577 HydrophobicContact CB-CD1 4.04Å; M551-L577 HydrophobicContact SD-CD1 4.46Å; L560-L577 HydrophobicContact CD1-CD2 4.04Å; L560-L577 HydrophobicContact CD1-CG 3.91Å; L560-L577 HydrophobicContact CD2-CD2 4.03Å; L573-L577 WeakPolarHBondContact O-CB 3.27Å; L573-L577 PolarHBondContact O-N 3.48Å; T575-L577 PolarHBondContact O-N 3.03Å; L577-D579 VanDerWaalsContact C-N 3.31Å; L577-D579 PolarHBondContact O-N 2.82Å; L577-L580 PolarHBondContact O-N 3.27Å; L577-I581 HydrophobicContact CD1-CD1 3.65Å; L577-I581 HydrophobicContact CD1-CG1 4Å; L577-I581 HydrophobicContact CG-CD1 3.78Å; L577-I581 WeakPolarHBondContact O-CB 3.47Å; L577-I581 WeakPolarHBondContact O-CG1 3.45Å; L577-I581 PolarHBondContact O-N 2.79Å
578	R	85.9	Confident	81	Confident	76 Å²	76	66.3 Å²	66.3	29%	0.287	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-41.3	177.8	-176	-164.5	67.1	-144.3	-7.1	111.4	L560 V574 T575 S582	L560-R578 HydrophobicContact CD1-CB 4.37Å; V574-R578 VanDerWaalsContact O-CB 3.25Å; V574-R578 WeakPolarHBondContact O-CB 3.38Å; V574-R578 PolarHBondContact O-N 2.86Å; T575-R578 PolarHBondContact O-N 3.27Å; R578-S582 WeakPolarHBondContact O-CB 3.36Å; R578-S582 PolarHBondContact O-N 3.16Å; R578-S582 PolarHBondContact O-OG 3.48Å
579	D	86.6	Confident	81.3	Confident	77 Å²	77	66.9 Å²	66.9	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-69.6	-42.9	-178.5	-61.9	-13.9	0	0	0	110.1	T575 E576 L577 I581 S582 D583	T575-D579 WeakPolarHBondContact O-CB 3.24Å; T575-D579 PolarHBondContact O-N 2.77Å; E576-D579 PolarHBondContact O-N 3.5Å; L577-D579 VanDerWaalsContact C-N 3.31Å; L577-D579 PolarHBondContact O-N 2.82Å; D579-I581 PolarHBondContact O-N 2.84Å; D579-S582 WeakPolarHBondContact O-CB 3.21Å; D579-S582 PolarHBondContact O-N 2.93Å; D579-S582 VanDerWaalsContact O-N 3.07Å; D579-D583 PolarHBondContact O-N 3.42Å
580	L	87.3	Confident	81.8	Confident	43 Å²	43	65.6 Å²	65.6	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-40.9	174.9	-167.2	153.5	0	0	0	112.6	A541 A548 E576 L577 S582 D583 C584	A541-L580 HydrophobicContact CB-CD2 3.79Å; A548-L580 HydrophobicContact CB-CD2 3.46Å; A548-L580 VanDerWaalsContact CB-CD2 3.46Å; E576-L580 WeakPolarHBondContact O-CB 3.5Å; E576-L580 PolarHBondContact O-N 2.91Å; L577-L580 PolarHBondContact O-N 3.27Å; L580-S582 VanDerWaalsContact C-N 3.32Å; L580-D583 PolarHBondContact O-N 2.89Å; L580-C584 PolarHBondContact O-N 2.9Å
581	I	87.5	Confident	81.9	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-39.5	172.3	-73.6	170.7	0	0	0	111	M551 C552 T556 K557 L560 L577 D579 D583 C584 E585	M551-I581 HydrophobicContact CB-CD1 4.46Å; C552-I581 WeakPolarHBondContact SG-CG2 3.27Å; C552-I581 PolarHBondContact SG-O 3.26Å; T556-I581 HydrophobicContact CG2-CD1 3.49Å; T556-I581 VanDerWaalsContact CG2-CD1 3.49Å; K557-I581 HydrophobicContact CB-CG2 4.37Å; L560-I581 HydrophobicContact CD1-CD1 3.73Å; L577-I581 HydrophobicContact CD1-CD1 3.65Å; L577-I581 HydrophobicContact CD1-CG1 4Å; L577-I581 HydrophobicContact CG-CD1 3.78Å; L577-I581 WeakPolarHBondContact O-CB 3.47Å; L577-I581 WeakPolarHBondContact O-CG1 3.45Å; L577-I581 PolarHBondContact O-N 2.79Å; D579-I581 PolarHBondContact O-N 2.84Å; I581-D583 VanDerWaalsContact C-N 3.32Å; I581-D583 PolarHBondContact O-N 3.15Å; I581-C584 PolarHBondContact O-N 3.35Å; I581-E585 PolarHBondContact O-N 3.37Å; I581-E585 VanDerWaalsContact O-N 3.11Å
582	S	86.3	Confident	81.5	Confident	40 Å²	40	72.4 Å²	72.4	28%	0.28	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-37.3	179.7	-59.9	0	0	0	0	111.6	R578 D579 L580 C584 E585	R578-S582 WeakPolarHBondContact O-CB 3.36Å; R578-S582 PolarHBondContact O-N 3.16Å; R578-S582 PolarHBondContact O-OG 3.48Å; D579-S582 WeakPolarHBondContact O-CB 3.21Å; D579-S582 PolarHBondContact O-N 2.93Å; D579-S582 VanDerWaalsContact O-N 3.07Å; L580-S582 VanDerWaalsContact C-N 3.32Å; S582-C584 VanDerWaalsContact C-N 3.3Å; S582-C584 PolarHBondContact O-N 2.91Å; S582-E585 VanDerWaalsContact O-CB 3.28Å; S582-E585 WeakPolarHBondContact O-CB 3.47Å; S582-E585 PolarHBondContact O-N 3.32Å
583	D	85.4	Confident	81.2	Confident	124 Å²	124	73.6 Å²	73.6	66%	0.663	35%	0.35	S	S	*	.	H	α-helix	trans	-64.3	-35.6	173.5	-72	-21.1	0	0	0	112.3	D579 L580 I581 E585	D579-D583 PolarHBondContact O-N 3.42Å; L580-D583 PolarHBondContact O-N 2.89Å; I581-D583 VanDerWaalsContact C-N 3.32Å; I581-D583 PolarHBondContact O-N 3.15Å; D583-E585 VanDerWaalsContact C-N 3.34Å
584	C	84.9	Confident	80.5	Confident	8 Å²	8	76.2 Å²	76.2	5%	0.054	36%	0.363	C	S	.	.	H	α-helix	trans	-80	-9.4	178.8	-73.7	0	0	0	0	114.6	A548 V549 L580 I581 S582 K586 Y587 A588	A548-C584 HydrophobicContact CB-CB 4.21Å; V549-C584 HydrophobicContact CG2-CB 4.05Å; L580-C584 PolarHBondContact O-N 2.9Å; I581-C584 PolarHBondContact O-N 3.35Å; S582-C584 VanDerWaalsContact C-N 3.3Å; S582-C584 PolarHBondContact O-N 2.91Å; C584-K586 VanDerWaalsContact C-N 3.26Å; C584-K586 PolarHBondContact O-N 3.28Å; C584-Y587 PolarHBondContact O-N 3.24Å; C584-Y587 VanDerWaalsContact O-N 3.12Å; C584-A588 PolarHBondContact O-N 3.3Å
585	E	83.3	Confident	79.6	Confident	72 Å²	72	79.2 Å²	79.2	34%	0.336	38%	0.381	S	S	.	.	H	α-helix	trans	-61.1	-33.6	-177.1	-169	167.5	-174.5	0	0	112.5	K557 I581 S582 D583 A588 N589	K557-E585 IonicContact NZ-OE1 2.73Å; K557-E585 IonicContact NZ-OE2 2.95Å; K557-E585 PolarHBondContact NZ-OE2 3.05Å; I581-E585 PolarHBondContact O-N 3.37Å; I581-E585 VanDerWaalsContact O-N 3.11Å; S582-E585 VanDerWaalsContact O-CB 3.28Å; S582-E585 WeakPolarHBondContact O-CB 3.47Å; S582-E585 PolarHBondContact O-N 3.32Å; D583-E585 VanDerWaalsContact C-N 3.34Å; E585-A588 PolarHBondContact O-N 3.28Å; E585-N589 VanDerWaalsContact O-CB 3.31Å; E585-N589 WeakPolarHBondContact O-CB 3.05Å; E585-N589 VanDerWaalsContact O-CG 3.25Å; E585-N589 PolarHBondContact O-N 2.92Å; E585-N589 PolarHBondContact O-ND2 3.21Å; E585-N589 VanDerWaalsContact O-ND2 3.08Å
586	K	82.9	Confident	79	Confident	172 Å²	172	79.8 Å²	79.8	75%	0.748	39%	0.385	S	S	*	.	H	α-helix	trans	-62.3	-43.9	175.7	-66.2	177.4	-175.2	169.7	0	111.8	C584 N589 L590	C584-K586 VanDerWaalsContact C-N 3.26Å; C584-K586 PolarHBondContact O-N 3.28Å; K586-N589 PolarHBondContact O-N 3.34Å; K586-L590 PolarHBondContact O-N 3.13Å
587	Y	77	Confident	78.3	Confident	143 Å²	143	79.4 Å²	79.4	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-70.8	-43.3	179.1	-61	-76.7	0	0	0	111.3	C584 N589 L590 Y591	C584-Y587 PolarHBondContact O-N 3.24Å; C584-Y587 VanDerWaalsContact O-N 3.12Å; Y587-N589 VanDerWaalsContact C-N 3.28Å; Y587-N589 PolarHBondContact O-N 2.89Å; Y587-L590 WeakPolarHBondContact O-CB 3.26Å; Y587-L590 PolarHBondContact O-N 2.79Å; Y587-L590 VanDerWaalsContact O-N 3.07Å; Y587-Y591 VanDerWaalsContact O-CD2 3.25Å; Y587-Y591 WeakPolarHBondContact O-CD2 3.41Å; Y587-Y591 PolarHBondContact O-N 2.8Å
588	A	74.9	Confident	77.7	Confident	7 Å²	7	83.6 Å²	83.6	6%	0.058	42%	0.417	C	S	.	.	H	α-helix	trans	-58.2	-41.8	174.9	0	0	0	0	0	112.1	V549 C552 R553 C584 E585 Y591 K592	V549-A588 HydrophobicContact CG1-CB 4.11Å; C552-A588 HydrophobicContact CB-CB 3.62Å; R553-A588 HydrophobicContact CG-CB 4.13Å; C584-A588 PolarHBondContact O-N 3.3Å; E585-A588 PolarHBondContact O-N 3.28Å; A588-Y591 PolarHBondContact O-N 2.84Å; A588-K592 WeakPolarHBondContact O-CB 3.47Å; A588-K592 PolarHBondContact O-N 3.46Å
589	N	76.9	Confident	77	Confident	76 Å²	76	82.5 Å²	82.5	41%	0.406	42%	0.417	S	S	.	.	H	α-helix	trans	-66.3	-37.9	174.3	-76.8	-35.1	0	0	0	112.6	E585 K586 Y587 K592 K593	E585-N589 VanDerWaalsContact O-CB 3.31Å; E585-N589 WeakPolarHBondContact O-CB 3.05Å; E585-N589 VanDerWaalsContact O-CG 3.25Å; E585-N589 PolarHBondContact O-N 2.92Å; E585-N589 PolarHBondContact O-ND2 3.21Å; E585-N589 VanDerWaalsContact O-ND2 3.08Å; K586-N589 PolarHBondContact O-N 3.34Å; Y587-N589 VanDerWaalsContact C-N 3.28Å; Y587-N589 PolarHBondContact O-N 2.89Å; N589-K592 PolarHBondContact O-N 3.02Å; N589-K593 WeakPolarHBondContact O-CB 3.25Å; N589-K593 VanDerWaalsContact O-CG 3.27Å; N589-K593 WeakPolarHBondContact O-CG 3.17Å; N589-K593 PolarHBondContact O-N 2.89Å
590	L	74.1	Confident	76.3	Confident	109 Å²	109	81.1 Å²	81.1	57%	0.571	42%	0.416	S	S	*	.	H	α-helix	trans	-63.8	-46.6	174.1	-175.6	68.1	0	0	0	111.3	K586 Y587 K592 K593 M594	K586-L590 PolarHBondContact O-N 3.13Å; Y587-L590 WeakPolarHBondContact O-CB 3.26Å; Y587-L590 PolarHBondContact O-N 2.79Å; Y587-L590 VanDerWaalsContact O-N 3.07Å; L590-K592 VanDerWaalsContact C-N 3.35Å; L590-K592 PolarHBondContact O-N 3.43Å; L590-K593 PolarHBondContact O-N 3.49Å; L590-M594 VanDerWaalsContact O-CB 3.31Å; L590-M594 WeakPolarHBondContact O-CB 3.38Å; L590-M594 PolarHBondContact O-N 2.87Å
591	Y	66.8	Low	75.9	Confident	104 Å²	104	80.9 Å²	80.9	41%	0.408	42%	0.424	S	S	.	.	H	α-helix	trans	-58.7	-46.1	175	-85.8	-74.9	0	0	0	111.5	V549 Y587 A588 K593 M594 T595	V549-Y591 HydrophobicContact CG1-CD2 3.93Å; V549-Y591 HydrophobicContact CG1-CE2 4.29Å; Y587-Y591 VanDerWaalsContact O-CD2 3.25Å; Y587-Y591 WeakPolarHBondContact O-CD2 3.41Å; Y587-Y591 PolarHBondContact O-N 2.8Å; A588-Y591 PolarHBondContact O-N 2.84Å; Y591-K593 VanDerWaalsContact C-N 3.35Å; Y591-K593 PolarHBondContact O-N 3.36Å; Y591-M594 HydrophobicContact CD1-CE 3.74Å; Y591-M594 HydrophobicContact CE1-CE 3.93Å; Y591-M594 PolarHBondContact O-N 2.87Å; Y591-T595 WeakPolarHBondContact O-CB 3.35Å; Y591-T595 PolarHBondContact O-N 2.84Å; Y591-T595 PolarHBondContact O-OG1 2.98Å
592	K	70.8	Confident	75.6	Confident	143 Å²	143	82.7 Å²	82.7	62%	0.622	44%	0.436	S	S	*	.	H	α-helix	trans	-57.7	-47.5	175.6	-173.7	177	-179.7	177.5	0	111.3	A588 N589 L590 T596	A588-K592 WeakPolarHBondContact O-CB 3.47Å; A588-K592 PolarHBondContact O-N 3.46Å; N589-K592 PolarHBondContact O-N 3.02Å; L590-K592 VanDerWaalsContact C-N 3.35Å; L590-K592 PolarHBondContact O-N 3.43Å; K592-T596 WeakPolarHBondContact O-CG2 3.49Å; K592-T596 PolarHBondContact O-N 3.26Å; K592-T596 PolarHBondContact O-OG1 3.34Å; K592-T596 VanDerWaalsContact O-OG1 3.07Å
593	K	73.2	Confident	75.2	Confident	144 Å²	144	81.5 Å²	81.5	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-64	-40.5	177.6	-75.5	177.8	-179.4	-176	0	112.5	N589 L590 Y591 T596 S597	N589-K593 WeakPolarHBondContact O-CB 3.25Å; N589-K593 VanDerWaalsContact O-CG 3.27Å; N589-K593 WeakPolarHBondContact O-CG 3.17Å; N589-K593 PolarHBondContact O-N 2.89Å; L590-K593 PolarHBondContact O-N 3.49Å; Y591-K593 VanDerWaalsContact C-N 3.35Å; Y591-K593 PolarHBondContact O-N 3.36Å; K593-T596 VanDerWaalsContact C-OG1 3.29Å; K593-T596 VanDerWaalsContact CA-OG1 3.26Å; K593-T596 WeakPolarHBondContact CA-OG1 3.44Å; K593-T596 PolarHBondContact O-N 3.34Å; K593-T596 PolarHBondContact O-OG1 2.96Å; K593-S597 VanDerWaalsContact O-CB 3.27Å; K593-S597 WeakPolarHBondContact O-CB 3.47Å; K593-S597 PolarHBondContact O-N 3.06Å
594	M	66.3	Low	75	Confident	98 Å²	98	79.9 Å²	79.9	48%	0.483	42%	0.415	S	S	.	.	H	α-helix	trans	-66.2	-47.9	178	-176	176.4	69.1	0	0	110.8	L590 Y591 T596 S597 V598	L590-M594 VanDerWaalsContact O-CB 3.31Å; L590-M594 WeakPolarHBondContact O-CB 3.38Å; L590-M594 PolarHBondContact O-N 2.87Å; Y591-M594 HydrophobicContact CD1-CE 3.74Å; Y591-M594 HydrophobicContact CE1-CE 3.93Å; Y591-M594 PolarHBondContact O-N 2.87Å; M594-T596 VanDerWaalsContact C-N 3.32Å; M594-T596 PolarHBondContact O-N 3.31Å; M594-S597 PolarHBondContact O-N 2.92Å; M594-S597 VanDerWaalsContact O-N 3.13Å; M594-V598 HydrophobicContact CG-CG2 4.38Å; M594-V598 WeakPolarHBondContact O-CB 3.38Å; M594-V598 VanDerWaalsContact O-CG2 3.31Å; M594-V598 WeakPolarHBondContact O-CG2 3.39Å; M594-V598 PolarHBondContact O-N 2.91Å
595	T	66.1	Low	75.1	Confident	66 Å²	66	84.2 Å²	84.2	41%	0.405	44%	0.436	S	S	.	.	H	α-helix	trans	-58.6	-44	175.1	-55.5	0	0	0	0	111.1	Y591 S597 V598 L599	Y591-T595 WeakPolarHBondContact O-CB 3.35Å; Y591-T595 PolarHBondContact O-N 2.84Å; Y591-T595 PolarHBondContact O-OG1 2.98Å; T595-S597 PolarHBondContact O-N 3.16Å; T595-V598 PolarHBondContact O-N 2.74Å; T595-L599 HydrophobicContact CG2-CD1 3.95Å; T595-L599 WeakPolarHBondContact O-CB 3.41Å; T595-L599 WeakPolarHBondContact O-CD1 3.27Å; T595-L599 VanDerWaalsContact O-CG 3.27Å; T595-L599 WeakPolarHBondContact O-CG 3.48Å; T595-L599 PolarHBondContact O-N 2.93Å
596	T	69.6	Low	75.2	Confident	82 Å²	82	80.9 Å²	80.9	50%	0.503	42%	0.42	S	S	.	.	H	α-helix	trans	-65	-38.2	175.3	51.7	0	0	0	0	112.7	K592 K593 M594 A600	K592-T596 WeakPolarHBondContact O-CG2 3.49Å; K592-T596 PolarHBondContact O-N 3.26Å; K592-T596 PolarHBondContact O-OG1 3.34Å; K592-T596 VanDerWaalsContact O-OG1 3.07Å; K593-T596 VanDerWaalsContact C-OG1 3.29Å; K593-T596 VanDerWaalsContact CA-OG1 3.26Å; K593-T596 WeakPolarHBondContact CA-OG1 3.44Å; K593-T596 PolarHBondContact O-N 3.34Å; K593-T596 PolarHBondContact O-OG1 2.96Å; M594-T596 VanDerWaalsContact C-N 3.32Å; M594-T596 PolarHBondContact O-N 3.31Å; T596-A600 VanDerWaalsContact O-CB 3.27Å; T596-A600 WeakPolarHBondContact O-CB 3.42Å; T596-A600 PolarHBondContact O-N 2.99Å
597	S	71.5	Confident	75.3	Confident	82 Å²	82	72.8 Å²	72.8	57%	0.573	39%	0.385	S	S	*	.	H	α-helix	trans	-69.2	-40.3	178.9	-173.3	0	0	0	0	112.1	K593 M594 T595 A600 G601	K593-S597 VanDerWaalsContact O-CB 3.27Å; K593-S597 WeakPolarHBondContact O-CB 3.47Å; K593-S597 PolarHBondContact O-N 3.06Å; M594-S597 PolarHBondContact O-N 2.92Å; M594-S597 VanDerWaalsContact O-N 3.13Å; T595-S597 PolarHBondContact O-N 3.16Å; S597-A600 PolarHBondContact O-N 3.4Å; S597-G601 PolarHBondContact O-N 2.86Å
598	V	74.1	Confident	75.7	Confident	88 Å²	88	67.2 Å²	67.2	53%	0.533	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-46.8	175.9	171.8	0	0	0	0	109.9	M594 T595 A600 G601 C602	M594-V598 HydrophobicContact CG-CG2 4.38Å; M594-V598 WeakPolarHBondContact O-CB 3.38Å; M594-V598 VanDerWaalsContact O-CG2 3.31Å; M594-V598 WeakPolarHBondContact O-CG2 3.39Å; M594-V598 PolarHBondContact O-N 2.91Å; T595-V598 PolarHBondContact O-N 2.74Å; V598-A600 VanDerWaalsContact C-N 3.35Å; V598-A600 PolarHBondContact O-N 3.15Å; V598-G601 CarbonylContact O-C 3.55Å; V598-G601 WeakPolarHBondContact O-CA 3.34Å; V598-G601 PolarHBondContact O-N 2.8Å; V598-G601 VanDerWaalsContact O-N 3.12Å; V598-C602 PolarHBondContact O-N 2.78Å; V598-C602 PolarHBondContact O-SG 2.87Å
599	L	71.5	Confident	76.3	Confident	53 Å²	53	70.4 Å²	70.4	28%	0.277	39%	0.385	S	S	.	.	H	α-helix	trans	-59.3	-44.2	175.3	-76.2	165.8	0	0	0	112.1	T595 G601 C602 I603 F778	T595-L599 HydrophobicContact CG2-CD1 3.95Å; T595-L599 WeakPolarHBondContact O-CB 3.41Å; T595-L599 WeakPolarHBondContact O-CD1 3.27Å; T595-L599 VanDerWaalsContact O-CG 3.27Å; T595-L599 WeakPolarHBondContact O-CG 3.48Å; T595-L599 PolarHBondContact O-N 2.93Å; L599-G601 VanDerWaalsContact C-N 3.32Å; L599-G601 PolarHBondContact O-N 2.98Å; L599-C602 PolarHBondContact O-N 3.18Å; L599-I603 WeakPolarHBondContact O-CG1 3.26Å; L599-I603 PolarHBondContact O-N 3.24Å; L599-F778 HydrophobicContact CD1-CE1 4.48Å; L599-F778 HydrophobicContact CD1-CE2 4.35Å; L599-F778 HydrophobicContact CD1-CZ 3.8Å
600	A	73.1	Confident	76.8	Confident	48 Å²	48	66.9 Å²	66.9	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-43	174.1	0	0	0	0	0	111.5	T596 S597 V598 I603 Q604	T596-A600 VanDerWaalsContact O-CB 3.27Å; T596-A600 WeakPolarHBondContact O-CB 3.42Å; T596-A600 PolarHBondContact O-N 2.99Å; S597-A600 PolarHBondContact O-N 3.4Å; V598-A600 VanDerWaalsContact C-N 3.35Å; V598-A600 PolarHBondContact O-N 3.15Å; A600-I603 PolarHBondContact O-N 3.31Å; A600-Q604 WeakPolarHBondContact O-CB 3.41Å; A600-Q604 VanDerWaalsContact O-CG 3.26Å; A600-Q604 WeakPolarHBondContact O-CG 3.38Å; A600-Q604 PolarHBondContact O-N 3.45Å
601	G	78.8	Confident	77.4	Confident	38 Å²	38	63.2 Å²	63.2	39%	0.392	35%	0.346	S	S	.	.	H	α-helix	trans	-59.7	-44.4	173.8	0	0	0	0	0	113.1	S597 V598 L599 Q604 M605	S597-G601 PolarHBondContact O-N 2.86Å; V598-G601 CarbonylContact O-C 3.55Å; V598-G601 WeakPolarHBondContact O-CA 3.34Å; V598-G601 PolarHBondContact O-N 2.8Å; V598-G601 VanDerWaalsContact O-N 3.12Å; L599-G601 VanDerWaalsContact C-N 3.32Å; L599-G601 PolarHBondContact O-N 2.98Å; G601-Q604 PolarHBondContact O-N 3.19Å; G601-M605 WeakPolarHBondContact O-CB 3.39Å; G601-M605 PolarHBondContact O-N 2.88Å
602	C	79.5	Confident	78.4	Confident	39 Å²	39	62.6 Å²	62.6	26%	0.264	35%	0.347	S	S	.	.	H	α-helix	trans	-63.7	-42.5	175.8	-63.9	0	0	0	0	112.1	V598 L599 M605 V606 F628	V598-C602 PolarHBondContact O-N 2.78Å; V598-C602 PolarHBondContact O-SG 2.87Å; L599-C602 PolarHBondContact O-N 3.18Å; C602-M605 PolarHBondContact O-N 3.04Å; C602-V606 WeakPolarHBondContact O-CG2 3.41Å; C602-V606 PolarHBondContact O-N 2.84Å; C602-F628 HydrophobicContact CB-CE1 4.2Å; C602-F628 HydrophobicContact CB-CE2 4.34Å; C602-F628 HydrophobicContact CB-CZ 3.58Å
603	I	78.8	Confident	79.1	Confident	15 Å²	15	56.9 Å²	56.9	8%	0.077	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-45.9	175.1	-72.9	167.1	0	0	0	110.6	L599 A600 M605 V606 L607 L632 F778 F782	L599-I603 WeakPolarHBondContact O-CG1 3.26Å; L599-I603 PolarHBondContact O-N 3.24Å; A600-I603 PolarHBondContact O-N 3.31Å; I603-M605 PolarHBondContact O-N 3.26Å; I603-V606 PolarHBondContact O-N 3.37Å; I603-L607 HydrophobicContact CG2-CD1 3.87Å; I603-L607 HydrophobicContact CG2-CG 4.44Å; I603-L607 WeakPolarHBondContact O-CG 3.34Å; I603-L607 PolarHBondContact O-N 3.12Å; I603-L632 HydrophobicContact CD1-CD2 4.23Å; I603-L632 HydrophobicContact CG1-CD1 4.17Å; I603-L632 HydrophobicContact CG1-CD2 3.98Å; I603-F778 HydrophobicContact CD1-CD1 4.47Å; I603-F782 HydrophobicContact CG2-CD2 4.06Å
604	Q	81.9	Confident	79.8	Confident	91 Å²	91	50.2 Å²	50.2	43%	0.425	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-42.5	177.5	-72.2	-63.6	-33.6	0	0	112.2	A600 G601 L607 G608	A600-Q604 WeakPolarHBondContact O-CB 3.41Å; A600-Q604 VanDerWaalsContact O-CG 3.26Å; A600-Q604 WeakPolarHBondContact O-CG 3.38Å; A600-Q604 PolarHBondContact O-N 3.45Å; G601-Q604 PolarHBondContact O-N 3.19Å; Q604-L607 PolarHBondContact O-N 2.92Å; Q604-G608 PolarHBondContact O-N 2.8Å
605	M	85.3	Confident	80.7	Confident	98 Å²	98	51.9 Å²	51.9	48%	0.483	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-47.3	175.2	-179.2	-171.3	71.7	0	0	111.1	G601 C602 I603 G608 Q609	G601-M605 WeakPolarHBondContact O-CB 3.39Å; G601-M605 PolarHBondContact O-N 2.88Å; C602-M605 PolarHBondContact O-N 3.04Å; I603-M605 PolarHBondContact O-N 3.26Å; M605-G608 PolarHBondContact O-N 3.33Å; M605-Q609 WeakPolarHBondContact O-CG 3.37Å; M605-Q609 PolarHBondContact O-N 2.67Å
606	V	85.3	Confident	81.6	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-48.2	178.3	167.7	0	0	0	0	111.5	C602 I603 G608 Q609 I610 F625 F628 L629 F782	C602-V606 WeakPolarHBondContact O-CG2 3.41Å; C602-V606 PolarHBondContact O-N 2.84Å; I603-V606 PolarHBondContact O-N 3.37Å; V606-G608 VanDerWaalsContact C-N 3.29Å; V606-G608 PolarHBondContact O-N 3.09Å; V606-Q609 PolarHBondContact O-N 3.27Å; V606-Q609 VanDerWaalsContact O-N 3.14Å; V606-I610 HydrophobicContact CG1-CD1 4.02Å; V606-I610 WeakPolarHBondContact O-CG1 3.38Å; V606-I610 PolarHBondContact O-N 2.79Å; V606-F625 HydrophobicContact CB-CE2 4.17Å; V606-F625 HydrophobicContact CG1-CE2 3.75Å; V606-F625 HydrophobicContact CG1-CZ 3.97Å; V606-F625 HydrophobicContact CG2-CD2 4.35Å; V606-F625 HydrophobicContact CG2-CE2 3.97Å; V606-F628 HydrophobicContact CG2-CD1 3.6Å; V606-F628 HydrophobicContact CG2-CE1 3.6Å; V606-L629 HydrophobicContact CG1-CD2 3.82Å; V606-L629 HydrophobicContact CG1-CG 4.27Å; V606-F782 HydrophobicContact CG1-CE2 3.88Å; V606-F782 HydrophobicContact CG1-CZ 3.99Å
607	L	85.7	Confident	82.1	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-40.3	177.4	-69.4	169	0	0	0	111.8	I603 Q604 Q609 I610 E611 F782 Q785 L786	I603-L607 HydrophobicContact CG2-CD1 3.87Å; I603-L607 HydrophobicContact CG2-CG 4.44Å; I603-L607 WeakPolarHBondContact O-CG 3.34Å; I603-L607 PolarHBondContact O-N 3.12Å; Q604-L607 PolarHBondContact O-N 2.92Å; L607-Q609 VanDerWaalsContact C-N 3.33Å; L607-Q609 PolarHBondContact O-N 2.93Å; L607-I610 PolarHBondContact O-N 2.97Å; L607-E611 WeakPolarHBondContact O-CG 3.11Å; L607-E611 PolarHBondContact O-N 3.17Å; L607-F782 HydrophobicContact CD2-CD2 4.1Å; L607-F782 HydrophobicContact CD2-CE2 3.57Å; L607-F782 HydrophobicContact CD2-CZ 4.08Å; L607-F782 HydrophobicContact CG-CD2 4.3Å; L607-F782 HydrophobicContact CG-CE2 3.84Å; L607-Q785 HydrophobicContact CD1-CB 3.59Å; L607-Q785 HydrophobicContact CD1-CG 4.41Å; L607-Q785 HydrophobicContact CD2-CB 4.42Å; L607-L786 HydrophobicContact CD2-CB 3.99Å; L607-L786 HydrophobicContact CD2-CD1 4.23Å
608	G	86.7	Confident	82.6	Confident	26 Å²	26	54.3 Å²	54.3	27%	0.268	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-37.9	175.3	0	0	0	0	0	113	Q604 M605 V606 E611 E612	Q604-G608 PolarHBondContact O-N 2.8Å; M605-G608 PolarHBondContact O-N 3.33Å; V606-G608 VanDerWaalsContact C-N 3.29Å; V606-G608 PolarHBondContact O-N 3.09Å; G608-E611 PolarHBondContact O-N 3.06Å; G608-E612 PolarHBondContact O-N 3.06Å
609	Q	87.1	Confident	82.7	Confident	73 Å²	73	53.7 Å²	53.7	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-72.7	-34.3	178.8	-68.2	-76.8	-26.3	0	0	112.4	M605 V606 L607 E611 E612 H613 I622 F625	M605-Q609 WeakPolarHBondContact O-CG 3.37Å; M605-Q609 PolarHBondContact O-N 2.67Å; V606-Q609 PolarHBondContact O-N 3.27Å; V606-Q609 VanDerWaalsContact O-N 3.14Å; L607-Q609 VanDerWaalsContact C-N 3.33Å; L607-Q609 PolarHBondContact O-N 2.93Å; Q609-E611 VanDerWaalsContact C-N 3.34Å; Q609-E612 PolarHBondContact O-N 2.69Å; Q609-H613 WeakPolarHBondContact O-CB 3.17Å; Q609-H613 PolarHBondContact O-N 3.35Å; Q609-I622 HydrophobicContact CB-CD1 4.06Å; Q609-I622 HydrophobicContact CG-CD1 3.41Å; Q609-I622 VanDerWaalsContact CG-CD1 3.41Å; Q609-F625 HydrophobicContact CB-CE2 4.35Å
610	I	87.1	Confident	83.3	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-42.2	170.8	-63.2	169.4	0	0	0	110.3	V606 L607 H613 R614 F625 F782 L786 F829	V606-I610 HydrophobicContact CG1-CD1 4.02Å; V606-I610 WeakPolarHBondContact O-CG1 3.38Å; V606-I610 PolarHBondContact O-N 2.79Å; L607-I610 PolarHBondContact O-N 2.97Å; I610-H613 WeakPolarHBondContact O-CB 3.01Å; I610-H613 PolarHBondContact O-N 2.94Å; I610-R614 WeakPolarHBondContact O-CG 3.37Å; I610-R614 PolarHBondContact O-N 3.17Å; I610-R614 VanDerWaalsContact O-N 3.13Å; I610-F625 HydrophobicContact CD1-CZ 4.48Å; I610-F625 HydrophobicContact CG1-CZ 3.96Å; I610-F782 HydrophobicContact CD1-CZ 4.05Å; I610-L786 HydrophobicContact CD1-CD1 3.84Å; I610-L786 HydrophobicContact CG2-CD1 4.08Å; I610-F829 HydrophobicContact CD1-CE2 4.48Å; I610-F829 HydrophobicContact CD1-CZ 3.74Å; I610-F829 HydrophobicContact CG1-CE2 3.95Å; I610-F829 HydrophobicContact CG1-CZ 3.7Å; I610-F829 HydrophobicContact CG2-CE1 4.48Å; I610-F829 HydrophobicContact CG2-CE2 4.31Å; I610-F829 HydrophobicContact CG2-CZ 4.07Å
611	E	86.7	Confident	83.4	Confident	33 Å²	33	56.1 Å²	56.1	15%	0.154	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-41.8	175.1	-71.9	177.1	-152.7	0	0	112.8	L607 G608 Q609 H613 R614 R615 R789	L607-E611 WeakPolarHBondContact O-CG 3.11Å; L607-E611 PolarHBondContact O-N 3.17Å; G608-E611 PolarHBondContact O-N 3.06Å; Q609-E611 VanDerWaalsContact C-N 3.34Å; E611-H613 VanDerWaalsContact C-N 3.31Å; E611-H613 PolarHBondContact O-N 2.84Å; E611-R614 WeakPolarHBondContact O-CB 3.31Å; E611-R614 PolarHBondContact O-N 2.71Å; E611-R614 VanDerWaalsContact O-N 3.15Å; E611-R615 WeakPolarHBondContact O-CG 3.29Å; E611-R615 PolarHBondContact O-N 2.91Å; E611-R615 IonicContact OE2-CZ 3.77Å; E611-R615 IonicContact OE2-NH1 3.71Å; E611-R615 IonicContact OE2-NH2 3.79Å; E611-R615 PolarHBondContact OE2-NH2 2.88Å; E611-R789 WeakPolarHBondContact OE1-CD 3.41Å; E611-R789 WeakPolarHBondContact OE1-CG 3.49Å; E611-R789 IonicContact OE1-CZ 3.06Å; E611-R789 IonicContact OE1-NE 3.96Å; E611-R789 PolarHBondContact OE1-NE 2.94Å; E611-R789 IonicContact OE1-NH1 2.7Å; E611-R789 PolarHBondContact OE1-NH1 3.15Å
612	E	86.7	Confident	83.4	Confident	90 Å²	90	56.6 Å²	56.6	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-64.6	-38.6	177.7	-168.9	55.7	-146.9	0	0	111.5	G608 Q609 R614 R615 S616	G608-E612 PolarHBondContact O-N 3.06Å; Q609-E612 PolarHBondContact O-N 2.69Å; E612-R614 VanDerWaalsContact C-N 3.29Å; E612-R614 PolarHBondContact O-N 3.47Å; E612-R615 PolarHBondContact O-N 3.47Å; E612-R615 IonicContact OE2-NH1 2.71Å; E612-S616 WeakPolarHBondContact O-CB 3.27Å; E612-S616 PolarHBondContact O-N 2.81Å; E612-S616 PolarHBondContact O-OG 2.92Å
613	H	86.4	Confident	83.1	Confident	24 Å²	24	59.6 Å²	59.6	11%	0.111	31%	0.307	C	S	.	.	H	α-helix	trans	-57.8	-40.5	171.5	-179.8	54.6	0	0	0	112.2	Q609 I610 E611 H617 Q618 I620 H825 F829	Q609-H613 WeakPolarHBondContact O-CB 3.17Å; Q609-H613 PolarHBondContact O-N 3.35Å; I610-H613 WeakPolarHBondContact O-CB 3.01Å; I610-H613 PolarHBondContact O-N 2.94Å; E611-H613 VanDerWaalsContact C-N 3.31Å; E611-H613 PolarHBondContact O-N 2.84Å; H613-H617 VanDerWaalsContact O-CA 3.31Å; H613-H617 WeakPolarHBondContact O-CA 3.47Å; H613-H617 PolarHBondContact O-N 3.48Å; H613-Q618 PolarHBondContact ND1-O 2.89Å; H613-I620 HydrophobicContact CB-CD1 3.87Å; H613-I620 HydrophobicContact CB-CG1 3.65Å; H613-H825 AromaticContact CD2-CE1 3.78Å; H613-H825 AromaticContact CE1-CE1 3.99Å; H613-H825 AromaticContact CE1-NE2 3.9Å; H613-H825 AromaticContact NE2-CE1 3.57Å; H613-H825 AromaticContact NE2-NE2 3.82Å; H613-F829 AromaticContact CD2-CD2 3.89Å
614	R	86.9	Confident	82.9	Confident	3 Å²	3	66.5 Å²	66.5	1%	0.011	34%	0.337	C	S	.	.	H	α-helix	trans	-70.5	-31.7	176.7	-71.2	170.1	178.2	152.3	-0.9	114	I610 E611 E612 T790 F793 E826	I610-R614 WeakPolarHBondContact O-CG 3.37Å; I610-R614 PolarHBondContact O-N 3.17Å; I610-R614 VanDerWaalsContact O-N 3.13Å; E611-R614 WeakPolarHBondContact O-CB 3.31Å; E611-R614 PolarHBondContact O-N 2.71Å; E611-R614 VanDerWaalsContact O-N 3.15Å; E612-R614 VanDerWaalsContact C-N 3.29Å; E612-R614 PolarHBondContact O-N 3.47Å; R614-T790 VanDerWaalsContact CZ-OG1 3.22Å; R614-T790 PolarHBondContact NH1-OG1 3.06Å; R614-T790 PolarHBondContact NH2-OG1 2.75Å; R614-F793 HydrophobicContact CB-CD1 4.35Å; R614-F793 HydrophobicContact CB-CE1 3.77Å; R614-F793 HydrophobicContact CB-CE2 4.34Å; R614-F793 HydrophobicContact CB-CZ 3.74Å; R614-F793 HydrophobicContact CG-CE1 4.44Å; R614-E826 WeakPolarHBondContact CD-OE1 3.45Å; R614-E826 WeakPolarHBondContact CG-OE1 3.21Å; R614-E826 IonicContact CZ-OE1 2.77Å; R614-E826 IonicContact CZ-OE2 2.75Å; R614-E826 IonicContact NE-OE1 3.06Å; R614-E826 PolarHBondContact NE-OE1 3.13Å; R614-E826 IonicContact NE-OE2 2.69Å; R614-E826 IonicContact NH2-OE1 2.91Å; R614-E826 IonicContact NH2-OE2 2.6Å; R614-E826 PolarHBondContact NH2-OE2 3.28Å
615	R	85.6	Confident	82.9	Confident	134 Å²	134	62.4 Å²	62.4	51%	0.506	32%	0.317	S	S	.	.	H	α-helix	trans	-79.3	-48	179	-70.9	-176.4	-165.5	102.1	7.6	111.7	E611 E612 F793	E611-R615 WeakPolarHBondContact O-CG 3.29Å; E611-R615 PolarHBondContact O-N 2.91Å; E611-R615 IonicContact OE2-CZ 3.77Å; E611-R615 IonicContact OE2-NH1 3.71Å; E611-R615 IonicContact OE2-NH2 3.79Å; E611-R615 PolarHBondContact OE2-NH2 2.88Å; E612-R615 PolarHBondContact O-N 3.47Å; E612-R615 IonicContact OE2-NH1 2.71Å; R615-F793 HydrophobicContact CG-CE2 3.87Å
616	S	85.1	Confident	82.4	Confident	41 Å²	41	60.9 Å²	60.9	29%	0.287	31%	0.311	S	S	.	.	H	α-helix	trans	-91.7	-16.5	-170.4	67.4	0	0	0	0	114.1	E612 Q618	E612-S616 WeakPolarHBondContact O-CB 3.27Å; E612-S616 PolarHBondContact O-N 2.81Å; E612-S616 PolarHBondContact O-OG 2.92Å; S616-Q618 PolarHBondContact O-N 2.93Å; S616-Q618 WeakPolarHBondContact OG-CB 3.48Å; S616-Q618 PolarHBondContact OG-N 2.75Å
617	H	80.6	Confident	82	Confident	105 Å²	105	63.9 Å²	63.9	49%	0.486	33%	0.329	S	S	.	.			trans	54.6	14.1	-168.2	-70.3	-80.8	0	0	0	114.1	H613 H825	H613-H617 VanDerWaalsContact O-CA 3.31Å; H613-H617 WeakPolarHBondContact O-CA 3.47Å; H613-H617 PolarHBondContact O-N 3.48Å; H617-H825 AromaticContact CE1-CD2 3.63Å; H617-H825 AromaticContact CE1-CG 3.97Å; H617-H825 AromaticContact CE1-NE2 3.76Å; H617-H825 AromaticContact CG-NE2 3.99Å; H617-H825 AromaticContact ND1-CD2 3.16Å; H617-H825 PolarHBondContact ND1-CD2 2.88Å; H617-H825 AromaticContact ND1-CE1 3.79Å; H617-H825 AromaticContact ND1-CG 3.93Å; H617-H825 AromaticContact ND1-NE2 3.03Å; H617-H825 PolarHBondContact ND1-NE2 3.22Å
618	Q	80.8	Confident	81.5	Confident	134 Å²	134	66.7 Å²	66.7	63%	0.626	34%	0.342	S	S	*	.			trans	-82.6	143.8	176.1	-66.8	-171.9	-4.8	0	0	110.6	H613 S616	H613-Q618 PolarHBondContact ND1-O 2.89Å; S616-Q618 PolarHBondContact O-N 2.93Å; S616-Q618 WeakPolarHBondContact OG-CB 3.48Å; S616-Q618 PolarHBondContact OG-N 2.75Å
619	P	77.6	Confident	81	Confident	75 Å²	75	65.5 Å²	65.5	49%	0.487	33%	0.329	S	S	.	.			trans	-63.8	143.1	179	27.7	-34.8	0	0	0	111.8	N621	P619-N621 PolarHBondContact O-N 3.42Å
620	I	82.8	Confident	80.3	Confident	15 Å²	15	68 Å²	68	8%	0.077	34%	0.335	C	S	.	.			trans	-71.2	112	175.1	-57.2	173	0	0	0	108.9	H613 I622 F625 F829 F833	H613-I620 HydrophobicContact CB-CD1 3.87Å; H613-I620 HydrophobicContact CB-CG1 3.65Å; I620-I622 HydrophobicContact CG2-CB 4.4Å; I620-I622 HydrophobicContact CG2-CG1 4.39Å; I620-F625 HydrophobicContact CB-CE1 4.48Å; I620-F625 HydrophobicContact CD1-CD1 4.45Å; I620-F625 HydrophobicContact CD1-CE1 3.6Å; I620-F625 HydrophobicContact CD1-CZ 3.76Å; I620-F625 HydrophobicContact CG2-CD1 3.87Å; I620-F625 HydrophobicContact CG2-CD2 3.98Å; I620-F625 HydrophobicContact CG2-CE1 3.92Å; I620-F625 HydrophobicContact CG2-CE2 4.03Å; I620-F625 HydrophobicContact CG2-CG 3.9Å; I620-F625 HydrophobicContact CG2-CZ 4.01Å; I620-F829 HydrophobicContact CD1-CD2 4.26Å; I620-F829 HydrophobicContact CD1-CE2 3.77Å; I620-F833 HydrophobicContact CB-CZ 4.34Å; I620-F833 HydrophobicContact CD1-CE2 4.42Å
621	N	76.1	Confident	79.6	Confident	138 Å²	138	72.4 Å²	72.4	74%	0.738	36%	0.359	S	S	*	.			trans	-106.8	57.1	-179.4	-73.3	-26.1	0	0	0	111.5	P619	P619-N621 PolarHBondContact O-N 3.42Å
622	I	78	Confident	78.9	Confident	47 Å²	47	71.1 Å²	71.1	24%	0.241	35%	0.353	C	S	.	.			trans	-107.6	124.2	172.7	-68	176.6	0	0	0	108.7	Q609 I620 F624 F625	Q609-I622 HydrophobicContact CB-CD1 4.06Å; Q609-I622 HydrophobicContact CG-CD1 3.41Å; Q609-I622 VanDerWaalsContact CG-CD1 3.41Å; I620-I622 HydrophobicContact CG2-CB 4.4Å; I620-I622 HydrophobicContact CG2-CG1 4.39Å; I622-F624 PolarHBondContact O-N 2.93Å; I622-F625 HydrophobicContact CB-CB 3.92Å; I622-F625 HydrophobicContact CB-CD2 4.06Å; I622-F625 HydrophobicContact CB-CG 4.34Å; I622-F625 HydrophobicContact CD1-CD2 4.26Å; I622-F625 HydrophobicContact CG2-CB 4.09Å; I622-F625 HydrophobicContact CG2-CD2 4.24Å; I622-F625 VanDerWaalsContact O-CB 3.25Å; I622-F625 WeakPolarHBondContact O-CB 3.35Å; I622-F625 PolarHBondContact O-N 3.37Å
623	P	74.3	Confident	78	Confident	103 Å²	103	66.8 Å²	66.8	67%	0.669	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	134.9	174.6	-22.7	32.5	0	0	0	111.1	F625	P623-F625 PolarHBondContact O-N 3.28Å; P623-F625 VanDerWaalsContact O-N 3.14Å
624	F	74.6	Confident	76.9	Confident	160 Å²	160	70.7 Å²	70.7	70%	0.702	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	17.9	178.5	-46.6	-74.9	0	0	0	115.4	I622 D626 V627 F628	I622-F624 PolarHBondContact O-N 2.93Å; F624-D626 VanDerWaalsContact C-N 3.26Å; F624-D626 PolarHBondContact O-N 3.37Å; F624-V627 HydrophobicContact CB-CB 4.3Å; F624-V627 PolarHBondContact O-N 3.45Å; F624-V627 VanDerWaalsContact O-N 3.15Å; F624-F628 WeakPolarHBondContact O-CB 3.39Å; F624-F628 PolarHBondContact O-N 3.29Å
625	F	81.9	Confident	75.5	Confident	5 Å²	5	71.4 Å²	71.4	2%	0.022	36%	0.36	C	S	.	.	H	α-helix	trans	-58.1	-40.1	178.7	-176.6	-100	0	0	0	112.6	V606 Q609 I610 I620 I622 P623 F628 L629 F829 F833	V606-F625 HydrophobicContact CB-CE2 4.17Å; V606-F625 HydrophobicContact CG1-CE2 3.75Å; V606-F625 HydrophobicContact CG1-CZ 3.97Å; V606-F625 HydrophobicContact CG2-CD2 4.35Å; V606-F625 HydrophobicContact CG2-CE2 3.97Å; Q609-F625 HydrophobicContact CB-CE2 4.35Å; I610-F625 HydrophobicContact CD1-CZ 4.48Å; I610-F625 HydrophobicContact CG1-CZ 3.96Å; I620-F625 HydrophobicContact CB-CE1 4.48Å; I620-F625 HydrophobicContact CD1-CD1 4.45Å; I620-F625 HydrophobicContact CD1-CE1 3.6Å; I620-F625 HydrophobicContact CD1-CZ 3.76Å; I620-F625 HydrophobicContact CG2-CD1 3.87Å; I620-F625 HydrophobicContact CG2-CD2 3.98Å; I620-F625 HydrophobicContact CG2-CE1 3.92Å; I620-F625 HydrophobicContact CG2-CE2 4.03Å; I620-F625 HydrophobicContact CG2-CG 3.9Å; I620-F625 HydrophobicContact CG2-CZ 4.01Å; I622-F625 HydrophobicContact CB-CB 3.92Å; I622-F625 HydrophobicContact CB-CD2 4.06Å; I622-F625 HydrophobicContact CB-CG 4.34Å; I622-F625 HydrophobicContact CD1-CD2 4.26Å; I622-F625 HydrophobicContact CG2-CB 4.09Å; I622-F625 HydrophobicContact CG2-CD2 4.24Å; I622-F625 VanDerWaalsContact O-CB 3.25Å; I622-F625 WeakPolarHBondContact O-CB 3.35Å; I622-F625 PolarHBondContact O-N 3.37Å; P623-F625 PolarHBondContact O-N 3.28Å; P623-F625 VanDerWaalsContact O-N 3.14Å; F625-F628 PolarHBondContact O-N 3.29Å; F625-L629 HydrophobicContact CD1-CD1 3.74Å; F625-L629 HydrophobicContact CD1-CG 4.49Å; F625-L629 HydrophobicContact CE1-CD1 3.2Å; F625-L629 HydrophobicContact CE1-CG 4.16Å; F625-L629 HydrophobicContact CZ-CD1 3.68Å; F625-L629 HydrophobicContact CZ-CG 4.31Å; F625-L629 WeakPolarHBondContact O-CB 3.23Å; F625-L629 PolarHBondContact O-N 2.75Å; F625-F829 HydrophobicContact CE1-CE2 4.42Å; F625-F833 AromaticContact CD1-CD1 3.68Å; F625-F833 HydrophobicContact CD1-CD1 3.68Å; F625-F833 AromaticContact CD1-CE1 3.71Å; F625-F833 HydrophobicContact CD1-CE1 3.71Å; F625-F833 HydrophobicContact CD1-CG 4.39Å; F625-F833 HydrophobicContact CD1-CZ 4.44Å; F625-F833 HydrophobicContact CE1-CD1 4.04Å; F625-F833 HydrophobicContact CE1-CE1 4.25Å; F625-F833 HydrophobicContact CE1-CG 4.31Å
626	D	74.6	Confident	74	Confident	66 Å²	66	65.4 Å²	65.4	35%	0.353	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-43.2	174.2	63.5	-40.7	0	0	0	112.3	F624 R630 F833	F624-D626 VanDerWaalsContact C-N 3.26Å; F624-D626 PolarHBondContact O-N 3.37Å; D626-R630 WeakPolarHBondContact O-CB 3.16Å; D626-R630 WeakPolarHBondContact O-CG 2.9Å; D626-R630 PolarHBondContact O-N 3.2Å; D626-F833 HydrophobicContact CB-CD1 4.22Å
627	V	76.5	Confident	72.4	Confident	65 Å²	65	65 Å²	65	39%	0.394	34%	0.335	S	S	.	.	H	α-helix	trans	-66	-41.6	176.8	-179.2	0	0	0	0	111	F624 R630 N631	F624-V627 HydrophobicContact CB-CB 4.3Å; F624-V627 PolarHBondContact O-N 3.45Å; F624-V627 VanDerWaalsContact O-N 3.15Å; V627-R630 WeakPolarHBondContact O-CB 3.33Å; V627-R630 PolarHBondContact O-N 2.91Å; V627-N631 PolarHBondContact O-N 2.91Å; V627-N631 VanDerWaalsContact O-N 3.12Å; V627-N631 PolarHBondContact O-ND2 3.07Å
628	F	75.6	Confident	71	Confident	62 Å²	62	63.4 Å²	63.4	27%	0.272	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-44	178.3	-171.5	-100.7	0	0	0	111.9	C602 V606 F624 F625 R630 N631 L632	C602-F628 HydrophobicContact CB-CE1 4.2Å; C602-F628 HydrophobicContact CB-CE2 4.34Å; C602-F628 HydrophobicContact CB-CZ 3.58Å; V606-F628 HydrophobicContact CG2-CD1 3.6Å; V606-F628 HydrophobicContact CG2-CE1 3.6Å; F624-F628 WeakPolarHBondContact O-CB 3.39Å; F624-F628 PolarHBondContact O-N 3.29Å; F625-F628 PolarHBondContact O-N 3.29Å; F628-R630 VanDerWaalsContact C-N 3.32Å; F628-R630 PolarHBondContact O-N 3.33Å; F628-N631 PolarHBondContact O-N 3.46Å; F628-L632 HydrophobicContact CD1-CD1 3.73Å; F628-L632 HydrophobicContact CD1-CG 4.22Å; F628-L632 HydrophobicContact CE1-CD1 3.33Å; F628-L632 HydrophobicContact CE1-CD2 4.47Å; F628-L632 HydrophobicContact CE1-CG 3.93Å; F628-L632 HydrophobicContact CZ-CD1 4.06Å; F628-L632 HydrophobicContact CZ-CD2 4.41Å; F628-L632 HydrophobicContact CZ-CG 4.28Å; F628-L632 PolarHBondContact O-N 3.14Å
629	L	76.3	Confident	69.6	Low	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-39	172.5	-86.5	175.5	0	0	0	112.1	V606 F625 N631 L632 C633 F782 F829 F833	V606-L629 HydrophobicContact CG1-CD2 3.82Å; V606-L629 HydrophobicContact CG1-CG 4.27Å; F625-L629 HydrophobicContact CD1-CD1 3.74Å; F625-L629 HydrophobicContact CD1-CG 4.49Å; F625-L629 HydrophobicContact CE1-CD1 3.2Å; F625-L629 HydrophobicContact CE1-CG 4.16Å; F625-L629 HydrophobicContact CZ-CD1 3.68Å; F625-L629 HydrophobicContact CZ-CG 4.31Å; F625-L629 WeakPolarHBondContact O-CB 3.23Å; F625-L629 PolarHBondContact O-N 2.75Å; L629-N631 VanDerWaalsContact C-N 3.28Å; L629-N631 PolarHBondContact O-N 3.38Å; L629-L632 PolarHBondContact O-N 3.39Å; L629-C633 VanDerWaalsContact O-CB 3.27Å; L629-C633 WeakPolarHBondContact O-CB 3.45Å; L629-C633 PolarHBondContact O-N 3.01Å; L629-C633 PolarHBondContact O-SG 3.33Å; L629-F782 HydrophobicContact CD2-CE1 3.67Å; L629-F782 HydrophobicContact CD2-CE2 4.37Å; L629-F782 HydrophobicContact CD2-CZ 3.42Å; L629-F782 VanDerWaalsContact CD2-CZ 3.42Å; L629-F829 HydrophobicContact CD1-CZ 4.32Å; L629-F833 HydrophobicContact CD1-CB 3.79Å; L629-F833 HydrophobicContact CD1-CG 4.42Å
630	R	72.8	Confident	68.5	Low	126 Å²	126	61.8 Å²	61.8	48%	0.475	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-43.1	174	-78.5	170.3	-178.1	-129.5	2	111.9	D626 V627 F628 Q634 P835	D626-R630 WeakPolarHBondContact O-CB 3.16Å; D626-R630 WeakPolarHBondContact O-CG 2.9Å; D626-R630 PolarHBondContact O-N 3.2Å; V627-R630 WeakPolarHBondContact O-CB 3.33Å; V627-R630 PolarHBondContact O-N 2.91Å; F628-R630 VanDerWaalsContact C-N 3.32Å; F628-R630 PolarHBondContact O-N 3.33Å; R630-Q634 WeakPolarHBondContact O-CG 3.47Å; R630-Q634 PolarHBondContact O-N 3.32Å; R630-Q634 PolarHBondContact O-NE2 2.76Å; R630-P835 HydrophobicContact CB-CG 4.2Å; R630-P835 HydrophobicContact CG-CB 3.83Å; R630-P835 HydrophobicContact CG-CG 3.65Å
631	N	71.1	Confident	67.2	Low	94 Å²	94	69.1 Å²	69.1	50%	0.503	35%	0.351	S	S	.	.	H	α-helix	trans	-72.8	-32.5	178.9	-68.8	-24.6	0	0	0	113.1	V627 F628 L629	V627-N631 PolarHBondContact O-N 2.91Å; V627-N631 VanDerWaalsContact O-N 3.12Å; V627-N631 PolarHBondContact O-ND2 3.07Å; F628-N631 PolarHBondContact O-N 3.46Å; L629-N631 VanDerWaalsContact C-N 3.28Å; L629-N631 PolarHBondContact O-N 3.38Å
632	L	72.1	Confident	66.2	Low	6 Å²	6	66.4 Å²	66.4	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-73.3	-36.2	175.2	-73.4	-179.3	0	0	0	112.9	I603 F628 L629 F778 W779 F782	I603-L632 HydrophobicContact CD1-CD2 4.23Å; I603-L632 HydrophobicContact CG1-CD1 4.17Å; I603-L632 HydrophobicContact CG1-CD2 3.98Å; F628-L632 HydrophobicContact CD1-CD1 3.73Å; F628-L632 HydrophobicContact CD1-CG 4.22Å; F628-L632 HydrophobicContact CE1-CD1 3.33Å; F628-L632 HydrophobicContact CE1-CD2 4.47Å; F628-L632 HydrophobicContact CE1-CG 3.93Å; F628-L632 HydrophobicContact CZ-CD1 4.06Å; F628-L632 HydrophobicContact CZ-CD2 4.41Å; F628-L632 HydrophobicContact CZ-CG 4.28Å; F628-L632 PolarHBondContact O-N 3.14Å; L629-L632 PolarHBondContact O-N 3.39Å; L632-F778 HydrophobicContact CD2-CB 3.77Å; L632-F778 HydrophobicContact CD2-CD2 4.49Å; L632-F778 HydrophobicContact CD2-CG 4.37Å; L632-W779 WeakPolarHBondContact O-CA 3.3Å; L632-W779 VanDerWaalsContact O-CB 3.3Å; L632-W779 WeakPolarHBondContact O-CB 3.43Å; L632-W779 PolarHBondContact O-N 3.32Å; L632-F782 HydrophobicContact CB-CG 4.45Å; L632-F782 HydrophobicContact CD1-CD2 3.96Å; L632-F782 HydrophobicContact CD1-CE2 4.08Å; L632-F782 HydrophobicContact CD1-CG 4.39Å
633	C	68.6	Low	65.2	Low	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-88.7	-1.8	-177.5	-61.3	0	0	0	0	113.7	L629 W779	L629-C633 VanDerWaalsContact O-CB 3.27Å; L629-C633 WeakPolarHBondContact O-CB 3.45Å; L629-C633 PolarHBondContact O-N 3.01Å; L629-C633 PolarHBondContact O-SG 3.33Å; C633-W779 HydrophobicContact CB-CE3 3.95Å; C633-W779 HydrophobicContact CB-CZ3 4.11Å; C633-W779 VanDerWaalsContact SG-CZ3 3.55Å
634	Q	62.4	Low	64.8	Low	105 Å²	105	70.8 Å²	70.8	49%	0.491	35%	0.345	S	S	.	.			trans	-75.5	132.4	172.3	-85.9	164.4	29.1	0	0	110.3	R630 T777	R630-Q634 WeakPolarHBondContact O-CG 3.47Å; R630-Q634 PolarHBondContact O-N 3.32Å; R630-Q634 PolarHBondContact O-NE2 2.76Å; Q634-T777 WeakPolarHBondContact O-CB 3.23Å; Q634-T777 WeakPolarHBondContact O-CG2 3.4Å; Q634-T777 PolarHBondContact O-OG1 3.29Å
635	G	57.3	Low	64.9	Low	19 Å²	19	63.3 Å²	63.3	20%	0.196	31%	0.312	C	S	.	.	S	Bend	trans	115.9	-178.9	170	0	0	0	0	0	115	W779	G635-W779 VanDerWaalsContact O-CD1 3.23Å
636	S	54.4	Low	65.1	Low	7 Å²	7	66.2 Å²	66.2	5%	0.049	32%	0.323	C	S	.	.			trans	-74.9	148.8	-176.3	57.6	0	0	0	0	112.3	V638 P780	S636-V638 PolarHBondContact O-N 2.82Å; S636-V638 PolarHBondContact OG-O 3.37Å; S636-P780 WeakPolarHBondContact O-CG 3.12Å
637	S	51.6	Low	65.6	Low	32 Å²	32	69.3 Å²	69.3	22%	0.224	34%	0.336	C	S	.	.	S	Bend	trans	-77.1	-1.2	179.5	54	0	0	0	0	115.4	K783 E838	S637-K783 VanDerWaalsContact CB-NZ 3.33Å; S637-E838 WeakPolarHBondContact CB-OE1 3.46Å; S637-E838 PolarHBondContact OG-OE1 3.49Å
638	V	52.6	Low	66.2	Low	72 Å²	72	70.5 Å²	70.5	44%	0.436	34%	0.335	S	S	.	.	S	Bend	trans	-107.7	135.5	174.6	-174.7	0	0	0	0	108.9	S636 L640	S636-V638 PolarHBondContact O-N 2.82Å; S636-V638 PolarHBondContact OG-O 3.37Å; V638-L640 VanDerWaalsContact C-N 3.25Å; V638-L640 HydrophobicContact CB-CD1 4.44Å; V638-L640 HydrophobicContact CB-CD2 3.94Å; V638-L640 HydrophobicContact CB-CG 3.88Å; V638-L640 HydrophobicContact CG1-CD2 3.46Å; V638-L640 VanDerWaalsContact CG1-CD2 3.46Å; V638-L640 HydrophobicContact CG1-CG 3.89Å; V638-L640 PolarHBondContact O-N 2.87Å
639	E	51.1	Low	67.1	Low	149 Å²	149	69 Å²	69	70%	0.696	33%	0.331	S	S	*	.			trans	-66.2	86.9	166.5	-71.6	-168.4	166.4	0	0	109.2	P780 V781	E639-P780 HydrophobicContact CG-CB 3.85Å; E639-P780 HydrophobicContact CG-CG 4.1Å; E639-V781 VanDerWaalsContact OE1-CG2 3.32Å; E639-V781 WeakPolarHBondContact OE1-CG2 3.33Å
640	L	53.4	Low	67.9	Low	27 Å²	27	72.4 Å²	72.4	14%	0.141	35%	0.347	C	S	.	.			trans	-92.7	126.5	179.6	-63.4	175.5	0	0	0	109.7	V638 K644 H686 V689	V638-L640 VanDerWaalsContact C-N 3.25Å; V638-L640 HydrophobicContact CB-CD1 4.44Å; V638-L640 HydrophobicContact CB-CD2 3.94Å; V638-L640 HydrophobicContact CB-CG 3.88Å; V638-L640 HydrophobicContact CG1-CD2 3.46Å; V638-L640 VanDerWaalsContact CG1-CD2 3.46Å; V638-L640 HydrophobicContact CG1-CG 3.89Å; V638-L640 PolarHBondContact O-N 2.87Å; L640-K644 WeakPolarHBondContact CD2-O 3.27Å; L640-H686 HydrophobicContact CD1-CB 4.11Å; L640-V689 HydrophobicContact CD1-CG2 3.26Å
641	K	55.2	Low	69	Low	169 Å²	169	66.6 Å²	66.6	74%	0.735	33%	0.326	S	S	*	.			trans	-62.7	142.8	157.8	-65.7	-175.5	178.6	-177.4	0	107.4	D643 K644	K641-D643 PolarHBondContact O-N 2.97Å; K641-K644 PolarHBondContact O-N 3.33Å
642	E	56.5	Low	70	Confident	81 Å²	81	63.4 Å²	63.4	38%	0.379	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-21.8	-174.9	-64.7	-171.6	159.4	0	0	114.1	C645	E642-C645 PolarHBondContact O-SG 3.4Å
643	D	55.9	Low	71	Confident	95 Å²	95	64.2 Å²	64.2	51%	0.508	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8.5	-177.9	-70.6	13.6	0	0	0	115.3	K641 K664	K641-D643 PolarHBondContact O-N 2.97Å; D643-K664 IonicContact OD2-NZ 3.38Å; D643-K664 PolarHBondContact OD2-NZ 3.48Å
644	K	66.2	Low	72	Confident	147 Å²	147	66 Å²	66	64%	0.639	33%	0.327	S	S	*	.			trans	-117.1	48.5	-175.1	-70.7	-167.2	177.1	-172	0	112.6	L640 K641 W646 H686	L640-K644 WeakPolarHBondContact CD2-O 3.27Å; K641-K644 PolarHBondContact O-N 3.33Å; K644-W646 PolarHBondContact O-N 3.46Å; K644-H686 PolarHBondContact O-CD2 2.91Å
645	C	76.9	Confident	73.4	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.014	33%	0.332	C	S	.	.			trans	-87.3	-1.7	-170.6	-63.5	0	0	0	0	115.1	E642 M685 H686 V689 V771 G773	E642-C645 PolarHBondContact O-SG 3.4Å; C645-M685 HydrophobicContact CB-CE 4.39Å; C645-M685 VanDerWaalsContact O-CE 3.26Å; C645-M685 WeakPolarHBondContact O-CE 3.38Å; C645-H686 PolarHBondContact O-N 2.6Å; C645-V689 HydrophobicContact CB-CG1 3.88Å; C645-V771 HydrophobicContact CB-CB 4.49Å; C645-V771 HydrophobicContact CB-CG1 4.06Å; C645-G773 WeakPolarHBondContact SG-CA 3.19Å; C645-G773 PolarHBondContact SG-N 3.13Å
646	W	86.1	Confident	75	Confident	67 Å²	67	72.9 Å²	72.9	25%	0.254	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.8	-173.6	58.5	-90.6	0	0	0	111	K644 V649 T662 I683 Y684 M685 F769	K644-W646 PolarHBondContact O-N 3.46Å; W646-V649 HydrophobicContact CD2-CG2 4.28Å; W646-V649 HydrophobicContact CE3-CG2 3.71Å; W646-V649 HydrophobicContact CH2-CG2 4Å; W646-V649 HydrophobicContact CZ2-CG2 4.5Å; W646-V649 HydrophobicContact CZ3-CG2 3.58Å; W646-T662 HydrophobicContact CH2-CG2 3.53Å; W646-T662 HydrophobicContact CZ2-CG2 3.45Å; W646-T662 VanDerWaalsContact CZ2-CG2 3.45Å; W646-I683 HydrophobicContact CB-CG2 3.68Å; W646-I683 HydrophobicContact CG-CG2 4.1Å; W646-Y684 CarbonylContact C-O 3.47Å; W646-Y684 WeakPolarHBondContact CA-O 3.48Å; W646-Y684 WeakPolarHBondContact CB-O 3.28Å; W646-M685 HydrophobicContact CB-SD 4.07Å; W646-F769 HydrophobicContact CD2-CE2 4.42Å; W646-F769 HydrophobicContact CD2-CZ 4.24Å; W646-F769 AromaticContact CE2-CE2 3.95Å; W646-F769 AromaticContact CE2-CZ 3.79Å; W646-F769 HydrophobicContact CG-CE2 4.47Å; W646-F769 HydrophobicContact CZ2-CE2 4.48Å; W646-F769 AromaticContact CZ2-CZ 3.94Å; W646-F769 HydrophobicContact CZ2-CZ 3.94Å; W646-F769 AromaticContact NE1-CE2 3.67Å; W646-F769 AromaticContact NE1-CZ 4Å
647	E	85.6	Confident	76.6	Confident	131 Å²	131	77 Å²	77	61%	0.612	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	-48.6	-173.8	-175.5	-177.6	170.5	0	0	112.2	Y684	E647-Y684 PolarHBondContact N-O 3.02Å
648	K	89.4	Confident	78.4	Confident	89 Å²	89	76.1 Å²	76.1	39%	0.387	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	163.4	179.2	63.4	168.4	-179.5	160.7	0	112.5	E650 Y684	K648-E650 IonicContact NZ-OE1 2.72Å; K648-E650 PolarHBondContact NZ-OE1 2.85Å; K648-Y684 HydrophobicContact CD-CD2 4.09Å; K648-Y684 HydrophobicContact CD-CE2 4.47Å; K648-Y684 HydrophobicContact CD-CG 4.23Å; K648-Y684 HydrophobicContact CG-CD1 4.49Å; K648-Y684 HydrophobicContact CG-CD2 3.58Å; K648-Y684 HydrophobicContact CG-CE2 4.41Å; K648-Y684 HydrophobicContact CG-CG 3.64Å; K648-Y684 WeakPolarHBondContact O-CB 3.46Å; K648-Y684 PolarHBondContact O-N 2.82Å
649	V	93.2	Very high	80.2	Confident	30 Å²	30	78.5 Å²	78.5	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.3	176.2	179.2	0	0	0	0	109.4	W646 V651 L661 T662 I681 N682 F769	W646-V649 HydrophobicContact CD2-CG2 4.28Å; W646-V649 HydrophobicContact CE3-CG2 3.71Å; W646-V649 HydrophobicContact CH2-CG2 4Å; W646-V649 HydrophobicContact CZ2-CG2 4.5Å; W646-V649 HydrophobicContact CZ3-CG2 3.58Å; V649-V651 HydrophobicContact CG1-CG1 4.25Å; V649-L661 HydrophobicContact CG1-CD1 4.37Å; V649-T662 HydrophobicContact CG2-CG2 4.41Å; V649-I681 HydrophobicContact CG1-CG2 3.71Å; V649-N682 CarbonylContact C-O 3.54Å; V649-N682 WeakPolarHBondContact CA-O 3.5Å; V649-F769 HydrophobicContact CG1-CE1 4.25Å; V649-F769 HydrophobicContact CG2-CE1 3.63Å; V649-F769 HydrophobicContact CG2-CZ 3.38Å
650	E	93.9	Very high	82.1	Confident	72 Å²	72	75.3 Å²	75.3	34%	0.336	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147	171.1	-65.8	175.4	-172.9	0	0	109.6	K648 I681 N682 Y684	K648-E650 IonicContact NZ-OE1 2.72Å; K648-E650 PolarHBondContact NZ-OE1 2.85Å; E650-I681 CarbonylContact O-C 3.46Å; E650-I681 WeakPolarHBondContact O-CA 3.38Å; E650-N682 HydrophobicContact CB-CB 4.19Å; E650-N682 PolarHBondContact N-O 3.32Å; E650-N682 PolarHBondContact O-N 3.41Å; E650-Y684 HydrophobicContact CB-CE2 4.2Å; E650-Y684 VanDerWaalsContact CD-CE2 3.43Å; E650-Y684 HydrophobicContact CG-CE2 3.77Å; E650-Y684 PolarHBondContact OE2-OH 2.93Å
651	V	95.6	Very high	83.8	Confident	4 Å²	4	74.2 Å²	74.2	2%	0.024	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157	-173.3	-65.8	0	0	0	0	110.7	V649 S653 H655 A658 L661 W670 F680 I681	V649-V651 HydrophobicContact CG1-CG1 4.25Å; V651-S653 WeakPolarHBondContact CG2-O 3.17Å; V651-H655 HydrophobicContact CG2-CB 4.47Å; V651-H655 PolarHBondContact O-NE2 2.78Å; V651-H655 VanDerWaalsContact O-NE2 3.09Å; V651-A658 HydrophobicContact CG1-CB 3.98Å; V651-A658 HydrophobicContact CG2-CB 3.81Å; V651-L661 HydrophobicContact CG1-CD1 3.63Å; V651-W670 HydrophobicContact CB-CH2 4.32Å; V651-W670 HydrophobicContact CB-CZ2 3.56Å; V651-W670 HydrophobicContact CG1-CD2 4.34Å; V651-W670 HydrophobicContact CG1-CZ2 4.09Å; V651-W670 HydrophobicContact CG2-CZ2 4.3Å; V651-F680 CarbonylContact C-O 3.52Å; V651-I681 HydrophobicContact CG1-CG1 4.47Å; V651-I681 HydrophobicContact CG1-CG2 4.43Å
652	S	92.6	Very high	85.4	Confident	28 Å²	28	68.7 Å²	68.7	20%	0.196	33%	0.331	C	S	.	.	S	Bend	trans	-69.6	-33	-176.5	48.5	0	0	0	0	115.1	W670 S672 H679 F680	S652-W670 WeakPolarHBondContact OG-CH2 3.16Å; S652-S672 PolarHBondContact OG-OG 2.86Å; S652-H679 WeakPolarHBondContact OG-CA 3.28Å; S652-F680 VanDerWaalsContact CB-CD1 3.49Å; S652-F680 VanDerWaalsContact CB-N 3.33Å; S652-F680 PolarHBondContact N-O 3.15Å; S652-F680 PolarHBondContact OG-N 2.7Å; S652-F680 PolarHBondContact OG-O 2.84Å
653	S	92.3	Very high	86.8	Confident	22 Å²	22	67.6 Å²	67.6	15%	0.154	33%	0.328	C	S	.	.	S	Bend	trans	-156.9	171.9	178.8	59.5	0	0	0	0	110.9	V651 H655 W670 S672 N673	V651-S653 WeakPolarHBondContact CG2-O 3.17Å; S653-H655 VanDerWaalsContact C-N 3.32Å; S653-H655 PolarHBondContact O-N 3.22Å; S653-W670 PolarHBondContact O-NE1 2.9Å; S653-S672 WeakPolarHBondContact OG-CA 3.32Å; S653-S672 PolarHBondContact OG-OG 3.41Å; S653-N673 WeakPolarHBondContact CB-O 3.4Å; S653-N673 PolarHBondContact OG-N 3.03Å; S653-N673 PolarHBondContact OG-O 3.01Å
654	N	90.8	Very high	88	Confident	39 Å²	39	70.7 Å²	70.7	21%	0.209	34%	0.337	C	S	.	.			trans	50.7	47.7	-178.9	-65.5	-26.1	0	0	0	113.6	H656 R657 E671 N673	N654-H656 PolarHBondContact O-N 2.72Å; N654-R657 PolarHBondContact O-N 2.87Å; N654-E671 VanDerWaalsContact CB-O 3.3Å; N654-E671 WeakPolarHBondContact CB-O 3.34Å; N654-E671 PolarHBondContact ND2-O 2.75Å; N654-N673 PolarHBondContact ND2-ND2 3.49Å
655	H	91.8	Very high	88.8	Confident	128 Å²	128	66.8 Å²	66.8	59%	0.593	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-50.6	-33.8	-178.8	-58.2	91.1	0	0	0	114	V651 S653 R657 A658	V651-H655 HydrophobicContact CG2-CB 4.47Å; V651-H655 PolarHBondContact O-NE2 2.78Å; V651-H655 VanDerWaalsContact O-NE2 3.09Å; S653-H655 VanDerWaalsContact C-N 3.32Å; S653-H655 PolarHBondContact O-N 3.22Å; H655-R657 PolarHBondContact O-N 3.21Å; H655-R657 VanDerWaalsContact O-N 3.15Å; H655-A658 WeakPolarHBondContact O-CB 3.35Å; H655-A658 PolarHBondContact O-N 3.39Å
656	H	89.3	Confident	89	Confident	139 Å²	139	71.1 Å²	71.1	64%	0.644	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-61.4	-20.7	176.2	67.2	-82.8	0	0	0	113.8	N654	N654-H656 PolarHBondContact O-N 2.72Å
657	R	88.4	Confident	89	Confident	93 Å²	93	76.5 Å²	76.5	35%	0.351	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-98.9	0.5	174.1	-64.5	-173.4	-178.7	-174.8	-1.5	113.5	N654 H655 N659 K660	N654-R657 PolarHBondContact O-N 2.87Å; H655-R657 PolarHBondContact O-N 3.21Å; H655-R657 VanDerWaalsContact O-N 3.15Å; R657-N659 PolarHBondContact O-N 2.94Å; R657-K660 HydrophobicContact CB-CG 4.42Å; R657-K660 VanDerWaalsContact O-CB 3.22Å; R657-K660 WeakPolarHBondContact O-CB 3.39Å; R657-K660 WeakPolarHBondContact O-CG 3.29Å; R657-K660 PolarHBondContact O-N 3.28Å
658	A	89.4	Confident	89.3	Confident	14 Å²	14	71.6 Å²	71.6	12%	0.116	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-58.2	-33.2	-178.8	0	0	0	0	0	112.4	V651 H655 K660 L661	V651-A658 HydrophobicContact CG1-CB 3.98Å; V651-A658 HydrophobicContact CG2-CB 3.81Å; H655-A658 WeakPolarHBondContact O-CB 3.35Å; H655-A658 PolarHBondContact O-N 3.39Å; A658-K660 PolarHBondContact O-N 3.17Å; A658-K660 VanDerWaalsContact O-N 3.08Å; A658-L661 VanDerWaalsContact O-CB 3.32Å; A658-L661 WeakPolarHBondContact O-CB 3.47Å; A658-L661 PolarHBondContact O-N 2.89Å
659	N	90.4	Very high	89.5	Confident	123 Å²	123	70.7 Å²	70.7	66%	0.658	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-61.6	-17.7	176.6	-61.3	-9.5	0	0	0	113.4	R657 L661 T662 D663	R657-N659 PolarHBondContact O-N 2.94Å; N659-L661 PolarHBondContact O-N 3.35Å; N659-T662 PolarHBondContact O-N 3.45Å; N659-T662 PolarHBondContact O-OG1 3.38Å; N659-D663 PolarHBondContact O-N 3.28Å
660	K	90.9	Very high	89.6	Confident	82 Å²	82	69.3 Å²	69.3	36%	0.357	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-72.6	-15.8	174.5	-58.7	-48.7	-165.9	177.3	0	113.2	R657 A658 T662 D663 T668	R657-K660 HydrophobicContact CB-CG 4.42Å; R657-K660 VanDerWaalsContact O-CB 3.22Å; R657-K660 WeakPolarHBondContact O-CB 3.39Å; R657-K660 WeakPolarHBondContact O-CG 3.29Å; R657-K660 PolarHBondContact O-N 3.28Å; A658-K660 PolarHBondContact O-N 3.17Å; A658-K660 VanDerWaalsContact O-N 3.08Å; K660-T662 VanDerWaalsContact C-N 3.25Å; K660-T662 PolarHBondContact O-N 3.11Å; K660-D663 WeakPolarHBondContact CD-OD2 3.21Å; K660-D663 IonicContact NZ-OD2 2.67Å; K660-D663 PolarHBondContact NZ-OD2 3.34Å; K660-T668 HydrophobicContact CD-CG2 4.26Å
661	L	90.1	Very high	89.7	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-74.9	-18.3	174.8	-69.8	169.7	0	0	0	112.9	V649 V651 A658 N659 W670 I681 V766 G768 F769	V649-L661 HydrophobicContact CG1-CD1 4.37Å; V651-L661 HydrophobicContact CG1-CD1 3.63Å; A658-L661 VanDerWaalsContact O-CB 3.32Å; A658-L661 WeakPolarHBondContact O-CB 3.47Å; A658-L661 PolarHBondContact O-N 2.89Å; N659-L661 PolarHBondContact O-N 3.35Å; L661-W670 HydrophobicContact CD1-CB 4.11Å; L661-W670 HydrophobicContact CD1-CD2 4.2Å; L661-W670 HydrophobicContact CD1-CE3 4.29Å; L661-W670 HydrophobicContact CD1-CG 4.14Å; L661-W670 HydrophobicContact CD2-CB 3.73Å; L661-W670 HydrophobicContact CD2-CE3 4.29Å; L661-W670 HydrophobicContact CD2-CG 4.45Å; L661-W670 HydrophobicContact CG-CB 3.62Å; L661-W670 HydrophobicContact CG-CG 4.2Å; L661-I681 HydrophobicContact CD1-CD1 3.98Å; L661-I681 HydrophobicContact CD1-CG1 4.27Å; L661-I681 HydrophobicContact CD1-CG2 4.13Å; L661-I681 HydrophobicContact CD2-CD1 4.11Å; L661-V766 HydrophobicContact CD2-CB 3.91Å; L661-V766 HydrophobicContact CD2-CG1 3.73Å; L661-G768 VanDerWaalsContact O-CA 3.28Å; L661-G768 WeakPolarHBondContact O-CA 3.3Å; L661-F769 HydrophobicContact CB-CD1 3.89Å; L661-F769 HydrophobicContact CB-CE1 3.92Å; L661-F769 PolarHBondContact O-N 3.13Å
662	T	87.9	Confident	89.6	Confident	53 Å²	53	67 Å²	67	33%	0.325	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	0.4	-168.1	58.4	0	0	0	0	113.5	W646 V649 N659 K660 K664 F769	W646-T662 HydrophobicContact CH2-CG2 3.53Å; W646-T662 HydrophobicContact CZ2-CG2 3.45Å; W646-T662 VanDerWaalsContact CZ2-CG2 3.45Å; V649-T662 HydrophobicContact CG2-CG2 4.41Å; N659-T662 PolarHBondContact O-N 3.45Å; N659-T662 PolarHBondContact O-OG1 3.38Å; K660-T662 VanDerWaalsContact C-N 3.25Å; K660-T662 PolarHBondContact O-N 3.11Å; T662-K664 PolarHBondContact O-N 3.06Å; T662-F769 HydrophobicContact CG2-CE1 3.54Å; T662-F769 HydrophobicContact CG2-CZ 3.65Å
663	D	85.3	Confident	89.6	Confident	59 Å²	59	69 Å²	69	32%	0.316	34%	0.339	S	S	.	.	S	Bend	trans	-80.9	0.5	-177.5	68.9	5.2	0	0	0	114.3	N659 K660 N665 T668	N659-D663 PolarHBondContact O-N 3.28Å; K660-D663 WeakPolarHBondContact CD-OD2 3.21Å; K660-D663 IonicContact NZ-OD2 2.67Å; K660-D663 PolarHBondContact NZ-OD2 3.34Å; D663-N665 PolarHBondContact O-N 3.01Å; D663-N665 VanDerWaalsContact O-N 3.09Å; D663-N665 PolarHBondContact OD1-N 3.33Å; D663-N665 VanDerWaalsContact OD1-N 3.17Å; D663-T668 PolarHBondContact OD1-OG1 2.88Å; D663-T668 VanDerWaalsContact OD1-OG1 3.06Å; D663-T668 PolarHBondContact OD2-OG1 3.44Å
664	K	81.3	Confident	89.3	Confident	160 Å²	160	69.3 Å²	69.3	70%	0.696	35%	0.346	S	S	*	.			trans	55.5	20	180	-60.3	-172.7	175.3	-170.8	0	113.9	D643 T662	D643-K664 IonicContact OD2-NZ 3.38Å; D643-K664 PolarHBondContact OD2-NZ 3.48Å; T662-K664 PolarHBondContact O-N 3.06Å
665	N	84	Confident	89.1	Confident	65 Å²	65	72.2 Å²	72.2	35%	0.348	37%	0.368	S	S	.	.			trans	-103.2	113.8	178.7	178.2	1.9	0	0	0	110.2	D663 K667 T668	D663-N665 PolarHBondContact O-N 3.01Å; D663-N665 VanDerWaalsContact O-N 3.09Å; D663-N665 PolarHBondContact OD1-N 3.33Å; D663-N665 VanDerWaalsContact OD1-N 3.17Å; N665-K667 PolarHBondContact O-N 3.2Å; N665-K667 WeakPolarHBondContact OD1-CB 3.42Å; N665-K667 PolarHBondContact OD1-N 2.98Å; N665-T668 WeakPolarHBondContact CB-OG1 3.4Å; N665-T668 PolarHBondContact O-N 3.37Å; N665-T668 VanDerWaalsContact O-N 3.17Å; N665-T668 PolarHBondContact O-OG1 3.38Å
666	P	81.2	Confident	88.8	Confident	93 Å²	93	69.9 Å²	69.9	60%	0.604	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-4.1	-176	30.9	-36.8	0	0	0	113.8	H767	P666-H767 PolarHBondContact O-ND1 3.49Å
667	K	85.6	Confident	88.4	Confident	180 Å²	180	64.3 Å²	64.3	78%	0.783	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-10.6	176.5	-62	-174.1	177.2	-177.1	0	113.1	N665	N665-K667 PolarHBondContact O-N 3.2Å; N665-K667 WeakPolarHBondContact OD1-CB 3.42Å; N665-K667 PolarHBondContact OD1-N 2.98Å
668	T	91.4	Very high	88.4	Confident	27 Å²	27	62.5 Å²	62.5	17%	0.166	34%	0.344	C	S	.	.			trans	-107.3	149	-179.9	40.3	0	0	0	0	110.4	K660 D663 N665 H767	K660-T668 HydrophobicContact CD-CG2 4.26Å; D663-T668 PolarHBondContact OD1-OG1 2.88Å; D663-T668 VanDerWaalsContact OD1-OG1 3.06Å; D663-T668 PolarHBondContact OD2-OG1 3.44Å; N665-T668 WeakPolarHBondContact CB-OG1 3.4Å; N665-T668 PolarHBondContact O-N 3.37Å; N665-T668 VanDerWaalsContact O-N 3.17Å; N665-T668 PolarHBondContact O-OG1 3.38Å; T668-H767 WeakPolarHBondContact O-CA 3.47Å; T668-H767 PolarHBondContact O-ND1 3.34Å
669	Y	94.3	Very high	88.7	Confident	71 Å²	71	61.9 Å²	61.9	28%	0.278	34%	0.339	S	S	.	.			trans	-142.6	150.8	-176.3	55.6	-92.6	0	0	0	111.9	E671 R765 V766	Y669-E671 HydrophobicContact CD2-CB 4.12Å; Y669-E671 HydrophobicContact CE2-CB 4.14Å; Y669-R765 HydrophobicContact CD2-CB 4.27Å; Y669-R765 HydrophobicContact CD2-CG 3.74Å; Y669-R765 HydrophobicContact CE2-CG 4.03Å; Y669-R765 HydrophobicContact CG-CG 4.43Å; Y669-V766 WeakPolarHBondContact CA-O 3.11Å
670	W	95.9	Very high	88.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.8	159	170	72.7	0	0	0	108.9	V651 S652 S653 L661 S672 I681 R765 V766	V651-W670 HydrophobicContact CB-CH2 4.32Å; V651-W670 HydrophobicContact CB-CZ2 3.56Å; V651-W670 HydrophobicContact CG1-CD2 4.34Å; V651-W670 HydrophobicContact CG1-CZ2 4.09Å; V651-W670 HydrophobicContact CG2-CZ2 4.3Å; S652-W670 WeakPolarHBondContact OG-CH2 3.16Å; S653-W670 PolarHBondContact O-NE1 2.9Å; L661-W670 HydrophobicContact CD1-CB 4.11Å; L661-W670 HydrophobicContact CD1-CD2 4.2Å; L661-W670 HydrophobicContact CD1-CE3 4.29Å; L661-W670 HydrophobicContact CD1-CG 4.14Å; L661-W670 HydrophobicContact CD2-CB 3.73Å; L661-W670 HydrophobicContact CD2-CE3 4.29Å; L661-W670 HydrophobicContact CD2-CG 4.45Å; L661-W670 HydrophobicContact CG-CB 3.62Å; L661-W670 HydrophobicContact CG-CG 4.2Å; W670-S672 VanDerWaalsContact CH2-CB 3.44Å; W670-S672 VanDerWaalsContact CZ2-CB 3.42Å; W670-I681 HydrophobicContact CE3-CD1 3.93Å; W670-I681 HydrophobicContact CE3-CG1 4.08Å; W670-I681 HydrophobicContact CH2-CG1 3.86Å; W670-I681 HydrophobicContact CZ3-CD1 3.66Å; W670-I681 HydrophobicContact CZ3-CG1 3.48Å; W670-I681 VanDerWaalsContact CZ3-CG1 3.48Å; W670-R765 WeakPolarHBondContact O-CA 3.2Å; W670-V766 HydrophobicContact CE3-CB 4.25Å; W670-V766 HydrophobicContact CE3-CG2 4.31Å; W670-V766 HydrophobicContact CZ3-CG2 4.43Å; W670-V766 PolarHBondContact N-O 2.85Å; W670-V766 PolarHBondContact O-N 3.05Å
671	E	94.6	Very high	89.1	Confident	27 Å²	27	54.9 Å²	54.9	13%	0.126	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.1	176.1	-176.5	178.4	83.3	0	0	108.1	N654 Y669 T764 R765	N654-E671 VanDerWaalsContact CB-O 3.3Å; N654-E671 WeakPolarHBondContact CB-O 3.34Å; N654-E671 PolarHBondContact ND2-O 2.75Å; Y669-E671 HydrophobicContact CD2-CB 4.12Å; Y669-E671 HydrophobicContact CE2-CB 4.14Å; E671-T764 CarbonylContact C-O 3.48Å; E671-T764 VanDerWaalsContact CA-O 3.31Å; E671-T764 WeakPolarHBondContact CA-O 3.33Å; E671-R765 HydrophobicContact CB-CG 4.06Å; E671-R765 HydrophobicContact CG-CG 3.98Å; E671-R765 IonicContact OE2-CZ 3.18Å; E671-R765 VanDerWaalsContact OE2-CZ 3.27Å; E671-R765 IonicContact OE2-NE 3.92Å; E671-R765 PolarHBondContact OE2-NE 2.88Å; E671-R765 IonicContact OE2-NH2 2.81Å; E671-R765 PolarHBondContact OE2-NH2 2.97Å
672	S	94.3	Very high	89.4	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.2	174.2	-170.6	0	0	0	0	110.7	S652 S653 W670 H679 D763 T764	S652-S672 PolarHBondContact OG-OG 2.86Å; S653-S672 WeakPolarHBondContact OG-CA 3.32Å; S653-S672 PolarHBondContact OG-OG 3.41Å; W670-S672 VanDerWaalsContact CH2-CB 3.44Å; W670-S672 VanDerWaalsContact CZ2-CB 3.42Å; S672-H679 WeakPolarHBondContact CB-ND1 3.5Å; S672-H679 PolarHBondContact OG-ND1 3Å; S672-D763 WeakPolarHBondContact O-CA 3.45Å; S672-D763 WeakPolarHBondContact O-CB 3.36Å; S672-T764 PolarHBondContact N-O 2.93Å; S672-T764 PolarHBondContact O-N 2.74Å; S672-T764 VanDerWaalsContact O-N 3.15Å
673	N	91.4	Very high	89.7	Confident	71 Å²	71	52.9 Å²	52.9	38%	0.38	29%	0.29	S	S	.	.			trans	-98.8	131.4	173.4	-55.2	-11.5	0	0	0	108.7	S653 N654 D763	S653-N673 WeakPolarHBondContact CB-O 3.4Å; S653-N673 PolarHBondContact OG-N 3.03Å; S653-N673 PolarHBondContact OG-O 3.01Å; N654-N673 PolarHBondContact ND2-ND2 3.49Å; N673-D763 VanDerWaalsContact CA-OD1 3.31Å; N673-D763 WeakPolarHBondContact CA-OD1 3.17Å
674	G	87.5	Confident	90	Very high	28 Å²	28	51.5 Å²	51.5	29%	0.289	28%	0.281	S	S	.	.	S	Bend	trans	166.7	-179.7	-177.4	0	0	0	0	0	113.4	I762 D763	G674-I762 WeakPolarHBondContact O-CG2 3.49Å; G674-D763 PolarHBondContact N-OD1 2.82Å
675	C	86.2	Confident	90.2	Very high	100 Å²	100	44.3 Å²	44.3	68%	0.676	25%	0.25	S	C	*	.	S	Bend	trans	-74.9	149.8	174.9	-61.3	0	0	0	0	111	G677 S678	C675-G677 PolarHBondContact O-N 3.21Å; C675-G677 VanDerWaalsContact O-N 3.13Å; C675-S678 PolarHBondContact N-OG 3.36Å; C675-S678 VanDerWaalsContact O-CB 3.3Å; C675-S678 WeakPolarHBondContact O-CB 3.26Å; C675-S678 PolarHBondContact O-N 3.43Å; C675-S678 PolarHBondContact O-OG 3.43Å
676	T	84.4	Confident	90.1	Very high	79 Å²	79	43.9 Å²	43.9	49%	0.485	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	123.6	177.8	-51.3	0	0	0	0	111.6
677	G	81.5	Confident	89.6	Confident	21 Å²	21	45.4 Å²	45.4	22%	0.216	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-3.2	-179.3	0	0	0	0	0	115.5	C675 I754	C675-G677 PolarHBondContact O-N 3.21Å; C675-G677 VanDerWaalsContact O-N 3.13Å; G677-I754 WeakPolarHBondContact CA-O 3.3Å
678	S	89.3	Confident	88.6	Confident	56 Å²	56	37.3 Å²	37.3	39%	0.392	21%	0.211	S	C	.	.			trans	-87.7	-10.8	176.6	78.9	0	0	0	0	113.9	C675 F680	C675-S678 PolarHBondContact N-OG 3.36Å; C675-S678 VanDerWaalsContact O-CB 3.3Å; C675-S678 WeakPolarHBondContact O-CB 3.26Å; C675-S678 PolarHBondContact O-N 3.43Å; C675-S678 PolarHBondContact O-OG 3.43Å; S678-F680 WeakPolarHBondContact O-CD1 3.25Å
679	H	94.9	Very high	87.8	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.4	-176.6	-35.1	-78.9	0	0	0	111.5	S652 S672 R753 I754 I762 T764	S652-H679 WeakPolarHBondContact OG-CA 3.28Å; S672-H679 WeakPolarHBondContact CB-ND1 3.5Å; S672-H679 PolarHBondContact OG-ND1 3Å; H679-R753 WeakPolarHBondContact O-CA 3.43Å; H679-I754 HydrophobicContact CB-CB 4.23Å; H679-I754 HydrophobicContact CB-CD1 4.34Å; H679-I754 PolarHBondContact O-N 2.9Å; H679-I762 PolarHBondContact CE1-O 3.47Å; H679-I762 VanDerWaalsContact CE1-O 3.32Å; H679-I762 PolarHBondContact NE2-O 3.32Å; H679-T764 HydrophobicContact CB-CG2 3.68Å
680	F	94.7	Very high	87	Confident	57 Å²	57	34.7 Å²	34.7	25%	0.25	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.9	177.1	67.7	-97.4	0	0	0	112.3	V651 S652 S678 N682 Q751 I752	V651-F680 CarbonylContact C-O 3.52Å; S652-F680 VanDerWaalsContact CB-CD1 3.49Å; S652-F680 VanDerWaalsContact CB-N 3.33Å; S652-F680 PolarHBondContact N-O 3.15Å; S652-F680 PolarHBondContact OG-N 2.7Å; S652-F680 PolarHBondContact OG-O 2.84Å; S678-F680 WeakPolarHBondContact O-CD1 3.25Å; F680-N682 WeakPolarHBondContact CD2-OD1 3.33Å; F680-Q751 HydrophobicContact CB-CG 4.1Å; F680-I752 CarbonylContact C-O 3.54Å; F680-I752 WeakPolarHBondContact CA-O 3.24Å
681	I	96.3	Very high	86.3	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.6	169.3	-54.9	169.3	0	0	0	106.3	V649 E650 V651 L661 W670 I683 Q751 I752 V766	V649-I681 HydrophobicContact CG1-CG2 3.71Å; E650-I681 CarbonylContact O-C 3.46Å; E650-I681 WeakPolarHBondContact O-CA 3.38Å; V651-I681 HydrophobicContact CG1-CG1 4.47Å; V651-I681 HydrophobicContact CG1-CG2 4.43Å; L661-I681 HydrophobicContact CD1-CD1 3.98Å; L661-I681 HydrophobicContact CD1-CG1 4.27Å; L661-I681 HydrophobicContact CD1-CG2 4.13Å; L661-I681 HydrophobicContact CD2-CD1 4.11Å; W670-I681 HydrophobicContact CE3-CD1 3.93Å; W670-I681 HydrophobicContact CE3-CG1 4.08Å; W670-I681 HydrophobicContact CH2-CG1 3.86Å; W670-I681 HydrophobicContact CZ3-CD1 3.66Å; W670-I681 HydrophobicContact CZ3-CG1 3.48Å; W670-I681 VanDerWaalsContact CZ3-CG1 3.48Å; I681-I683 HydrophobicContact CG2-CG1 4.32Å; I681-Q751 CarbonylContact O-C 3.59Å; I681-Q751 WeakPolarHBondContact O-CA 3.39Å; I681-I752 HydrophobicContact CB-CB 4.34Å; I681-I752 PolarHBondContact N-O 3.28Å; I681-I752 PolarHBondContact O-N 2.83Å; I681-V766 HydrophobicContact CD1-CB 4.48Å; I681-V766 HydrophobicContact CD1-CG1 4.34Å; I681-V766 HydrophobicContact CD1-CG2 4.37Å
682	N	95	Very high	85.8	Confident	12 Å²	12	38.1 Å²	38.1	6%	0.064	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.3	173.4	-67.3	-14.1	0	0	0	108.9	V649 E650 F680 Y684 I749 I750 Q751	V649-N682 CarbonylContact C-O 3.54Å; V649-N682 WeakPolarHBondContact CA-O 3.5Å; E650-N682 HydrophobicContact CB-CB 4.19Å; E650-N682 PolarHBondContact N-O 3.32Å; E650-N682 PolarHBondContact O-N 3.41Å; F680-N682 WeakPolarHBondContact CD2-OD1 3.33Å; N682-Y684 HydrophobicContact CB-CE2 4.06Å; N682-I749 HydrophobicContact CB-CG2 4.38Å; N682-I750 WeakPolarHBondContact CA-O 3.49Å; N682-Q751 WeakPolarHBondContact OD1-CB 3.3Å; N682-Q751 VanDerWaalsContact OD1-CG 3.24Å; N682-Q751 WeakPolarHBondContact OD1-CG 3.19Å; N682-Q751 PolarHBondContact OD1-NE2 2.98Å
683	I	94.5	Very high	85.4	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.6	175.3	-55	173.6	0	0	0	107.4	W646 I681 M685 L694 I749 I750 I752 F769 V771	W646-I683 HydrophobicContact CB-CG2 3.68Å; W646-I683 HydrophobicContact CG-CG2 4.1Å; I681-I683 HydrophobicContact CG2-CG1 4.32Å; I683-M685 HydrophobicContact CG2-SD 3.8Å; I683-L694 HydrophobicContact CD1-CD1 3.88Å; I683-I749 WeakPolarHBondContact O-CA 3.44Å; I683-I750 PolarHBondContact N-O 3.18Å; I683-I750 PolarHBondContact O-N 3.08Å; I683-I752 HydrophobicContact CD1-CD1 3.83Å; I683-F769 HydrophobicContact CD1-CD2 3.78Å; I683-F769 HydrophobicContact CD1-CE2 3.92Å; I683-F769 HydrophobicContact CD1-CG 4.16Å; I683-F769 HydrophobicContact CD1-CZ 4.42Å; I683-F769 HydrophobicContact CG1-CE2 4.42Å; I683-V771 HydrophobicContact CD1-CG2 4.44Å
684	Y	91.6	Very high	85.5	Confident	29 Å²	29	36.2 Å²	36.2	11%	0.114	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.4	175.7	-69.7	-100.4	0	0	0	108.6	W646 E647 K648 E650 N682 P718 I749	W646-Y684 CarbonylContact C-O 3.47Å; W646-Y684 WeakPolarHBondContact CA-O 3.48Å; W646-Y684 WeakPolarHBondContact CB-O 3.28Å; E647-Y684 PolarHBondContact N-O 3.02Å; K648-Y684 HydrophobicContact CD-CD2 4.09Å; K648-Y684 HydrophobicContact CD-CE2 4.47Å; K648-Y684 HydrophobicContact CD-CG 4.23Å; K648-Y684 HydrophobicContact CG-CD1 4.49Å; K648-Y684 HydrophobicContact CG-CD2 3.58Å; K648-Y684 HydrophobicContact CG-CE2 4.41Å; K648-Y684 HydrophobicContact CG-CG 3.64Å; K648-Y684 WeakPolarHBondContact O-CB 3.46Å; K648-Y684 PolarHBondContact O-N 2.82Å; E650-Y684 HydrophobicContact CB-CE2 4.2Å; E650-Y684 VanDerWaalsContact CD-CE2 3.43Å; E650-Y684 HydrophobicContact CG-CE2 3.77Å; E650-Y684 PolarHBondContact OE2-OH 2.93Å; N682-Y684 HydrophobicContact CB-CE2 4.06Å; Y684-P718 HydrophobicContact CE1-CG 4.44Å; Y684-I749 HydrophobicContact CD1-CD1 4.1Å; Y684-I749 HydrophobicContact CD1-CG1 3.83Å; Y684-I749 HydrophobicContact CE1-CD1 3.56Å; Y684-I749 HydrophobicContact CE1-CG1 3.8Å
685	M	86.8	Confident	85.8	Confident	9 Å²	9	34.9 Å²	34.9	4%	0.044	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.3	-173.4	-63.8	-61.3	-62.6	0	0	111.1	C645 W646 I683 V689 I691 F746 W747 S748 I750 V771	C645-M685 HydrophobicContact CB-CE 4.39Å; C645-M685 VanDerWaalsContact O-CE 3.26Å; C645-M685 WeakPolarHBondContact O-CE 3.38Å; W646-M685 HydrophobicContact CB-SD 4.07Å; I683-M685 HydrophobicContact CG2-SD 3.8Å; M685-V689 HydrophobicContact CE-CB 4.23Å; M685-V689 HydrophobicContact CE-CG1 3.71Å; M685-I691 HydrophobicContact CE-CD1 3.72Å; M685-I691 HydrophobicContact CE-CG1 3.6Å; M685-I691 HydrophobicContact SD-CD1 3.99Å; M685-F746 HydrophobicContact CB-CE2 4.01Å; M685-W747 WeakPolarHBondContact CB-O 3.35Å; M685-W747 WeakPolarHBondContact CG-O 3.42Å; M685-S748 PolarHBondContact N-O 3.44Å; M685-I750 HydrophobicContact CG-CD1 4.27Å; M685-I750 HydrophobicContact CG-CG1 4.4Å; M685-V771 HydrophobicContact CE-CG1 3.97Å; M685-V771 HydrophobicContact SD-CG1 4.39Å
686	H	80	Confident	86.2	Confident	57 Å²	57	30.1 Å²	30.1	26%	0.264	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-62.6	142.4	168.6	-80.4	-56.6	0	0	0	110.3	L640 K644 C645 G688 V689 F746	L640-H686 HydrophobicContact CD1-CB 4.11Å; K644-H686 PolarHBondContact O-CD2 2.91Å; C645-H686 PolarHBondContact O-N 2.6Å; H686-G688 PolarHBondContact O-N 3.38Å; H686-V689 HydrophobicContact CB-CG2 3.7Å; H686-V689 VanDerWaalsContact O-CB 3.3Å; H686-V689 WeakPolarHBondContact O-CB 3.35Å; H686-V689 VanDerWaalsContact O-CG2 3.27Å; H686-V689 WeakPolarHBondContact O-CG2 3.47Å; H686-V689 PolarHBondContact O-N 2.81Å; H686-V689 VanDerWaalsContact O-N 3.16Å; H686-F746 WeakPolarHBondContact O-CE2 3.21Å
687	K	71.7	Confident	86.7	Confident	124 Å²	124	28.1 Å²	28.1	54%	0.539	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	130.5	-174.9	-165.5	176.4	177.5	-174.5	0	111.6	V689 F746	K687-V689 VanDerWaalsContact C-N 3.32Å; K687-V689 PolarHBondContact O-N 3.04Å; K687-F746 HydrophobicContact CG-CE1 4.38Å; K687-F746 HydrophobicContact CG-CZ 4.46Å
688	G	64.9	Low	87.3	Confident	11 Å²	11	27.4 Å²	27.4	11%	0.113	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	3.7	178.3	0	0	0	0	0	115.1	H686 V690	H686-G688 PolarHBondContact O-N 3.38Å; G688-V690 PolarHBondContact O-N 2.86Å
689	V	74	Confident	87.5	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	12%	0.124	C	C	.	.			trans	-82.7	105.2	179.4	178.2	0	0	0	0	111.4	L640 C645 M685 H686 K687 F746	L640-V689 HydrophobicContact CD1-CG2 3.26Å; C645-V689 HydrophobicContact CB-CG1 3.88Å; M685-V689 HydrophobicContact CE-CB 4.23Å; M685-V689 HydrophobicContact CE-CG1 3.71Å; H686-V689 HydrophobicContact CB-CG2 3.7Å; H686-V689 VanDerWaalsContact O-CB 3.3Å; H686-V689 WeakPolarHBondContact O-CB 3.35Å; H686-V689 VanDerWaalsContact O-CG2 3.27Å; H686-V689 WeakPolarHBondContact O-CG2 3.47Å; H686-V689 PolarHBondContact O-N 2.81Å; H686-V689 VanDerWaalsContact O-N 3.16Å; K687-V689 VanDerWaalsContact C-N 3.32Å; K687-V689 PolarHBondContact O-N 3.04Å; V689-F746 WeakPolarHBondContact O-CD2 3.37Å
690	V	77	Confident	87.2	Confident	41 Å²	41	29.1 Å²	29.1	25%	0.248	15%	0.147	C	C	.	.			trans	-84.6	126.3	174	-174.6	0	0	0	0	110.2	G688 R692 M743 F746 P774	G688-V690 PolarHBondContact O-N 2.86Å; V690-R692 PolarHBondContact O-N 3.4Å; V690-M743 HydrophobicContact CG1-CB 4.13Å; V690-M743 WeakPolarHBondContact CG1-O 3.26Å; V690-F746 HydrophobicContact CG2-CB 4.35Å; V690-P774 WeakPolarHBondContact O-CD 3.49Å
691	I	82.8	Confident	87.1	Confident	6 Å²	6	34.9 Å²	34.9	3%	0.031	18%	0.175	C	C	.	.			trans	-74.8	122.4	-176	-65	-169.9	0	0	0	111.3	M685 Q693 L694 M743 I750 V771	M685-I691 HydrophobicContact CE-CD1 3.72Å; M685-I691 HydrophobicContact CE-CG1 3.6Å; M685-I691 HydrophobicContact SD-CD1 3.99Å; I691-Q693 VanDerWaalsContact CG2-C 3.41Å; I691-L694 HydrophobicContact CD1-CB 4.5Å; I691-L694 HydrophobicContact CG2-CB 3.98Å; I691-M743 HydrophobicContact CB-CB 4.47Å; I691-M743 HydrophobicContact CB-CG 4.13Å; I691-M743 WeakPolarHBondContact O-CB 3.21Å; I691-M743 PolarHBondContact O-N 2.95Å; I691-I750 HydrophobicContact CD1-CD1 3.08Å; I691-I750 HydrophobicContact CG1-CD1 4.2Å; I691-V771 HydrophobicContact CD1-CG1 3.99Å; I691-V771 HydrophobicContact CG1-CG1 4.2Å
692	R	82.2	Confident	86.8	Confident	93 Å²	93	35.3 Å²	35.3	35%	0.351	18%	0.178	S	C	.	.	S	Bend	trans	-80.9	-41.3	168.9	-172	177.2	71.8	96	-8.7	111.3	V690 E741 N742 L772 G773	V690-R692 PolarHBondContact O-N 3.4Å; R692-E741 CarbonylContact O-C 3.6Å; R692-E741 WeakPolarHBondContact O-CA 3.33Å; R692-N742 PolarHBondContact O-N 2.77Å; R692-L772 PolarHBondContact N-O 3.38Å; R692-G773 WeakPolarHBondContact CB-O 3.34Å
693	Q	86.6	Confident	86.6	Confident	32 Å²	32	37.4 Å²	37.4	15%	0.15	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	134.9	174.1	-169.6	174.8	64.6	0	0	110.3	I691 V738 L740 E741 L772	I691-Q693 VanDerWaalsContact CG2-C 3.41Å; Q693-V738 HydrophobicContact CG-CG1 3.68Å; Q693-L740 CarbonylContact C-O 3.52Å; Q693-L740 VanDerWaalsContact CA-O 3.31Å; Q693-L740 WeakPolarHBondContact CA-O 3.38Å; Q693-E741 HydrophobicContact CG-CG 4.25Å; Q693-E741 PolarHBondContact NE2-OE1 3.31Å; Q693-L772 HydrophobicContact CB-CB 4.14Å; Q693-L772 HydrophobicContact CB-CD1 4.11Å; Q693-L772 HydrophobicContact CB-CG 4.5Å; Q693-L772 PolarHBondContact N-O 3.35Å; Q693-L772 VanDerWaalsContact N-O 3.16Å; Q693-L772 PolarHBondContact O-N 3.2Å
694	L	93.3	Very high	86.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.6	167.3	173	66.5	0	0	0	107.3	I683 I691 L739 L740 I750 I752 E770 V771	I683-L694 HydrophobicContact CD1-CD1 3.88Å; I691-L694 HydrophobicContact CD1-CB 4.5Å; I691-L694 HydrophobicContact CG2-CB 3.98Å; L694-L739 HydrophobicContact CD2-CB 4.34Å; L694-L739 HydrophobicContact CG-CB 4.24Å; L694-L739 WeakPolarHBondContact O-CA 3.21Å; L694-L739 WeakPolarHBondContact O-CB 3.3Å; L694-L739 PolarHBondContact O-N 3.43Å; L694-L740 HydrophobicContact CB-CB 4.04Å; L694-L740 HydrophobicContact CB-CD1 4.46Å; L694-L740 HydrophobicContact CB-CG 4.42Å; L694-L740 HydrophobicContact CD2-CD1 3.89Å; L694-L740 HydrophobicContact CD2-CG 4.21Å; L694-L740 PolarHBondContact N-O 3.16Å; L694-L740 PolarHBondContact O-N 3.48Å; L694-L740 VanDerWaalsContact O-N 3.15Å; L694-I750 HydrophobicContact CD2-CG2 3.93Å; L694-I752 HydrophobicContact CD2-CD1 4.23Å; L694-I752 HydrophobicContact CD2-CG1 4.38Å; L694-E770 CarbonylContact C-O 3.5Å; L694-E770 WeakPolarHBondContact CA-O 3.24Å; L694-V771 HydrophobicContact CD1-CG2 3.72Å
695	A	93.9	Very high	86.5	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.3	176.3	0	0	0	0	0	111	R736 V737 V738 F769 E770	A695-R736 HydrophobicContact CB-CG 4.33Å; A695-V737 CarbonylContact C-O 3.51Å; A695-V737 WeakPolarHBondContact CA-O 3.32Å; A695-V737 WeakPolarHBondContact CB-O 3.37Å; A695-V738 HydrophobicContact CB-CG2 4.31Å; A695-F769 CarbonylContact O-C 3.5Å; A695-F769 VanDerWaalsContact O-CA 3.29Å; A695-F769 WeakPolarHBondContact O-CA 3.44Å; A695-E770 HydrophobicContact CB-CB 4.49Å; A695-E770 PolarHBondContact N-O 3.45Å; A695-E770 PolarHBondContact O-N 3.07Å
696	I	95.3	Very high	86.9	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152.5	169.5	61.7	158.4	0	0	0	110.8	V698 I710 R736 V737 L739 I752 V766 G768 F769	I696-V698 HydrophobicContact CD1-CG1 3.85Å; I696-V698 HydrophobicContact CG1-CG1 4.45Å; I696-I710 HydrophobicContact CD1-CD1 3.26Å; I696-I710 HydrophobicContact CG1-CD1 4.32Å; I696-R736 WeakPolarHBondContact O-CA 3.38Å; I696-V737 HydrophobicContact CG1-CB 4.06Å; I696-V737 PolarHBondContact N-O 3.16Å; I696-V737 PolarHBondContact O-N 2.99Å; I696-L739 HydrophobicContact CB-CD1 4.48Å; I696-L739 HydrophobicContact CG1-CD1 4.25Å; I696-L739 HydrophobicContact CG1-CD2 4.31Å; I696-L739 HydrophobicContact CG1-CG 4.27Å; I696-L739 HydrophobicContact CG2-CD1 3.55Å; I696-L739 HydrophobicContact CG2-CG 4.28Å; I696-I752 HydrophobicContact CG2-CD1 4.02Å; I696-V766 HydrophobicContact CB-CG1 4.36Å; I696-G768 WeakPolarHBondContact CA-O 3.31Å; I696-F769 HydrophobicContact CG2-CB 4.05Å
697	L	94.7	Very high	87.7	Confident	37 Å²	37	38 Å²	38	19%	0.194	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.3	175.5	-57.3	177.2	0	0	0	109.3	R736 H767 G768	L697-R736 HydrophobicContact CD2-CB 3.98Å; L697-R736 HydrophobicContact CD2-CG 3.89Å; L697-H767 HydrophobicContact CB-CB 4.07Å; L697-H767 PolarHBondContact O-N 3.37Å; L697-G768 PolarHBondContact N-O 3.34Å
698	V	94.7	Very high	88.8	Confident	6 Å²	6	32.8 Å²	32.8	4%	0.036	18%	0.178	C	C	.	.			trans	-135.9	157.6	-178.5	-69.1	0	0	0	0	108.6	I696 M706 P707 V730 A734 S735 V737	I696-V698 HydrophobicContact CD1-CG1 3.85Å; I696-V698 HydrophobicContact CG1-CG1 4.45Å; V698-M706 HydrophobicContact CB-CE 4.02Å; V698-M706 HydrophobicContact CB-CG 4.44Å; V698-M706 HydrophobicContact CG2-CE 3.59Å; V698-P707 HydrophobicContact CG1-CG 3.98Å; V698-V730 HydrophobicContact CG2-CG1 4.4Å; V698-A734 HydrophobicContact CG2-CB 4.4Å; V698-A734 WeakPolarHBondContact CG2-O 3.04Å; V698-S735 PolarHBondContact N-O 2.93Å; V698-S735 CarbonylContact O-C 3.56Å; V698-S735 VanDerWaalsContact O-CA 3.24Å; V698-S735 WeakPolarHBondContact O-CA 3.45Å; V698-V737 HydrophobicContact CG2-CG2 3.87Å
699	A	92.3	Very high	90.2	Very high	21 Å²	21	38 Å²	38	17%	0.174	19%	0.194	C	C	.	.			trans	-123.5	133.7	177.2	0	0	0	0	0	110.5	E701 D702 H767	A699-E701 PolarHBondContact O-N 2.87Å; A699-D702 WeakPolarHBondContact O-CB 3.5Å; A699-D702 PolarHBondContact O-N 2.8Å; A699-D702 VanDerWaalsContact O-N 3.13Å; A699-H767 VanDerWaalsContact CB-NE2 3.34Å; A699-H767 WeakPolarHBondContact CB-NE2 3.37Å
700	S	89.8	Confident	91.3	Very high	71 Å²	71	37.9 Å²	37.9	50%	0.497	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-63	-23.9	173.5	55.6	0	0	0	0	112.5	D702 S703 A732	S700-D702 PolarHBondContact O-N 2.83Å; S700-S703 PolarHBondContact O-N 2.96Å; S700-A732 WeakPolarHBondContact CB-O 3.41Å
701	E	90.8	Very high	92.2	Very high	179 Å²	179	36.7 Å²	36.7	84%	0.836	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-63.5	-21.8	175.8	-60.6	178.1	-166.5	0	0	112.8	A699 S703	A699-E701 PolarHBondContact O-N 2.87Å; E701-S703 PolarHBondContact O-N 2.81Å
702	D	91	Very high	92.9	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.053	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-73.4	-10.5	179.4	-74.6	-40.1	0	0	0	113.6	A699 S700 S704 Y705 M706 R765 H767	A699-D702 WeakPolarHBondContact O-CB 3.5Å; A699-D702 PolarHBondContact O-N 2.8Å; A699-D702 VanDerWaalsContact O-N 3.13Å; S700-D702 PolarHBondContact O-N 2.83Å; D702-S704 PolarHBondContact O-N 3.13Å; D702-Y705 PolarHBondContact O-N 2.93Å; D702-M706 HydrophobicContact CB-CB 4.24Å; D702-R765 WeakPolarHBondContact OD1-CD 3.43Å; D702-R765 IonicContact OD1-NH1 3.56Å; D702-R765 PolarHBondContact OD1-NH1 2.88Å; D702-H767 IonicContact OD1-NE2 2.9Å; D702-H767 IonicContact OD2-CD2 3.78Å; D702-H767 PolarHBondContact OD2-CD2 3.05Å; D702-H767 IonicContact OD2-CE1 3.63Å; D702-H767 IonicContact OD2-NE2 2.97Å; D702-H767 PolarHBondContact OD2-NE2 3.43Å
703	S	91.3	Very high	93.5	Very high	55 Å²	55	32.6 Å²	32.6	39%	0.385	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	49.5	-109.3	175.6	65.9	0	0	0	0	112.7	S700 E701 Y705 M706 Q758	S700-S703 PolarHBondContact O-N 2.96Å; E701-S703 PolarHBondContact O-N 2.81Å; S703-Y705 VanDerWaalsContact C-N 3.32Å; S703-Y705 PolarHBondContact O-N 2.82Å; S703-M706 WeakPolarHBondContact O-CB 3.22Å; S703-M706 PolarHBondContact O-N 2.91Å; S703-Q758 WeakPolarHBondContact O-CB 3.49Å
704	S	91.9	Very high	93.8	Very high	33 Å²	33	31 Å²	31	23%	0.231	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-69.1	-23.1	179.5	59.7	0	0	0	0	114.3	D702 M706 C757 Q758 G761	D702-S704 PolarHBondContact O-N 3.13Å; S704-M706 VanDerWaalsContact C-N 3.27Å; S704-M706 PolarHBondContact O-N 2.73Å; S704-C757 VanDerWaalsContact O-CB 3.25Å; S704-C757 WeakPolarHBondContact O-CB 3.49Å; S704-Q758 WeakPolarHBondContact CA-O 3.34Å; S704-G761 WeakPolarHBondContact O-CA 3.43Å
705	Y	92.4	Very high	93.7	Very high	73 Å²	73	31.1 Å²	31.1	29%	0.286	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-80.3	-9.8	177.9	-68.1	-103.1	0	0	0	112.4	D702 S703 D763 T764 R765	D702-Y705 PolarHBondContact O-N 2.93Å; S703-Y705 VanDerWaalsContact C-N 3.32Å; S703-Y705 PolarHBondContact O-N 2.82Å; Y705-D763 HydrophobicContact CD1-CB 3.72Å; Y705-D763 HydrophobicContact CE1-CB 3.53Å; Y705-T764 CarbonylContact O-C 3.55Å; Y705-T764 WeakPolarHBondContact O-CA 3.17Å; Y705-T764 PolarHBondContact O-OG1 3.02Å; Y705-R765 HydrophobicContact CD1-CG 4.21Å; Y705-R765 HydrophobicContact CG-CG 4.41Å; Y705-R765 PolarHBondContact O-N 3.15Å
706	M	94.6	Very high	93.1	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	18%	0.183	C	C	.	.	S	Bend	trans	-73.3	132.8	-179.2	-169.2	-174.4	-172.6	0	0	111	V698 D702 S703 S704 V730 A731 A734 C757 Q758	V698-M706 HydrophobicContact CB-CE 4.02Å; V698-M706 HydrophobicContact CB-CG 4.44Å; V698-M706 HydrophobicContact CG2-CE 3.59Å; D702-M706 HydrophobicContact CB-CB 4.24Å; S703-M706 WeakPolarHBondContact O-CB 3.22Å; S703-M706 PolarHBondContact O-N 2.91Å; S704-M706 VanDerWaalsContact C-N 3.27Å; S704-M706 PolarHBondContact O-N 2.73Å; M706-V730 HydrophobicContact CE-CG1 4.02Å; M706-A731 WeakPolarHBondContact CE-O 3.43Å; M706-A734 HydrophobicContact CE-CB 4.22Å; M706-A734 WeakPolarHBondContact CE-O 3.06Å; M706-C757 CarbonylContact O-C 3.6Å; M706-C757 VanDerWaalsContact O-CA 3.23Å; M706-C757 WeakPolarHBondContact O-CA 3.4Å; M706-C757 WeakPolarHBondContact O-CB 3.43Å; M706-Q758 HydrophobicContact CB-CB 4.44Å; M706-Q758 HydrophobicContact CB-CG 3.99Å; M706-Q758 HydrophobicContact CG-CG 4.31Å; M706-Q758 PolarHBondContact O-N 2.89Å; M706-Q758 HydrophobicContact SD-CG 4.28Å
707	P	95.6	Very high	92.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	141	171	-23.6	32.2	0	0	0	112.1	V698 I710 V730 I754 T764 R765 V766	V698-P707 HydrophobicContact CG1-CG 3.98Å; P707-I710 HydrophobicContact CB-CD1 3.9Å; P707-I710 HydrophobicContact CB-CG1 4.06Å; P707-V730 HydrophobicContact CB-CG2 4.48Å; P707-V730 VanDerWaalsContact O-CB 3.27Å; P707-V730 WeakPolarHBondContact O-CB 3.46Å; P707-V730 VanDerWaalsContact O-CG1 3.29Å; P707-V730 WeakPolarHBondContact O-CG1 3.46Å; P707-I754 HydrophobicContact CB-CG2 4.09Å; P707-I754 HydrophobicContact CG-CD1 4.36Å; P707-I754 HydrophobicContact CG-CG2 4.46Å; P707-T764 WeakPolarHBondContact CG-OG1 3.32Å; P707-R765 WeakPolarHBondContact CD-O 3.42Å; P707-V766 HydrophobicContact CG-CG2 4.31Å
708	A	94.9	Very high	91.6	Very high	16 Å²	16	41.8 Å²	41.8	13%	0.132	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-32.4	175	0	0	0	0	0	112.5	V730 R756 Q758	A708-V730 PolarHBondContact O-N 3.03Å; A708-R756 WeakPolarHBondContact CA-O 3.32Å; A708-R756 PolarHBondContact N-O 2.8Å; A708-Q758 HydrophobicContact CB-CG 4.08Å
709	R	95.2	Very high	90.7	Very high	119 Å²	119	46.3 Å²	46.3	45%	0.449	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	127	176.5	-171.8	170.1	176.6	171.8	-1.2	110.9	T727 V728 K755 R756	R709-T727 HydrophobicContact CG-CG2 4.34Å; R709-V728 WeakPolarHBondContact CA-O 3.35Å; R709-K755 PolarHBondContact O-N 2.77Å; R709-R756 HydrophobicContact CB-CB 4.16Å; R709-R756 PolarHBondContact N-O 3Å; R709-R756 PolarHBondContact O-N 2.82Å
710	I	97.2	Very high	90.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.4	-174.3	-59.3	173.2	0	0	0	108.6	I696 P707 V712 T727 V728 V730 L739 I752 I754	I696-I710 HydrophobicContact CD1-CD1 3.26Å; I696-I710 HydrophobicContact CG1-CD1 4.32Å; P707-I710 HydrophobicContact CB-CD1 3.9Å; P707-I710 HydrophobicContact CB-CG1 4.06Å; I710-V712 HydrophobicContact CG2-CG2 4.44Å; I710-T727 CarbonylContact O-C 3.41Å; I710-T727 WeakPolarHBondContact O-CA 3.31Å; I710-V728 PolarHBondContact N-O 3.24Å; I710-V728 PolarHBondContact O-N 2.95Å; I710-V730 HydrophobicContact CD1-CG2 3.65Å; I710-V730 HydrophobicContact CG1-CG2 4.09Å; I710-L739 HydrophobicContact CB-CD2 4.31Å; I710-L739 HydrophobicContact CD1-CD2 4.08Å; I710-L739 HydrophobicContact CG2-CD1 4.33Å; I710-L739 HydrophobicContact CG2-CD2 3.95Å; I710-I752 HydrophobicContact CG2-CG2 3.56Å; I710-I754 HydrophobicContact CG1-CG1 4.45Å
711	L	96	Very high	89.9	Confident	16 Å²	16	46.7 Å²	46.7	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.6	173.9	172.5	66.9	0	0	0	108.1	L713 E724 T727 R753 K755	L711-L713 HydrophobicContact CD1-CD2 4.08Å; L711-L713 HydrophobicContact CD2-CD1 4.4Å; L711-L713 HydrophobicContact CD2-CD2 3.93Å; L711-L713 HydrophobicContact CD2-CG 4.26Å; L711-L713 HydrophobicContact CG-CD2 3.88Å; L711-L713 HydrophobicContact CG-CG 4.14Å; L711-E724 HydrophobicContact CD1-CB 4.44Å; L711-E724 HydrophobicContact CD1-CG 3.55Å; L711-E724 VanDerWaalsContact CD1-OE1 3.32Å; L711-E724 WeakPolarHBondContact CD1-OE1 3.43Å; L711-T727 WeakPolarHBondContact CD1-OG1 3.35Å; L711-R753 HydrophobicContact CB-CB 4.46Å; L711-R753 PolarHBondContact N-O 3.46Å; L711-R753 PolarHBondContact O-N 3.32Å; L711-K755 HydrophobicContact CB-CG 3.97Å; L711-K755 VanDerWaalsContact CD2-CE 3.4Å
712	V	96.9	Very high	89.6	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.1	178.9	-169.5	0	0	0	0	108.5	I710 L725 N726 L739 L740 I750 Q751	I710-V712 HydrophobicContact CG2-CG2 4.44Å; V712-L725 HydrophobicContact CG1-CB 4.43Å; V712-L725 HydrophobicContact CG1-CD1 4.43Å; V712-L725 PolarHBondContact O-N 2.97Å; V712-N726 HydrophobicContact CB-CB 4.48Å; V712-N726 PolarHBondContact N-O 2.95Å; V712-N726 PolarHBondContact O-N 3.31Å; V712-L739 HydrophobicContact CG2-CB 3.94Å; V712-L739 HydrophobicContact CG2-CD1 4.24Å; V712-L739 HydrophobicContact CG2-CG 4.47Å; V712-L740 HydrophobicContact CB-CD2 4.28Å; V712-L740 HydrophobicContact CG1-CD1 3.83Å; V712-L740 HydrophobicContact CG1-CD2 3.99Å; V712-L740 HydrophobicContact CG1-CG 3.97Å; V712-I750 HydrophobicContact CG1-CG2 3.67Å; V712-Q751 CarbonylContact C-O 3.59Å; V712-Q751 WeakPolarHBondContact CA-O 3.48Å
713	L	94.8	Very high	89.6	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.063	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146	-179.7	-56	174.6	0	0	0	110.6	L711 I721 T723 E724 I750 Q751	L711-L713 HydrophobicContact CD1-CD2 4.08Å; L711-L713 HydrophobicContact CD2-CD1 4.4Å; L711-L713 HydrophobicContact CD2-CD2 3.93Å; L711-L713 HydrophobicContact CD2-CG 4.26Å; L711-L713 HydrophobicContact CG-CD2 3.88Å; L711-L713 HydrophobicContact CG-CG 4.14Å; L713-I721 HydrophobicContact CB-CG2 3.82Å; L713-T723 CarbonylContact C-O 3.58Å; L713-T723 WeakPolarHBondContact CA-O 3.27Å; L713-E724 HydrophobicContact CD2-CB 3.99Å; L713-I750 CarbonylContact O-C 3.55Å; L713-I750 WeakPolarHBondContact O-CA 3.42Å; L713-Q751 HydrophobicContact CB-CB 4.27Å; L713-Q751 PolarHBondContact N-O 2.78Å; L713-Q751 PolarHBondContact O-N 2.98Å
714	G	94	Very high	89.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.3	174.2	0	0	0	0	0	111.4	T723	G714-T723 PolarHBondContact N-O 3.1Å; G714-T723 WeakPolarHBondContact O-CB 3.27Å; G714-T723 PolarHBondContact O-N 2.93Å
715	G	90.6	Very high	89.7	Confident	1 Å²	1	50 Å²	50	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.7	174.2	0	0	0	0	0	111.6	N720 S748 I749	G715-N720 WeakPolarHBondContact CA-O 3.5Å; G715-S748 PolarHBondContact O-N 2.94Å; G715-S748 PolarHBondContact O-OG 3.15Å; G715-I749 PolarHBondContact N-O 2.94Å; G715-I749 PolarHBondContact O-N 3.28Å
716	D	82.1	Confident	89.8	Confident	75 Å²	75	49.6 Å²	49.6	40%	0.401	28%	0.275	S	S	.	.	S	Bend	trans	-88.5	-22.9	172.1	-62.2	-49.9	0	0	0	111.3	R745 S748	D716-R745 VanDerWaalsContact CG-NH2 3.29Å; D716-R745 IonicContact OD1-NH2 3.11Å; D716-R745 PolarHBondContact OD1-NH2 3.3Å; D716-R745 IonicContact OD2-NH2 3.3Å; D716-R745 PolarHBondContact OD2-NH2 2.87Å; D716-S748 WeakPolarHBondContact CA-OG 3.12Å; D716-S748 PolarHBondContact O-OG 2.9Å
717	D	80.6	Confident	89.8	Confident	102 Å²	102	51.6 Å²	51.6	55%	0.545	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-140.4	155	178	-76.1	-56.6	0	0	0	111.5	A719 N720	D717-A719 PolarHBondContact O-N 3.43Å; D717-A719 VanDerWaalsContact O-N 3.12Å; D717-N720 CarbonylContact O-C 3.52Å; D717-N720 PolarHBondContact O-N 3.32Å
718	P	77.6	Confident	89.8	Confident	85 Å²	85	52.6 Å²	52.6	55%	0.552	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.2	-179.6	-19.5	28.3	0	0	0	114.2	Y684 I749	Y684-P718 HydrophobicContact CE1-CG 4.44Å; P718-I749 VanDerWaalsContact CA-CD1 3.44Å; P718-I749 HydrophobicContact CB-CD1 3.92Å; P718-I749 HydrophobicContact CG-CD1 3.64Å; P718-I749 VanDerWaalsContact N-CD1 3.29Å
719	A	76.1	Confident	89.8	Confident	101 Å²	101	57.6 Å²	57.6	84%	0.835	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.9	178.1	0	0	0	0	0	113.4	D717	D717-A719 PolarHBondContact O-N 3.43Å; D717-A719 VanDerWaalsContact O-N 3.12Å
720	N	78.4	Confident	89.7	Confident	80 Å²	80	52.4 Å²	52.4	43%	0.428	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-135.6	69.9	-170.7	-166.6	10.6	0	0	0	111.8	G715 D717 N722	G715-N720 WeakPolarHBondContact CA-O 3.5Å; D717-N720 CarbonylContact O-C 3.52Å; D717-N720 PolarHBondContact O-N 3.32Å; N720-N722 PolarHBondContact OD1-ND2 3.34Å
721	I	86.3	Confident	89.4	Confident	20 Å²	20	55.1 Å²	55.1	10%	0.103	32%	0.322	C	S	.	.			trans	-109.3	68.6	178.1	-47.6	173.7	0	0	0	109	L713 I749 Q751	L713-I721 HydrophobicContact CB-CG2 3.82Å; I721-I749 HydrophobicContact CD1-CB 4.42Å; I721-I749 HydrophobicContact CD1-CG2 3.75Å; I721-I749 HydrophobicContact CG1-CG2 4.47Å; I721-Q751 HydrophobicContact CG2-CB 3.8Å
722	N	84.5	Confident	89	Confident	124 Å²	124	57.2 Å²	57.2	66%	0.663	34%	0.342	S	S	*	.			trans	-112.8	-11.8	-169	-58.6	-14	0	0	0	113.2	N720 E724	N720-N722 PolarHBondContact OD1-ND2 3.34Å; N722-E724 PolarHBondContact O-N 3.06Å
723	T	90.6	Very high	88.6	Confident	64 Å²	64	62.2 Å²	62.2	39%	0.393	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.7	-174.4	-46.9	0	0	0	0	109.9	L713 G714 L725 W747	L713-T723 CarbonylContact C-O 3.58Å; L713-T723 WeakPolarHBondContact CA-O 3.27Å; G714-T723 PolarHBondContact N-O 3.1Å; G714-T723 WeakPolarHBondContact O-CB 3.27Å; G714-T723 PolarHBondContact O-N 2.93Å; T723-L725 HydrophobicContact CG2-CD2 4.3Å; T723-L725 PolarHBondContact O-N 3.01Å; T723-W747 HydrophobicContact CG2-CH2 3.67Å; T723-W747 HydrophobicContact CG2-CZ2 4.1Å
724	E	93	Very high	88.3	Confident	120 Å²	120	62.6 Å²	62.6	56%	0.561	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	120	172.2	177.6	166.8	174.8	0	0	110.7	L711 L713 N722 T727	L711-E724 HydrophobicContact CD1-CB 4.44Å; L711-E724 HydrophobicContact CD1-CG 3.55Å; L711-E724 VanDerWaalsContact CD1-OE1 3.32Å; L711-E724 WeakPolarHBondContact CD1-OE1 3.43Å; L713-E724 HydrophobicContact CD2-CB 3.99Å; N722-E724 PolarHBondContact O-N 3.06Å; E724-T727 PolarHBondContact OE1-OG1 2.84Å
725	L	92	Very high	88.1	Confident	38 Å²	38	66.8 Å²	66.8	20%	0.199	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-43.2	178.9	-57.1	-177.9	0	0	0	111.5	V712 T723 L740 M743 W747	V712-L725 HydrophobicContact CG1-CB 4.43Å; V712-L725 HydrophobicContact CG1-CD1 4.43Å; V712-L725 PolarHBondContact O-N 2.97Å; T723-L725 HydrophobicContact CG2-CD2 4.3Å; T723-L725 PolarHBondContact O-N 3.01Å; L725-L740 HydrophobicContact CB-CD2 3.75Å; L725-L740 HydrophobicContact CD1-CD1 4Å; L725-M743 HydrophobicContact CB-CE 4.46Å; L725-M743 HydrophobicContact CD1-CE 4.12Å; L725-M743 HydrophobicContact CD2-CE 4.08Å; L725-M743 HydrophobicContact CG-CE 4.45Å; L725-W747 HydrophobicContact CD1-CG 4.28Å; L725-W747 HydrophobicContact CD2-CD2 4.25Å; L725-W747 VanDerWaalsContact CD2-CE2 3.46Å; L725-W747 HydrophobicContact CD2-CH2 4.38Å; L725-W747 HydrophobicContact CD2-CZ2 3.53Å
726	N	94.9	Very high	88.2	Confident	66 Å²	66	71.3 Å²	71.3	35%	0.353	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	154	178.8	-161	6.8	0	0	0	112.1	V712 V728 L739 L740	V712-N726 HydrophobicContact CB-CB 4.48Å; V712-N726 PolarHBondContact N-O 2.95Å; V712-N726 PolarHBondContact O-N 3.31Å; N726-V728 WeakPolarHBondContact ND2-CG2 3.3Å; N726-L739 PolarHBondContact ND2-O 2.93Å; N726-L740 HydrophobicContact CB-CD2 3.77Å
727	T	94.9	Very high	88.8	Confident	44 Å²	44	68.3 Å²	68.3	27%	0.27	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.5	168.7	-75.6	0	0	0	0	109.6	R709 I710 L711 E724	R709-T727 HydrophobicContact CG-CG2 4.34Å; I710-T727 CarbonylContact O-C 3.41Å; I710-T727 WeakPolarHBondContact O-CA 3.31Å; L711-T727 WeakPolarHBondContact CD1-OG1 3.35Å; E724-T727 PolarHBondContact OE1-OG1 2.84Å
728	V	95.7	Very high	89.5	Confident	21 Å²	21	65.5 Å²	65.5	13%	0.127	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.9	-173.1	-176.3	0	0	0	0	111.2	R709 I710 N726 V737 L739	R709-V728 WeakPolarHBondContact CA-O 3.35Å; I710-V728 PolarHBondContact N-O 3.24Å; I710-V728 PolarHBondContact O-N 2.95Å; N726-V728 WeakPolarHBondContact ND2-CG2 3.3Å; V728-V737 HydrophobicContact CG1-CG1 3.68Å; V728-L739 HydrophobicContact CB-CD2 4.24Å; V728-L739 HydrophobicContact CG2-CD2 4.2Å
729	N	94.8	Very high	90.4	Very high	122 Å²	122	61.5 Å²	61.5	65%	0.652	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.3	170.1	-66.5	-43.5	0	0	0	109.6
730	V	93.3	Very high	91.1	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.055	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-98.5	124.5	-176.3	-179.4	0	0	0	0	109.6	V698 M706 P707 A708 I710 A734 V737 Q758	V698-V730 HydrophobicContact CG2-CG1 4.4Å; M706-V730 HydrophobicContact CE-CG1 4.02Å; P707-V730 HydrophobicContact CB-CG2 4.48Å; P707-V730 VanDerWaalsContact O-CB 3.27Å; P707-V730 WeakPolarHBondContact O-CB 3.46Å; P707-V730 VanDerWaalsContact O-CG1 3.29Å; P707-V730 WeakPolarHBondContact O-CG1 3.46Å; A708-V730 PolarHBondContact O-N 3.03Å; I710-V730 HydrophobicContact CD1-CG2 3.65Å; I710-V730 HydrophobicContact CG1-CG2 4.09Å; V730-A734 HydrophobicContact CG1-CB 4.19Å; V730-V737 HydrophobicContact CB-CG2 4.43Å; V730-V737 HydrophobicContact CG1-CG2 3.71Å; V730-V737 HydrophobicContact CG2-CG1 4.15Å; V730-V737 HydrophobicContact CG2-CG2 4.13Å; V730-Q758 PolarHBondContact O-NE2 3.09Å
731	A	91	Very high	91.6	Very high	57 Å²	57	58.3 Å²	58.3	47%	0.471	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-72.2	145.1	173.1	0	0	0	0	0	111	M706 S733 A734	M706-A731 WeakPolarHBondContact CE-O 3.43Å; A731-S733 PolarHBondContact O-N 3.16Å; A731-S733 VanDerWaalsContact O-N 3.16Å; A731-A734 HydrophobicContact CB-CB 4.4Å; A731-A734 VanDerWaalsContact O-CB 3.26Å; A731-A734 WeakPolarHBondContact O-CB 3.37Å; A731-A734 PolarHBondContact O-N 3.47Å
732	A	87.3	Confident	91.3	Very high	61 Å²	61	62.9 Å²	62.9	50%	0.504	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.5	-178.6	0	0	0	0	0	114.1	S700	S700-A732 WeakPolarHBondContact CB-O 3.41Å
733	S	89.2	Confident	91.1	Very high	104 Å²	104	59 Å²	59	73%	0.727	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	1.6	175.1	55.3	0	0	0	0	113.6	A731	A731-S733 PolarHBondContact O-N 3.16Å; A731-S733 VanDerWaalsContact O-N 3.16Å
734	A	87.5	Confident	90	Very high	20 Å²	20	62.6 Å²	62.6	17%	0.165	36%	0.363	C	S	.	.			trans	-70.4	138.8	-177.8	0	0	0	0	0	111.1	V698 M706 V730 A731 V737	V698-A734 HydrophobicContact CG2-CB 4.4Å; V698-A734 WeakPolarHBondContact CG2-O 3.04Å; M706-A734 HydrophobicContact CE-CB 4.22Å; M706-A734 WeakPolarHBondContact CE-O 3.06Å; V730-A734 HydrophobicContact CG1-CB 4.19Å; A731-A734 HydrophobicContact CB-CB 4.4Å; A731-A734 VanDerWaalsContact O-CB 3.26Å; A731-A734 WeakPolarHBondContact O-CB 3.37Å; A731-A734 PolarHBondContact O-N 3.47Å; A734-V737 HydrophobicContact CB-CG2 3.91Å
735	S	89.6	Confident	89.2	Confident	88 Å²	88	62.5 Å²	62.5	62%	0.615	36%	0.358	S	S	*	.	S	Bend	trans	-107.3	-27.4	170.8	55	0	0	0	0	112.7	V698	V698-S735 PolarHBondContact N-O 2.93Å; V698-S735 CarbonylContact O-C 3.56Å; V698-S735 VanDerWaalsContact O-CA 3.24Å; V698-S735 WeakPolarHBondContact O-CA 3.45Å
736	R	93.5	Very high	88.6	Confident	96 Å²	96	63.2 Å²	63.2	36%	0.362	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.4	177.6	-179.2	174.9	-175.3	-85.2	2.1	108.8	A695 I696 L697 E770	A695-R736 HydrophobicContact CB-CG 4.33Å; I696-R736 WeakPolarHBondContact O-CA 3.38Å; L697-R736 HydrophobicContact CD2-CB 3.98Å; L697-R736 HydrophobicContact CD2-CG 3.89Å; R736-E770 IonicContact CZ-OE2 2.66Å; R736-E770 VanDerWaalsContact CZ-OE2 3.29Å; R736-E770 IonicContact NE-OE2 3.34Å; R736-E770 PolarHBondContact NE-OE2 2.81Å; R736-E770 IonicContact NH2-OE2 3.73Å; R736-E770 PolarHBondContact NH2-OE2 3.41Å
737	V	95	Very high	88.2	Confident	12 Å²	12	60.9 Å²	60.9	7%	0.073	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.3	-178.6	-177.9	0	0	0	0	108.9	A695 I696 V698 V728 V730 A734 L739	A695-V737 CarbonylContact C-O 3.51Å; A695-V737 WeakPolarHBondContact CA-O 3.32Å; A695-V737 WeakPolarHBondContact CB-O 3.37Å; I696-V737 HydrophobicContact CG1-CB 4.06Å; I696-V737 PolarHBondContact N-O 3.16Å; I696-V737 PolarHBondContact O-N 2.99Å; V698-V737 HydrophobicContact CG2-CG2 3.87Å; V728-V737 HydrophobicContact CG1-CG1 3.68Å; V730-V737 HydrophobicContact CB-CG2 4.43Å; V730-V737 HydrophobicContact CG1-CG2 3.71Å; V730-V737 HydrophobicContact CG2-CG1 4.15Å; V730-V737 HydrophobicContact CG2-CG2 4.13Å; A734-V737 HydrophobicContact CB-CG2 3.91Å; V737-L739 HydrophobicContact CG1-CD2 4.13Å
738	V	94.7	Very high	87.7	Confident	43 Å²	43	60.1 Å²	60.1	26%	0.261	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.7	173.4	-171.4	0	0	0	0	109.8	Q693 A695 E741	Q693-V738 HydrophobicContact CG-CG1 3.68Å; A695-V738 HydrophobicContact CB-CG2 4.31Å; V738-E741 HydrophobicContact CG1-CG 3.36Å; V738-E741 WeakPolarHBondContact CG1-OE1 3.32Å
739	L	95.3	Very high	87.6	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-43.2	-176.9	-63.7	-170.9	0	0	0	112.8	L694 I696 I710 V712 N726 V728 V737 I752	L694-L739 HydrophobicContact CD2-CB 4.34Å; L694-L739 HydrophobicContact CG-CB 4.24Å; L694-L739 WeakPolarHBondContact O-CA 3.21Å; L694-L739 WeakPolarHBondContact O-CB 3.3Å; L694-L739 PolarHBondContact O-N 3.43Å; I696-L739 HydrophobicContact CB-CD1 4.48Å; I696-L739 HydrophobicContact CG1-CD1 4.25Å; I696-L739 HydrophobicContact CG1-CD2 4.31Å; I696-L739 HydrophobicContact CG1-CG 4.27Å; I696-L739 HydrophobicContact CG2-CD1 3.55Å; I696-L739 HydrophobicContact CG2-CG 4.28Å; I710-L739 HydrophobicContact CB-CD2 4.31Å; I710-L739 HydrophobicContact CD1-CD2 4.08Å; I710-L739 HydrophobicContact CG2-CD1 4.33Å; I710-L739 HydrophobicContact CG2-CD2 3.95Å; V712-L739 HydrophobicContact CG2-CB 3.94Å; V712-L739 HydrophobicContact CG2-CD1 4.24Å; V712-L739 HydrophobicContact CG2-CG 4.47Å; N726-L739 PolarHBondContact ND2-O 2.93Å; V728-L739 HydrophobicContact CB-CD2 4.24Å; V728-L739 HydrophobicContact CG2-CD2 4.2Å; V737-L739 HydrophobicContact CG1-CD2 4.13Å; L739-I752 HydrophobicContact CD1-CB 4.46Å; L739-I752 HydrophobicContact CD1-CD1 3.71Å; L739-I752 HydrophobicContact CD1-CG1 3.88Å; L739-I752 HydrophobicContact CD1-CG2 3.74Å
740	L	92.6	Very high	87.6	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.4	176.5	-57.8	173.2	0	0	0	109.4	Q693 L694 V712 L725 N726 M743 I750	Q693-L740 CarbonylContact C-O 3.52Å; Q693-L740 VanDerWaalsContact CA-O 3.31Å; Q693-L740 WeakPolarHBondContact CA-O 3.38Å; L694-L740 HydrophobicContact CB-CB 4.04Å; L694-L740 HydrophobicContact CB-CD1 4.46Å; L694-L740 HydrophobicContact CB-CG 4.42Å; L694-L740 HydrophobicContact CD2-CD1 3.89Å; L694-L740 HydrophobicContact CD2-CG 4.21Å; L694-L740 PolarHBondContact N-O 3.16Å; L694-L740 PolarHBondContact O-N 3.48Å; L694-L740 VanDerWaalsContact O-N 3.15Å; V712-L740 HydrophobicContact CB-CD2 4.28Å; V712-L740 HydrophobicContact CG1-CD1 3.83Å; V712-L740 HydrophobicContact CG1-CD2 3.99Å; V712-L740 HydrophobicContact CG1-CG 3.97Å; L725-L740 HydrophobicContact CB-CD2 3.75Å; L725-L740 HydrophobicContact CD1-CD1 4Å; N726-L740 HydrophobicContact CB-CD2 3.77Å; L740-M743 HydrophobicContact CB-CG 4.21Å; L740-M743 HydrophobicContact CB-SD 4.08Å; L740-M743 HydrophobicContact CD1-CG 4.41Å; L740-M743 HydrophobicContact CD1-SD 4.29Å; L740-M743 HydrophobicContact CD2-SD 4.03Å; L740-M743 HydrophobicContact CG-SD 4.37Å; L740-I750 HydrophobicContact CD1-CD1 4.13Å; L740-I750 HydrophobicContact CD1-CG2 4.29Å
741	E	88.8	Confident	87.7	Confident	109 Å²	109	53.9 Å²	53.9	51%	0.509	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.3	173.6	-64.7	-165.1	148.1	0	0	110.7	R692 Q693 V738 M743	R692-E741 CarbonylContact O-C 3.6Å; R692-E741 WeakPolarHBondContact O-CA 3.33Å; Q693-E741 HydrophobicContact CG-CG 4.25Å; Q693-E741 PolarHBondContact NE2-OE1 3.31Å; V738-E741 HydrophobicContact CG1-CG 3.36Å; V738-E741 WeakPolarHBondContact CG1-OE1 3.32Å; E741-M743 VanDerWaalsContact C-N 3.35Å; E741-M743 PolarHBondContact O-N 3.43Å
742	N	79.3	Confident	88	Confident	116 Å²	116	51.2 Å²	51.2	62%	0.62	29%	0.285	S	S	*	.	S	Bend	trans	45.7	53.6	173.3	-59.3	-41.8	0	0	0	113.4	R692	R692-N742 PolarHBondContact O-N 2.77Å
743	M	80.7	Confident	88.4	Confident	42 Å²	42	52 Å²	52	21%	0.207	28%	0.275	C	S	.	.			trans	-61.1	147	175.2	-61.7	-61.6	-69.5	0	0	109.7	V690 I691 L725 L740 E741	V690-M743 HydrophobicContact CG1-CB 4.13Å; V690-M743 WeakPolarHBondContact CG1-O 3.26Å; I691-M743 HydrophobicContact CB-CB 4.47Å; I691-M743 HydrophobicContact CB-CG 4.13Å; I691-M743 WeakPolarHBondContact O-CB 3.21Å; I691-M743 PolarHBondContact O-N 2.95Å; L725-M743 HydrophobicContact CB-CE 4.46Å; L725-M743 HydrophobicContact CD1-CE 4.12Å; L725-M743 HydrophobicContact CD2-CE 4.08Å; L725-M743 HydrophobicContact CG-CE 4.45Å; L740-M743 HydrophobicContact CB-CG 4.21Å; L740-M743 HydrophobicContact CB-SD 4.08Å; L740-M743 HydrophobicContact CD1-CG 4.41Å; L740-M743 HydrophobicContact CD1-SD 4.29Å; L740-M743 HydrophobicContact CD2-SD 4.03Å; L740-M743 HydrophobicContact CG-SD 4.37Å; E741-M743 VanDerWaalsContact C-N 3.35Å; E741-M743 PolarHBondContact O-N 3.43Å
744	T	66.1	Low	88.7	Confident	141 Å²	141	47.1 Å²	47.1	87%	0.865	24%	0.24	S	C	*	.	S	Bend	trans	-105.6	-10.4	179.1	53.9	0	0	0	0	112.8
745	R	76.9	Confident	89	Confident	117 Å²	117	50.4 Å²	50.4	44%	0.442	25%	0.251	S	S	.	.	S	Bend	trans	-125.3	140.6	-177.7	174	174.4	173.6	-173	-2.3	110.2	D716 W747	D716-R745 VanDerWaalsContact CG-NH2 3.29Å; D716-R745 IonicContact OD1-NH2 3.11Å; D716-R745 PolarHBondContact OD1-NH2 3.3Å; D716-R745 IonicContact OD2-NH2 3.3Å; D716-R745 PolarHBondContact OD2-NH2 2.87Å; R745-W747 HydrophobicContact CG-CZ2 4.42Å; R745-W747 VanDerWaalsContact CZ-CH2 3.47Å; R745-W747 VanDerWaalsContact NH1-CH2 3.31Å
746	F	79.1	Confident	89.2	Confident	53 Å²	53	53.9 Å²	53.9	23%	0.232	25%	0.251	C	S	.	.			trans	-72.5	135.6	168.1	167.1	-109.6	0	0	0	111	M685 H686 K687 V689 V690	M685-F746 HydrophobicContact CB-CE2 4.01Å; H686-F746 WeakPolarHBondContact O-CE2 3.21Å; K687-F746 HydrophobicContact CG-CE1 4.38Å; K687-F746 HydrophobicContact CG-CZ 4.46Å; V689-F746 WeakPolarHBondContact O-CD2 3.37Å; V690-F746 HydrophobicContact CG2-CB 4.35Å
747	W	86.2	Confident	89.2	Confident	18 Å²	18	49.5 Å²	49.5	7%	0.068	24%	0.235	C	C	.	.			trans	-124.4	126.3	172.7	-65.7	101.4	0	0	0	108.5	M685 T723 L725 R745 I749 I750	M685-W747 WeakPolarHBondContact CB-O 3.35Å; M685-W747 WeakPolarHBondContact CG-O 3.42Å; T723-W747 HydrophobicContact CG2-CH2 3.67Å; T723-W747 HydrophobicContact CG2-CZ2 4.1Å; L725-W747 HydrophobicContact CD1-CG 4.28Å; L725-W747 HydrophobicContact CD2-CD2 4.25Å; L725-W747 VanDerWaalsContact CD2-CE2 3.46Å; L725-W747 HydrophobicContact CD2-CH2 4.38Å; L725-W747 HydrophobicContact CD2-CZ2 3.53Å; R745-W747 HydrophobicContact CG-CZ2 4.42Å; R745-W747 VanDerWaalsContact CZ-CH2 3.47Å; R745-W747 VanDerWaalsContact NH1-CH2 3.31Å; W747-I749 VanDerWaalsContact C-N 3.34Å; W747-I750 HydrophobicContact CB-CD1 4.42Å; W747-I750 HydrophobicContact CB-CG1 3.99Å
748	S	85.2	Confident	89.1	Confident	28 Å²	28	51 Å²	51	20%	0.196	24%	0.241	C	C	.	.	S	Bend	trans	-70.6	-33.7	-179.2	64.2	0	0	0	0	111.8	M685 G715 D716	M685-S748 PolarHBondContact N-O 3.44Å; G715-S748 PolarHBondContact O-N 2.94Å; G715-S748 PolarHBondContact O-OG 3.15Å; D716-S748 WeakPolarHBondContact CA-OG 3.12Å; D716-S748 PolarHBondContact O-OG 2.9Å
749	I	93.3	Very high	88.9	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.3	178	-53.2	172.7	0	0	0	109.5	N682 I683 Y684 G715 P718 I721 W747	N682-I749 HydrophobicContact CB-CG2 4.38Å; I683-I749 WeakPolarHBondContact O-CA 3.44Å; Y684-I749 HydrophobicContact CD1-CD1 4.1Å; Y684-I749 HydrophobicContact CD1-CG1 3.83Å; Y684-I749 HydrophobicContact CE1-CD1 3.56Å; Y684-I749 HydrophobicContact CE1-CG1 3.8Å; G715-I749 PolarHBondContact N-O 2.94Å; G715-I749 PolarHBondContact O-N 3.28Å; P718-I749 VanDerWaalsContact CA-CD1 3.44Å; P718-I749 HydrophobicContact CB-CD1 3.92Å; P718-I749 HydrophobicContact CG-CD1 3.64Å; P718-I749 VanDerWaalsContact N-CD1 3.29Å; I721-I749 HydrophobicContact CD1-CB 4.42Å; I721-I749 HydrophobicContact CD1-CG2 3.75Å; I721-I749 HydrophobicContact CG1-CG2 4.47Å; W747-I749 VanDerWaalsContact C-N 3.34Å
750	I	95.3	Very high	88.4	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.4	172.1	-60.4	-180	0	0	0	108.7	N682 I683 M685 I691 L694 V712 L713 L740 W747	N682-I750 WeakPolarHBondContact CA-O 3.49Å; I683-I750 PolarHBondContact N-O 3.18Å; I683-I750 PolarHBondContact O-N 3.08Å; M685-I750 HydrophobicContact CG-CD1 4.27Å; M685-I750 HydrophobicContact CG-CG1 4.4Å; I691-I750 HydrophobicContact CD1-CD1 3.08Å; I691-I750 HydrophobicContact CG1-CD1 4.2Å; L694-I750 HydrophobicContact CD2-CG2 3.93Å; V712-I750 HydrophobicContact CG1-CG2 3.67Å; L713-I750 CarbonylContact O-C 3.55Å; L713-I750 WeakPolarHBondContact O-CA 3.42Å; L740-I750 HydrophobicContact CD1-CD1 4.13Å; L740-I750 HydrophobicContact CD1-CG2 4.29Å; W747-I750 HydrophobicContact CB-CD1 4.42Å; W747-I750 HydrophobicContact CB-CG1 3.99Å
751	Q	95.7	Very high	88.2	Confident	15 Å²	15	59.6 Å²	59.6	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.1	178	176.3	171.1	100.2	0	0	110.1	F680 I681 N682 V712 L713 I721	F680-Q751 HydrophobicContact CB-CG 4.1Å; I681-Q751 CarbonylContact O-C 3.59Å; I681-Q751 WeakPolarHBondContact O-CA 3.39Å; N682-Q751 WeakPolarHBondContact OD1-CB 3.3Å; N682-Q751 VanDerWaalsContact OD1-CG 3.24Å; N682-Q751 WeakPolarHBondContact OD1-CG 3.19Å; N682-Q751 PolarHBondContact OD1-NE2 2.98Å; V712-Q751 CarbonylContact C-O 3.59Å; V712-Q751 WeakPolarHBondContact CA-O 3.48Å; L713-Q751 HydrophobicContact CB-CB 4.27Å; L713-Q751 PolarHBondContact N-O 2.78Å; L713-Q751 PolarHBondContact O-N 2.98Å; I721-Q751 HydrophobicContact CG2-CB 3.8Å
752	I	96.8	Very high	88.4	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	110.4	170.5	-56.2	169.6	0	0	0	107.3	F680 I681 I683 L694 I696 I710 L739	F680-I752 CarbonylContact C-O 3.54Å; F680-I752 WeakPolarHBondContact CA-O 3.24Å; I681-I752 HydrophobicContact CB-CB 4.34Å; I681-I752 PolarHBondContact N-O 3.28Å; I681-I752 PolarHBondContact O-N 2.83Å; I683-I752 HydrophobicContact CD1-CD1 3.83Å; L694-I752 HydrophobicContact CD2-CD1 4.23Å; L694-I752 HydrophobicContact CD2-CG1 4.38Å; I696-I752 HydrophobicContact CG2-CD1 4.02Å; I710-I752 HydrophobicContact CG2-CG2 3.56Å; L739-I752 HydrophobicContact CD1-CB 4.46Å; L739-I752 HydrophobicContact CD1-CD1 3.71Å; L739-I752 HydrophobicContact CD1-CG1 3.88Å; L739-I752 HydrophobicContact CD1-CG2 3.74Å
753	R	95.3	Very high	89	Confident	77 Å²	77	55.6 Å²	55.6	29%	0.291	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.1	-179.7	-176.1	177.7	-91.2	160.8	-10.9	110.8	H679 L711 K755	H679-R753 WeakPolarHBondContact O-CA 3.43Å; L711-R753 HydrophobicContact CB-CB 4.46Å; L711-R753 PolarHBondContact N-O 3.46Å; L711-R753 PolarHBondContact O-N 3.32Å; R753-K755 HydrophobicContact CG-CD 4.43Å; R753-K755 PolarHBondContact O-N 2.91Å
754	I	96.1	Very high	89.7	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.1	179.7	-60.1	157.4	0	0	0	107.8	G677 H679 P707 I710 T764 V766	G677-I754 WeakPolarHBondContact CA-O 3.3Å; H679-I754 HydrophobicContact CB-CB 4.23Å; H679-I754 HydrophobicContact CB-CD1 4.34Å; H679-I754 PolarHBondContact O-N 2.9Å; P707-I754 HydrophobicContact CB-CG2 4.09Å; P707-I754 HydrophobicContact CG-CD1 4.36Å; P707-I754 HydrophobicContact CG-CG2 4.46Å; I710-I754 HydrophobicContact CG1-CG1 4.45Å; I754-T764 HydrophobicContact CB-CG2 4.49Å; I754-T764 HydrophobicContact CD1-CG2 3.48Å; I754-T764 VanDerWaalsContact CD1-CG2 3.48Å; I754-T764 HydrophobicContact CG2-CG2 4.38Å; I754-V766 HydrophobicContact CD1-CG2 3.85Å
755	K	94.4	Very high	91.1	Very high	90 Å²	90	49.3 Å²	49.3	39%	0.391	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-30.7	-175.1	-73.3	-67.5	-171.1	176.3	0	112.8	R709 L711 R753	R709-K755 PolarHBondContact O-N 2.77Å; L711-K755 HydrophobicContact CB-CG 3.97Å; L711-K755 VanDerWaalsContact CD2-CE 3.4Å; R753-K755 HydrophobicContact CG-CD 4.43Å; R753-K755 PolarHBondContact O-N 2.91Å
756	R	93.3	Very high	92	Very high	160 Å²	160	43.8 Å²	43.8	60%	0.604	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-154.7	143.3	-177.5	-160.5	-177.2	-133.8	131.1	5.2	110.4	A708 R709	A708-R756 WeakPolarHBondContact CA-O 3.32Å; A708-R756 PolarHBondContact N-O 2.8Å; R709-R756 HydrophobicContact CB-CB 4.16Å; R709-R756 PolarHBondContact N-O 3Å; R709-R756 PolarHBondContact O-N 2.82Å
757	C	93.8	Very high	92.7	Very high	4 Å²	4	42 Å²	42	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	163.6	169.2	-57.2	0	0	0	0	111.4	S704 M706 D763 T764	S704-C757 VanDerWaalsContact O-CB 3.25Å; S704-C757 WeakPolarHBondContact O-CB 3.49Å; M706-C757 CarbonylContact O-C 3.6Å; M706-C757 VanDerWaalsContact O-CA 3.23Å; M706-C757 WeakPolarHBondContact O-CA 3.4Å; M706-C757 WeakPolarHBondContact O-CB 3.43Å; C757-D763 PolarHBondContact SG-O 2.87Å; C757-D763 VanDerWaalsContact SG-O 3.33Å; C757-T764 VanDerWaalsContact SG-CB 3.54Å
758	Q	92.6	Very high	93	Very high	43 Å²	43	41.4 Å²	41.4	20%	0.201	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.7	154.6	176.9	-64.4	-65.2	-6.1	0	0	110.5	S703 S704 M706 A708 V730 G760 G761	S703-Q758 WeakPolarHBondContact O-CB 3.49Å; S704-Q758 WeakPolarHBondContact CA-O 3.34Å; M706-Q758 HydrophobicContact CB-CB 4.44Å; M706-Q758 HydrophobicContact CB-CG 3.99Å; M706-Q758 HydrophobicContact CG-CG 4.31Å; M706-Q758 PolarHBondContact O-N 2.89Å; M706-Q758 HydrophobicContact SD-CG 4.28Å; A708-Q758 HydrophobicContact CB-CG 4.08Å; V730-Q758 PolarHBondContact O-NE2 3.09Å; Q758-G760 PolarHBondContact O-N 2.75Å; Q758-G761 PolarHBondContact O-N 3.33Å
759	Q	89.8	Confident	93.4	Very high	161 Å²	161	40.9 Å²	40.9	75%	0.752	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	54.2	18	177.3	-57.2	173.2	-0.8	0	0	114.9	G761	Q759-G761 VanDerWaalsContact C-N 3.35Å
760	G	86	Confident	93.3	Very high	59 Å²	59	44.2 Å²	44.2	61%	0.608	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	74.3	22.4	-176.6	0	0	0	0	0	114.3	Q758	Q758-G760 PolarHBondContact O-N 2.75Å
761	G	88.8	Confident	93	Very high	11 Å²	11	44.6 Å²	44.6	11%	0.113	22%	0.219	C	C	.	.			trans	-57.7	147.5	175.8	0	0	0	0	0	113.2	S704 Q758 Q759	S704-G761 WeakPolarHBondContact O-CA 3.43Å; Q758-G761 PolarHBondContact O-N 3.33Å; Q759-G761 VanDerWaalsContact C-N 3.35Å
762	I	91.4	Very high	92.1	Very high	100 Å²	100	45.5 Å²	45.5	51%	0.513	22%	0.224	S	C	.	.	S	Bend	trans	-92.3	-51.8	-178.4	-65	173.7	0	0	0	109.5	G674 H679	G674-I762 WeakPolarHBondContact O-CG2 3.49Å; H679-I762 PolarHBondContact CE1-O 3.47Å; H679-I762 VanDerWaalsContact CE1-O 3.32Å; H679-I762 PolarHBondContact NE2-O 3.32Å
763	D	93.4	Very high	90.8	Very high	41 Å²	41	45.5 Å²	45.5	22%	0.219	22%	0.224	C	C	.	.	S	Bend	trans	-85.1	164.9	178.3	-57.6	-40.2	0	0	0	111.3	S672 N673 G674 Y705 C757	S672-D763 WeakPolarHBondContact O-CA 3.45Å; S672-D763 WeakPolarHBondContact O-CB 3.36Å; N673-D763 VanDerWaalsContact CA-OD1 3.31Å; N673-D763 WeakPolarHBondContact CA-OD1 3.17Å; G674-D763 PolarHBondContact N-OD1 2.82Å; Y705-D763 HydrophobicContact CD1-CB 3.72Å; Y705-D763 HydrophobicContact CE1-CB 3.53Å; C757-D763 PolarHBondContact SG-O 2.87Å; C757-D763 VanDerWaalsContact SG-O 3.33Å
764	T	94.6	Very high	89.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.1	-179.3	-167	0	0	0	0	114	E671 S672 H679 Y705 P707 I754 C757	E671-T764 CarbonylContact C-O 3.48Å; E671-T764 VanDerWaalsContact CA-O 3.31Å; E671-T764 WeakPolarHBondContact CA-O 3.33Å; S672-T764 PolarHBondContact N-O 2.93Å; S672-T764 PolarHBondContact O-N 2.74Å; S672-T764 VanDerWaalsContact O-N 3.15Å; H679-T764 HydrophobicContact CB-CG2 3.68Å; Y705-T764 CarbonylContact O-C 3.55Å; Y705-T764 WeakPolarHBondContact O-CA 3.17Å; Y705-T764 PolarHBondContact O-OG1 3.02Å; P707-T764 WeakPolarHBondContact CG-OG1 3.32Å; I754-T764 HydrophobicContact CB-CG2 4.49Å; I754-T764 HydrophobicContact CD1-CG2 3.48Å; I754-T764 VanDerWaalsContact CD1-CG2 3.48Å; I754-T764 HydrophobicContact CG2-CG2 4.38Å; C757-T764 VanDerWaalsContact SG-CB 3.54Å
765	R	95.2	Very high	87.1	Confident	51 Å²	51	50.1 Å²	50.1	19%	0.192	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.2	174.8	-70.8	175.3	-174.8	164.3	5.2	111.3	Y669 W670 E671 D702 Y705 P707	Y669-R765 HydrophobicContact CD2-CB 4.27Å; Y669-R765 HydrophobicContact CD2-CG 3.74Å; Y669-R765 HydrophobicContact CE2-CG 4.03Å; Y669-R765 HydrophobicContact CG-CG 4.43Å; W670-R765 WeakPolarHBondContact O-CA 3.2Å; E671-R765 HydrophobicContact CB-CG 4.06Å; E671-R765 HydrophobicContact CG-CG 3.98Å; E671-R765 IonicContact OE2-CZ 3.18Å; E671-R765 VanDerWaalsContact OE2-CZ 3.27Å; E671-R765 IonicContact OE2-NE 3.92Å; E671-R765 PolarHBondContact OE2-NE 2.88Å; E671-R765 IonicContact OE2-NH2 2.81Å; E671-R765 PolarHBondContact OE2-NH2 2.97Å; D702-R765 WeakPolarHBondContact OD1-CD 3.43Å; D702-R765 IonicContact OD1-NH1 3.56Å; D702-R765 PolarHBondContact OD1-NH1 2.88Å; Y705-R765 HydrophobicContact CD1-CG 4.21Å; Y705-R765 HydrophobicContact CG-CG 4.41Å; Y705-R765 PolarHBondContact O-N 3.15Å; P707-R765 WeakPolarHBondContact CD-O 3.42Å
766	V	95.8	Very high	85.2	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.6	174.6	-178	0	0	0	0	107.9	L661 Y669 W670 I681 I696 P707 I754	L661-V766 HydrophobicContact CD2-CB 3.91Å; L661-V766 HydrophobicContact CD2-CG1 3.73Å; Y669-V766 WeakPolarHBondContact CA-O 3.11Å; W670-V766 HydrophobicContact CE3-CB 4.25Å; W670-V766 HydrophobicContact CE3-CG2 4.31Å; W670-V766 HydrophobicContact CZ3-CG2 4.43Å; W670-V766 PolarHBondContact N-O 2.85Å; W670-V766 PolarHBondContact O-N 3.05Å; I681-V766 HydrophobicContact CD1-CB 4.48Å; I681-V766 HydrophobicContact CD1-CG1 4.34Å; I681-V766 HydrophobicContact CD1-CG2 4.37Å; I696-V766 HydrophobicContact CB-CG1 4.36Å; P707-V766 HydrophobicContact CG-CG2 4.31Å; I754-V766 HydrophobicContact CD1-CG2 3.85Å
767	H	94.3	Very high	83.6	Confident	16 Å²	16	44.7 Å²	44.7	7%	0.074	24%	0.243	C	C	.	.			trans	-85.5	-16.6	-174.4	-69.6	-101.7	0	0	0	113	P666 T668 L697 A699 D702	P666-H767 PolarHBondContact O-ND1 3.49Å; T668-H767 WeakPolarHBondContact O-CA 3.47Å; T668-H767 PolarHBondContact O-ND1 3.34Å; L697-H767 HydrophobicContact CB-CB 4.07Å; L697-H767 PolarHBondContact O-N 3.37Å; A699-H767 VanDerWaalsContact CB-NE2 3.34Å; A699-H767 WeakPolarHBondContact CB-NE2 3.37Å; D702-H767 IonicContact OD1-NE2 2.9Å; D702-H767 IonicContact OD2-CD2 3.78Å; D702-H767 PolarHBondContact OD2-CD2 3.05Å; D702-H767 IonicContact OD2-CE1 3.63Å; D702-H767 IonicContact OD2-NE2 2.97Å; D702-H767 PolarHBondContact OD2-NE2 3.43Å
768	G	93.2	Very high	82.3	Confident	4 Å²	4	49.2 Å²	49.2	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	172.7	176.8	0	0	0	0	0	112.5	L661 I696 L697	L661-G768 VanDerWaalsContact O-CA 3.28Å; L661-G768 WeakPolarHBondContact O-CA 3.3Å; I696-G768 WeakPolarHBondContact CA-O 3.31Å; L697-G768 PolarHBondContact N-O 3.34Å
769	F	93.1	Very high	81.4	Confident	18 Å²	18	47.2 Å²	47.2	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152	166	70.9	-90.9	0	0	0	110.8	W646 V649 L661 T662 I683 A695 I696 V771	W646-F769 HydrophobicContact CD2-CE2 4.42Å; W646-F769 HydrophobicContact CD2-CZ 4.24Å; W646-F769 AromaticContact CE2-CE2 3.95Å; W646-F769 AromaticContact CE2-CZ 3.79Å; W646-F769 HydrophobicContact CG-CE2 4.47Å; W646-F769 HydrophobicContact CZ2-CE2 4.48Å; W646-F769 AromaticContact CZ2-CZ 3.94Å; W646-F769 HydrophobicContact CZ2-CZ 3.94Å; W646-F769 AromaticContact NE1-CE2 3.67Å; W646-F769 AromaticContact NE1-CZ 4Å; V649-F769 HydrophobicContact CG1-CE1 4.25Å; V649-F769 HydrophobicContact CG2-CE1 3.63Å; V649-F769 HydrophobicContact CG2-CZ 3.38Å; L661-F769 HydrophobicContact CB-CD1 3.89Å; L661-F769 HydrophobicContact CB-CE1 3.92Å; L661-F769 PolarHBondContact O-N 3.13Å; T662-F769 HydrophobicContact CG2-CE1 3.54Å; T662-F769 HydrophobicContact CG2-CZ 3.65Å; I683-F769 HydrophobicContact CD1-CD2 3.78Å; I683-F769 HydrophobicContact CD1-CE2 3.92Å; I683-F769 HydrophobicContact CD1-CG 4.16Å; I683-F769 HydrophobicContact CD1-CZ 4.42Å; I683-F769 HydrophobicContact CG1-CE2 4.42Å; A695-F769 CarbonylContact O-C 3.5Å; A695-F769 VanDerWaalsContact O-CA 3.29Å; A695-F769 WeakPolarHBondContact O-CA 3.44Å; I696-F769 HydrophobicContact CG2-CB 4.05Å; F769-V771 HydrophobicContact CD2-CG2 3.55Å; F769-V771 HydrophobicContact CE2-CG2 3.57Å
770	E	90.3	Very high	80.4	Confident	72 Å²	72	40.3 Å²	40.3	34%	0.336	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.6	178.2	-65.7	175.3	176	0	0	107.9	L694 A695 R736	L694-E770 CarbonylContact C-O 3.5Å; L694-E770 WeakPolarHBondContact CA-O 3.24Å; A695-E770 HydrophobicContact CB-CB 4.49Å; A695-E770 PolarHBondContact N-O 3.45Å; A695-E770 PolarHBondContact O-N 3.07Å; R736-E770 IonicContact CZ-OE2 2.66Å; R736-E770 VanDerWaalsContact CZ-OE2 3.29Å; R736-E770 IonicContact NE-OE2 3.34Å; R736-E770 PolarHBondContact NE-OE2 2.81Å; R736-E770 IonicContact NH2-OE2 3.73Å; R736-E770 PolarHBondContact NH2-OE2 3.41Å
771	V	88.5	Confident	79.8	Confident	11 Å²	11	40.1 Å²	40.1	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.4	171.4	-167.3	0	0	0	0	107.6	C645 I683 M685 I691 L694 F769	C645-V771 HydrophobicContact CB-CB 4.49Å; C645-V771 HydrophobicContact CB-CG1 4.06Å; I683-V771 HydrophobicContact CD1-CG2 4.44Å; M685-V771 HydrophobicContact CE-CG1 3.97Å; M685-V771 HydrophobicContact SD-CG1 4.39Å; I691-V771 HydrophobicContact CD1-CG1 3.99Å; I691-V771 HydrophobicContact CG1-CG1 4.2Å; L694-V771 HydrophobicContact CD1-CG2 3.72Å; F769-V771 HydrophobicContact CD2-CG2 3.55Å; F769-V771 HydrophobicContact CE2-CG2 3.57Å
772	L	78.8	Confident	79.3	Confident	34 Å²	34	39.6 Å²	39.6	18%	0.178	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111	167.6	-62.9	175.2	0	0	0	107.3	R692 Q693	R692-L772 PolarHBondContact N-O 3.38Å; Q693-L772 HydrophobicContact CB-CB 4.14Å; Q693-L772 HydrophobicContact CB-CD1 4.11Å; Q693-L772 HydrophobicContact CB-CG 4.5Å; Q693-L772 PolarHBondContact N-O 3.35Å; Q693-L772 VanDerWaalsContact N-O 3.16Å; Q693-L772 PolarHBondContact O-N 3.2Å
773	G	69.1	Low	78.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.19	C	C	.	.			trans	-72.3	-170.1	174.6	0	0	0	0	0	113.3	C645 R692	C645-G773 WeakPolarHBondContact SG-CA 3.19Å; C645-G773 PolarHBondContact SG-N 3.13Å; R692-G773 WeakPolarHBondContact CB-O 3.34Å
774	P	61	Low	78	Confident	28 Å²	28	40.9 Å²	40.9	18%	0.182	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-65.8	152.2	175.7	29.7	-30.3	0	0	0	109.1	V690	V690-P774 WeakPolarHBondContact O-CD 3.49Å
775	K	52.8	Low	77.3	Confident	148 Å²	148	43.4 Å²	43.4	64%	0.643	22%	0.217	S	C	*	.	P	Polyproline II helix	trans	-52.9	141.2	168.9	-71.6	-177.2	177.1	-179.9	0	108.3	T777	K775-T777 WeakPolarHBondContact O-CG2 3.4Å; K775-T777 PolarHBondContact O-N 2.83Å
776	P	54.1	Low	76.8	Confident	95 Å²	95	41.1 Å²	41.1	62%	0.617	21%	0.209	S	C	*	.	P	Polyproline II helix	trans	-51.3	121	178.2	18.5	-30.1	0	0	0	109.5
777	T	59.6	Low	76.2	Confident	41 Å²	41	42 Å²	42	25%	0.252	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-102.8	161.3	-177.5	72.6	0	0	0	0	110.7	Q634 K775 W779 P780	Q634-T777 WeakPolarHBondContact O-CB 3.23Å; Q634-T777 WeakPolarHBondContact O-CG2 3.4Å; Q634-T777 PolarHBondContact O-OG1 3.29Å; K775-T777 WeakPolarHBondContact O-CG2 3.4Å; K775-T777 PolarHBondContact O-N 2.83Å; T777-W779 PolarHBondContact O-N 3.28Å; T777-P780 WeakPolarHBondContact O-CD 3.48Å
778	F	67.1	Low	75.7	Confident	98 Å²	98	48.6 Å²	48.6	43%	0.43	24%	0.239	S	C	.	.	S	Bend	trans	-79.7	-0.3	177.3	-63.3	-74.2	0	0	0	112.8	L599 I603 L632 V781 F782	L599-F778 HydrophobicContact CD1-CE1 4.48Å; L599-F778 HydrophobicContact CD1-CE2 4.35Å; L599-F778 HydrophobicContact CD1-CZ 3.8Å; I603-F778 HydrophobicContact CD1-CD1 4.47Å; L632-F778 HydrophobicContact CD2-CB 3.77Å; L632-F778 HydrophobicContact CD2-CD2 4.49Å; L632-F778 HydrophobicContact CD2-CG 4.37Å; F778-V781 PolarHBondContact O-N 3.06Å; F778-F782 WeakPolarHBondContact O-CB 3.19Å; F778-F782 PolarHBondContact O-N 3.45Å
779	W	72.8	Confident	75.5	Confident	1 Å²	1	51 Å²	51	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-46.6	-175.6	174.2	-130.2	0	0	0	113.9	L632 C633 G635 T777 V781 F782 K783 A839	L632-W779 WeakPolarHBondContact O-CA 3.3Å; L632-W779 VanDerWaalsContact O-CB 3.3Å; L632-W779 WeakPolarHBondContact O-CB 3.43Å; L632-W779 PolarHBondContact O-N 3.32Å; C633-W779 HydrophobicContact CB-CE3 3.95Å; C633-W779 HydrophobicContact CB-CZ3 4.11Å; C633-W779 VanDerWaalsContact SG-CZ3 3.55Å; G635-W779 VanDerWaalsContact O-CD1 3.23Å; T777-W779 PolarHBondContact O-N 3.28Å; W779-V781 PolarHBondContact O-N 3.5Å; W779-F782 AromaticContact CE3-CD1 4Å; W779-F782 HydrophobicContact CE3-CD1 4Å; W779-F782 AromaticContact CZ3-CD1 3.84Å; W779-F782 HydrophobicContact CZ3-CD1 3.84Å; W779-F782 HydrophobicContact CZ3-CE1 4.41Å; W779-F782 PolarHBondContact O-N 2.99Å; W779-K783 HydrophobicContact CD2-CB 4.02Å; W779-K783 HydrophobicContact CE3-CB 3.97Å; W779-K783 HydrophobicContact CH2-CB 3.82Å; W779-K783 HydrophobicContact CH2-CD 4.38Å; W779-K783 HydrophobicContact CH2-CG 3.94Å; W779-K783 HydrophobicContact CZ2-CB 3.88Å; W779-K783 HydrophobicContact CZ2-CD 3.72Å; W779-K783 HydrophobicContact CZ2-CG 3.8Å; W779-K783 HydrophobicContact CZ3-CB 3.89Å; W779-K783 WeakPolarHBondContact O-CB 3.18Å; W779-K783 PolarHBondContact O-N 2.93Å; W779-A839 HydrophobicContact CH2-CB 3.29Å; W779-A839 HydrophobicContact CZ2-CB 3.55Å; W779-A839 HydrophobicContact CZ3-CB 4.05Å
780	P	69.3	Low	75.1	Confident	16 Å²	16	50.2 Å²	50.2	10%	0.104	24%	0.244	C	C	.	.	H	α-helix	trans	-56.5	-48	178.6	-25.1	34.2	0	0	0	112.6	S636 E639 T777 K783 E784	S636-P780 WeakPolarHBondContact O-CG 3.12Å; E639-P780 HydrophobicContact CG-CB 3.85Å; E639-P780 HydrophobicContact CG-CG 4.1Å; T777-P780 WeakPolarHBondContact O-CD 3.48Å; P780-K783 PolarHBondContact O-N 3.43Å; P780-E784 WeakPolarHBondContact O-CB 3.49Å; P780-E784 PolarHBondContact O-N 3.08Å
781	V	71.9	Confident	74.9	Confident	56 Å²	56	51.9 Å²	51.9	34%	0.339	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-45.4	179.3	-179.1	0	0	0	0	110.9	E639 F778 W779 Q785	E639-V781 VanDerWaalsContact OE1-CG2 3.32Å; E639-V781 WeakPolarHBondContact OE1-CG2 3.33Å; F778-V781 PolarHBondContact O-N 3.06Å; W779-V781 PolarHBondContact O-N 3.5Å; V781-Q785 VanDerWaalsContact O-CG 3.27Å; V781-Q785 WeakPolarHBondContact O-CG 3.36Å; V781-Q785 PolarHBondContact O-N 3.5Å
782	F	78.3	Confident	74.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-42.4	179.1	-177.4	-102.9	0	0	0	112.1	I603 V606 L607 I610 L629 L632 F778 W779 Q785 L786	I603-F782 HydrophobicContact CG2-CD2 4.06Å; V606-F782 HydrophobicContact CG1-CE2 3.88Å; V606-F782 HydrophobicContact CG1-CZ 3.99Å; L607-F782 HydrophobicContact CD2-CD2 4.1Å; L607-F782 HydrophobicContact CD2-CE2 3.57Å; L607-F782 HydrophobicContact CD2-CZ 4.08Å; L607-F782 HydrophobicContact CG-CD2 4.3Å; L607-F782 HydrophobicContact CG-CE2 3.84Å; I610-F782 HydrophobicContact CD1-CZ 4.05Å; L629-F782 HydrophobicContact CD2-CE1 3.67Å; L629-F782 HydrophobicContact CD2-CE2 4.37Å; L629-F782 HydrophobicContact CD2-CZ 3.42Å; L629-F782 VanDerWaalsContact CD2-CZ 3.42Å; L632-F782 HydrophobicContact CB-CG 4.45Å; L632-F782 HydrophobicContact CD1-CD2 3.96Å; L632-F782 HydrophobicContact CD1-CE2 4.08Å; L632-F782 HydrophobicContact CD1-CG 4.39Å; F778-F782 WeakPolarHBondContact O-CB 3.19Å; F778-F782 PolarHBondContact O-N 3.45Å; W779-F782 AromaticContact CE3-CD1 4Å; W779-F782 HydrophobicContact CE3-CD1 4Å; W779-F782 AromaticContact CZ3-CD1 3.84Å; W779-F782 HydrophobicContact CZ3-CD1 3.84Å; W779-F782 HydrophobicContact CZ3-CE1 4.41Å; W779-F782 PolarHBondContact O-N 2.99Å; F782-Q785 PolarHBondContact O-N 2.62Å; F782-L786 HydrophobicContact CE1-CB 4.43Å; F782-L786 HydrophobicContact CE1-CD2 3.98Å; F782-L786 WeakPolarHBondContact O-CB 3.31Å; F782-L786 PolarHBondContact O-N 2.92Å
783	K	78.3	Confident	75.2	Confident	49 Å²	49	56.1 Å²	56.1	21%	0.213	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-50.1	176.6	-179.9	-175.9	-179.8	176.4	0	111.1	S637 W779 P780 Q785 L786 C787 E838	S637-K783 VanDerWaalsContact CB-NZ 3.33Å; W779-K783 HydrophobicContact CD2-CB 4.02Å; W779-K783 HydrophobicContact CE3-CB 3.97Å; W779-K783 HydrophobicContact CH2-CB 3.82Å; W779-K783 HydrophobicContact CH2-CD 4.38Å; W779-K783 HydrophobicContact CH2-CG 3.94Å; W779-K783 HydrophobicContact CZ2-CB 3.88Å; W779-K783 HydrophobicContact CZ2-CD 3.72Å; W779-K783 HydrophobicContact CZ2-CG 3.8Å; W779-K783 HydrophobicContact CZ3-CB 3.89Å; W779-K783 WeakPolarHBondContact O-CB 3.18Å; W779-K783 PolarHBondContact O-N 2.93Å; P780-K783 PolarHBondContact O-N 3.43Å; K783-Q785 VanDerWaalsContact C-N 3.33Å; K783-Q785 PolarHBondContact O-N 3.12Å; K783-L786 PolarHBondContact O-N 2.95Å; K783-C787 VanDerWaalsContact O-CB 3.26Å; K783-C787 WeakPolarHBondContact O-CB 3.37Å; K783-C787 PolarHBondContact O-N 3.47Å; K783-C787 PolarHBondContact O-SG 3.34Å; K783-C787 VanDerWaalsContact O-SG 3.4Å; K783-E838 IonicContact NZ-OE1 3.82Å
784	E	79.7	Confident	76.1	Confident	118 Å²	118	56.3 Å²	56.3	55%	0.551	27%	0.269	S	S	*	.	H	α-helix	trans	-57.9	-47.9	178.9	-170	-167.7	156.2	0	0	110.9	P780 R788	P780-E784 WeakPolarHBondContact O-CB 3.49Å; P780-E784 PolarHBondContact O-N 3.08Å; E784-R788 WeakPolarHBondContact O-CB 3.3Å; E784-R788 PolarHBondContact O-N 3.49Å
785	Q	79.7	Confident	77.3	Confident	53 Å²	53	55.5 Å²	55.5	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-41.6	-179.3	-66.1	-63.4	-37.8	0	0	112.7	L607 V781 F782 K783 R789	L607-Q785 HydrophobicContact CD1-CB 3.59Å; L607-Q785 HydrophobicContact CD1-CG 4.41Å; L607-Q785 HydrophobicContact CD2-CB 4.42Å; V781-Q785 VanDerWaalsContact O-CG 3.27Å; V781-Q785 WeakPolarHBondContact O-CG 3.36Å; V781-Q785 PolarHBondContact O-N 3.5Å; F782-Q785 PolarHBondContact O-N 2.62Å; K783-Q785 VanDerWaalsContact C-N 3.33Å; K783-Q785 PolarHBondContact O-N 3.12Å; Q785-R789 WeakPolarHBondContact O-CB 3.39Å; Q785-R789 WeakPolarHBondContact O-CD 3.22Å; Q785-R789 VanDerWaalsContact O-CG 3.3Å; Q785-R789 WeakPolarHBondContact O-CG 3.42Å; Q785-R789 PolarHBondContact O-N 2.95Å
786	L	84.9	Confident	78.9	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-51.9	176.3	178.3	65	0	0	0	110.7	L607 I610 F782 K783 R789 T790 L843	L607-L786 HydrophobicContact CD2-CB 3.99Å; L607-L786 HydrophobicContact CD2-CD1 4.23Å; I610-L786 HydrophobicContact CD1-CD1 3.84Å; I610-L786 HydrophobicContact CG2-CD1 4.08Å; F782-L786 HydrophobicContact CE1-CB 4.43Å; F782-L786 HydrophobicContact CE1-CD2 3.98Å; F782-L786 WeakPolarHBondContact O-CB 3.31Å; F782-L786 PolarHBondContact O-N 2.92Å; K783-L786 PolarHBondContact O-N 2.95Å; L786-R789 PolarHBondContact O-N 3.41Å; L786-T790 VanDerWaalsContact O-CB 3.32Å; L786-T790 WeakPolarHBondContact O-CB 3.36Å; L786-T790 PolarHBondContact O-N 3.21Å; L786-T790 PolarHBondContact O-OG1 2.99Å; L786-L843 HydrophobicContact CD1-CD1 4.47Å; L786-L843 HydrophobicContact CD2-CD1 4.25Å; L786-L843 HydrophobicContact CG-CD1 4.13Å
787	C	84.6	Confident	80.4	Confident	21 Å²	21	51.2 Å²	51.2	14%	0.142	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-48.3	178.6	-75.3	0	0	0	0	111	K783 R789 T790 Y791 T846	K783-C787 VanDerWaalsContact O-CB 3.26Å; K783-C787 WeakPolarHBondContact O-CB 3.37Å; K783-C787 PolarHBondContact O-N 3.47Å; K783-C787 PolarHBondContact O-SG 3.34Å; K783-C787 VanDerWaalsContact O-SG 3.4Å; C787-R789 PolarHBondContact O-N 2.95Å; C787-T790 PolarHBondContact O-N 2.85Å; C787-Y791 WeakPolarHBondContact O-CB 3.38Å; C787-Y791 PolarHBondContact O-N 3.18Å; C787-T846 HydrophobicContact CB-CG2 4.09Å; C787-T846 VanDerWaalsContact O-CG2 3.3Å; C787-T846 WeakPolarHBondContact O-CG2 3.38Å; C787-T846 PolarHBondContact SG-OG1 2.97Å; C787-T846 VanDerWaalsContact SG-OG1 3.35Å
788	R	83.6	Confident	81.6	Confident	153 Å²	153	49.2 Å²	49.2	58%	0.577	23%	0.231	S	C	*	.	H	α-helix	trans	-58.5	-46.1	179.6	-174.9	175.2	179.1	173.7	-0.1	112.4	E784 Y791 L792	E784-R788 WeakPolarHBondContact O-CB 3.3Å; E784-R788 PolarHBondContact O-N 3.49Å; R788-Y791 PolarHBondContact O-N 2.73Å; R788-L792 HydrophobicContact CG-CD1 4.35Å; R788-L792 WeakPolarHBondContact O-CG 3.46Å; R788-L792 PolarHBondContact O-N 3.03Å
789	R	87.5	Confident	82.4	Confident	56 Å²	56	49.7 Å²	49.7	21%	0.211	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-40	177.4	-74.3	167.1	172.1	-132.9	8.9	112.3	E611 Q785 L786 C787 F793	E611-R789 WeakPolarHBondContact OE1-CD 3.41Å; E611-R789 WeakPolarHBondContact OE1-CG 3.49Å; E611-R789 IonicContact OE1-CZ 3.06Å; E611-R789 IonicContact OE1-NE 3.96Å; E611-R789 PolarHBondContact OE1-NE 2.94Å; E611-R789 IonicContact OE1-NH1 2.7Å; E611-R789 PolarHBondContact OE1-NH1 3.15Å; Q785-R789 WeakPolarHBondContact O-CB 3.39Å; Q785-R789 WeakPolarHBondContact O-CD 3.22Å; Q785-R789 VanDerWaalsContact O-CG 3.3Å; Q785-R789 WeakPolarHBondContact O-CG 3.42Å; Q785-R789 PolarHBondContact O-N 2.95Å; L786-R789 PolarHBondContact O-N 3.41Å; C787-R789 PolarHBondContact O-N 2.95Å; R789-F793 WeakPolarHBondContact O-CB 3.48Å; R789-F793 PolarHBondContact O-N 3.11Å
790	T	86.4	Confident	83	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-45.9	176.4	-52.6	0	0	0	0	111	R614 L786 C787 F793 Y794 L843 C847	R614-T790 VanDerWaalsContact CZ-OG1 3.22Å; R614-T790 PolarHBondContact NH1-OG1 3.06Å; R614-T790 PolarHBondContact NH2-OG1 2.75Å; L786-T790 VanDerWaalsContact O-CB 3.32Å; L786-T790 WeakPolarHBondContact O-CB 3.36Å; L786-T790 PolarHBondContact O-N 3.21Å; L786-T790 PolarHBondContact O-OG1 2.99Å; C787-T790 PolarHBondContact O-N 2.85Å; T790-F793 PolarHBondContact O-N 3.37Å; T790-Y794 HydrophobicContact CG2-CD2 3.74Å; T790-Y794 HydrophobicContact CG2-CE2 3.96Å; T790-Y794 WeakPolarHBondContact O-CD2 3.27Å; T790-Y794 PolarHBondContact O-N 3.09Å; T790-L843 HydrophobicContact CG2-CD1 3.82Å; T790-L843 WeakPolarHBondContact OG1-CD1 3.35Å; T790-C847 HydrophobicContact CG2-CB 4.39Å
791	Y	85.6	Confident	83.8	Confident	107 Å²	107	53 Å²	53	42%	0.42	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-53.8	177.6	-174.4	-90.4	0	0	0	111.1	C787 R788 F793 Y794 S795 T846 A850	C787-Y791 WeakPolarHBondContact O-CB 3.38Å; C787-Y791 PolarHBondContact O-N 3.18Å; R788-Y791 PolarHBondContact O-N 2.73Å; Y791-F793 VanDerWaalsContact C-N 3.34Å; Y791-F793 PolarHBondContact O-N 3.47Å; Y791-Y794 PolarHBondContact O-N 2.75Å; Y791-S795 VanDerWaalsContact O-CB 3.28Å; Y791-S795 WeakPolarHBondContact O-CB 3.33Å; Y791-S795 PolarHBondContact O-N 3.36Å; Y791-S795 PolarHBondContact O-OG 3.48Å; Y791-S795 VanDerWaalsContact O-OG 3.09Å; Y791-T846 HydrophobicContact CD2-CG2 4.24Å; Y791-A850 HydrophobicContact CD2-CB 3.63Å; Y791-A850 HydrophobicContact CE2-CB 4.05Å; Y791-A850 HydrophobicContact CG-CB 4.14Å
792	L	86.1	Confident	84.3	Confident	102 Å²	102	50.9 Å²	50.9	53%	0.534	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-43	-179.8	-70.5	171.7	0	0	0	112.7	R788 T796	R788-L792 HydrophobicContact CG-CD1 4.35Å; R788-L792 WeakPolarHBondContact O-CG 3.46Å; R788-L792 PolarHBondContact O-N 3.03Å; L792-T796 PolarHBondContact O-N 3.25Å; L792-T796 PolarHBondContact O-OG1 2.67Å
793	F	87.6	Confident	84.5	Confident	33 Å²	33	56.8 Å²	56.8	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-50.6	178.8	179.2	-99.9	0	0	0	112	R614 R615 R789 T790 Y791 T796 K797	R614-F793 HydrophobicContact CB-CD1 4.35Å; R614-F793 HydrophobicContact CB-CE1 3.77Å; R614-F793 HydrophobicContact CB-CE2 4.34Å; R614-F793 HydrophobicContact CB-CZ 3.74Å; R614-F793 HydrophobicContact CG-CE1 4.44Å; R615-F793 HydrophobicContact CG-CE2 3.87Å; R789-F793 WeakPolarHBondContact O-CB 3.48Å; R789-F793 PolarHBondContact O-N 3.11Å; T790-F793 PolarHBondContact O-N 3.37Å; Y791-F793 VanDerWaalsContact C-N 3.34Å; Y791-F793 PolarHBondContact O-N 3.47Å; F793-T796 PolarHBondContact O-N 3.42Å; F793-K797 HydrophobicContact CE1-CD 3.98Å; F793-K797 HydrophobicContact CZ-CD 4.18Å; F793-K797 VanDerWaalsContact CZ-CE 3.4Å; F793-K797 PolarHBondContact O-N 3.33Å
794	Y	88.1	Confident	84.6	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-78.3	-32.7	-175.6	-79.2	-60.6	0	0	0	113.6	T790 Y791 T796 K797 A798 A822 E826 C847 L851	T790-Y794 HydrophobicContact CG2-CD2 3.74Å; T790-Y794 HydrophobicContact CG2-CE2 3.96Å; T790-Y794 WeakPolarHBondContact O-CD2 3.27Å; T790-Y794 PolarHBondContact O-N 3.09Å; Y791-Y794 PolarHBondContact O-N 2.75Å; Y794-T796 VanDerWaalsContact C-N 3.28Å; Y794-T796 PolarHBondContact O-N 3.45Å; Y794-K797 HydrophobicContact CD1-CD 4.46Å; Y794-K797 PolarHBondContact O-N 2.68Å; Y794-A798 WeakPolarHBondContact O-CB 3.28Å; Y794-A798 PolarHBondContact O-N 2.99Å; Y794-A822 HydrophobicContact CD1-CB 4.44Å; Y794-A822 HydrophobicContact CE1-CB 3.75Å; Y794-E826 HydrophobicContact CE2-CG 3.59Å; Y794-E826 VanDerWaalsContact OH-CG 3.3Å; Y794-E826 WeakPolarHBondContact OH-CG 3.44Å; Y794-E826 PolarHBondContact OH-OE1 3.46Å; Y794-C847 HydrophobicContact CD2-CB 4.47Å; Y794-L851 HydrophobicContact CD1-CD1 4.01Å; Y794-L851 HydrophobicContact CD1-CD2 3.8Å; Y794-L851 HydrophobicContact CD1-CG 4.13Å; Y794-L851 HydrophobicContact CG-CD1 4.29Å; Y794-L851 HydrophobicContact CG-CD2 4.17Å; Y794-L851 HydrophobicContact CG-CG 4.17Å
795	S	85.4	Confident	84.7	Confident	12 Å²	12	52.7 Å²	52.7	8%	0.084	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-38.5	171.6	-67.4	0	0	0	0	111.4	Y791 A798 H799 A850	Y791-S795 VanDerWaalsContact O-CB 3.28Å; Y791-S795 WeakPolarHBondContact O-CB 3.33Å; Y791-S795 PolarHBondContact O-N 3.36Å; Y791-S795 PolarHBondContact O-OG 3.48Å; Y791-S795 VanDerWaalsContact O-OG 3.09Å; S795-A798 PolarHBondContact O-N 2.82Å; S795-H799 PolarHBondContact O-N 2.81Å; S795-H799 PolarHBondContact O-ND1 2.98Å; S795-A850 WeakPolarHBondContact CA-O 3.35Å; S795-A850 PolarHBondContact OG-O 3.43Å
796	T	86.2	Confident	84.5	Confident	93 Å²	93	54.8 Å²	54.8	57%	0.571	27%	0.266	S	S	*	.	H	α-helix	trans	-62.5	-45.8	175	-52.5	0	0	0	0	111.2	L792 F793 Y794 H799 T800	L792-T796 PolarHBondContact O-N 3.25Å; L792-T796 PolarHBondContact O-OG1 2.67Å; F793-T796 PolarHBondContact O-N 3.42Å; Y794-T796 VanDerWaalsContact C-N 3.28Å; Y794-T796 PolarHBondContact O-N 3.45Å; T796-H799 PolarHBondContact O-N 2.87Å; T796-T800 PolarHBondContact O-N 3.25Å; T796-T800 VanDerWaalsContact O-N 3.11Å; T796-T800 PolarHBondContact O-OG1 3.34Å
797	K	85.9	Confident	84.3	Confident	59 Å²	59	62.7 Å²	62.7	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-43.4	175.1	-77.8	-170.3	173.4	-177	0	112.4	F793 Y794 H799 T800 W801	F793-K797 HydrophobicContact CE1-CD 3.98Å; F793-K797 HydrophobicContact CZ-CD 4.18Å; F793-K797 VanDerWaalsContact CZ-CE 3.4Å; F793-K797 PolarHBondContact O-N 3.33Å; Y794-K797 HydrophobicContact CD1-CD 4.46Å; Y794-K797 PolarHBondContact O-N 2.68Å; K797-H799 VanDerWaalsContact C-N 3.33Å; K797-H799 PolarHBondContact O-N 3.1Å; K797-T800 WeakPolarHBondContact CA-OG1 3.38Å; K797-T800 PolarHBondContact O-N 2.83Å; K797-T800 PolarHBondContact O-OG1 3.37Å; K797-W801 HydrophobicContact CB-CH2 4.43Å; K797-W801 HydrophobicContact CB-CZ2 4.03Å; K797-W801 HydrophobicContact CD-CZ2 4.06Å; K797-W801 PolarHBondContact O-N 2.92Å
798	A	85.1	Confident	84.1	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-45.5	177.9	0	0	0	0	0	111.1	Y794 S795 T800 W801 C802 L851 P854 I855	Y794-A798 WeakPolarHBondContact O-CB 3.28Å; Y794-A798 PolarHBondContact O-N 2.99Å; S795-A798 PolarHBondContact O-N 2.82Å; A798-T800 PolarHBondContact O-N 3.47Å; A798-W801 PolarHBondContact O-N 3.24Å; A798-C802 WeakPolarHBondContact O-CB 3.49Å; A798-C802 PolarHBondContact O-N 3.38Å; A798-C802 PolarHBondContact O-SG 3.34Å; A798-L851 HydrophobicContact CB-CD2 4.18Å; A798-P854 HydrophobicContact CB-CB 4.09Å; A798-P854 HydrophobicContact CB-CG 4.13Å; A798-I855 HydrophobicContact CB-CG1 4.31Å
799	H	84.2	Confident	83.5	Confident	108 Å²	108	65.3 Å²	65.3	50%	0.5	32%	0.319	S	S	.	.	H	α-helix	trans	-61.1	-43.8	175.8	-76.5	79.4	0	0	0	112.3	S795 T796 K797 W801 C802 Q803	S795-H799 PolarHBondContact O-N 2.81Å; S795-H799 PolarHBondContact O-ND1 2.98Å; T796-H799 PolarHBondContact O-N 2.87Å; K797-H799 VanDerWaalsContact C-N 3.33Å; K797-H799 PolarHBondContact O-N 3.1Å; H799-W801 VanDerWaalsContact C-N 3.34Å; H799-W801 PolarHBondContact O-N 2.83Å; H799-C802 PolarHBondContact O-N 2.64Å; H799-Q803 WeakPolarHBondContact O-CG 3.34Å; H799-Q803 PolarHBondContact O-N 3.4Å
800	T	85.2	Confident	82.8	Confident	60 Å²	60	66 Å²	66	37%	0.368	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-41.4	176.6	54.1	0	0	0	0	112.1	T796 K797 A798 Q803 E804	T796-T800 PolarHBondContact O-N 3.25Å; T796-T800 VanDerWaalsContact O-N 3.11Å; T796-T800 PolarHBondContact O-OG1 3.34Å; K797-T800 WeakPolarHBondContact CA-OG1 3.38Å; K797-T800 PolarHBondContact O-N 2.83Å; K797-T800 PolarHBondContact O-OG1 3.37Å; A798-T800 PolarHBondContact O-N 3.47Å; T800-Q803 PolarHBondContact O-N 3.45Å; T800-E804 WeakPolarHBondContact O-CG 3.18Å; T800-E804 PolarHBondContact O-N 3.42Å; T800-E804 VanDerWaalsContact O-N 3.09Å
801	W	86.2	Confident	82.2	Confident	25 Å²	25	68.2 Å²	68.2	10%	0.095	35%	0.347	C	S	.	.	H	α-helix	trans	-70.6	-33.2	177.8	-55.4	-24	0	0	0	112.4	K797 A798 H799 E804 V805 L815 K818 A822 L851 I855	K797-W801 HydrophobicContact CB-CH2 4.43Å; K797-W801 HydrophobicContact CB-CZ2 4.03Å; K797-W801 HydrophobicContact CD-CZ2 4.06Å; K797-W801 PolarHBondContact O-N 2.92Å; A798-W801 PolarHBondContact O-N 3.24Å; H799-W801 VanDerWaalsContact C-N 3.34Å; H799-W801 PolarHBondContact O-N 2.83Å; W801-E804 WeakPolarHBondContact O-CB 3.32Å; W801-E804 PolarHBondContact O-N 2.91Å; W801-V805 VanDerWaalsContact O-CG2 3.24Å; W801-V805 WeakPolarHBondContact O-CG2 3.28Å; W801-V805 PolarHBondContact O-N 2.95Å; W801-L815 HydrophobicContact CB-CD1 3.36Å; W801-L815 HydrophobicContact CD2-CD1 4.26Å; W801-L815 HydrophobicContact CE3-CD1 3.96Å; W801-L815 HydrophobicContact CG-CD1 4.09Å; W801-K818 HydrophobicContact CD2-CB 4.37Å; W801-K818 HydrophobicContact CD2-CD 4.41Å; W801-K818 HydrophobicContact CG-CD 4.35Å; W801-K818 HydrophobicContact CH2-CB 4.08Å; W801-K818 HydrophobicContact CZ2-CB 3.93Å; W801-K818 HydrophobicContact CZ3-CB 4.37Å; W801-A822 HydrophobicContact CH2-CB 4.09Å; W801-L851 HydrophobicContact CE3-CD2 4.45Å; W801-L851 HydrophobicContact CH2-CD2 4.21Å; W801-L851 HydrophobicContact CZ3-CD2 3.69Å; W801-I855 HydrophobicContact CE3-CD1 4.28Å
802	C	82.2	Confident	81.7	Confident	12 Å²	12	66.6 Å²	66.6	8%	0.081	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-42.7	173.4	-69.7	0	0	0	0	111.5	A798 H799 V805 V806 I855	A798-C802 WeakPolarHBondContact O-CB 3.49Å; A798-C802 PolarHBondContact O-N 3.38Å; A798-C802 PolarHBondContact O-SG 3.34Å; H799-C802 PolarHBondContact O-N 2.64Å; C802-V805 PolarHBondContact O-N 3.2Å; C802-V806 WeakPolarHBondContact O-CG2 3.36Å; C802-V806 PolarHBondContact O-N 3.06Å; C802-I855 VanDerWaalsContact SG-CA 3.56Å
803	Q	82	Confident	81.1	Confident	125 Å²	125	66.6 Å²	66.6	58%	0.584	35%	0.345	S	S	*	.	H	α-helix	trans	-61.2	-46.8	175.7	-73.2	177.6	-15.3	0	0	111.5	H799 T800 V805 V806 E807	H799-Q803 WeakPolarHBondContact O-CG 3.34Å; H799-Q803 PolarHBondContact O-N 3.4Å; T800-Q803 PolarHBondContact O-N 3.45Å; Q803-V805 VanDerWaalsContact C-N 3.27Å; Q803-V805 PolarHBondContact O-N 2.93Å; Q803-V806 PolarHBondContact O-N 3.36Å; Q803-V806 VanDerWaalsContact O-N 3.15Å; Q803-E807 WeakPolarHBondContact O-CG 3.37Å; Q803-E807 PolarHBondContact O-N 3.37Å
804	E	81.5	Confident	80.5	Confident	65 Å²	65	70.1 Å²	70.1	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-53.5	-41.9	173.8	-82.7	177	-174.1	0	0	112.8	T800 W801 E807 D808 K818	T800-E804 WeakPolarHBondContact O-CG 3.18Å; T800-E804 PolarHBondContact O-N 3.42Å; T800-E804 VanDerWaalsContact O-N 3.09Å; W801-E804 WeakPolarHBondContact O-CB 3.32Å; W801-E804 PolarHBondContact O-N 2.91Å; E804-E807 PolarHBondContact O-N 3.27Å; E804-D808 PolarHBondContact O-N 3.37Å; E804-K818 IonicContact OE1-NZ 2.64Å; E804-K818 IonicContact OE2-NZ 2.71Å; E804-K818 PolarHBondContact OE2-NZ 3.06Å
805	V	80.1	Confident	80.1	Confident	15 Å²	15	70.6 Å²	70.6	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-74.4	-32.2	179.7	171.2	0	0	0	0	112.8	W801 C802 Q803 E807 D808 Q811 L812 L815	W801-V805 VanDerWaalsContact O-CG2 3.24Å; W801-V805 WeakPolarHBondContact O-CG2 3.28Å; W801-V805 PolarHBondContact O-N 2.95Å; C802-V805 PolarHBondContact O-N 3.2Å; Q803-V805 VanDerWaalsContact C-N 3.27Å; Q803-V805 PolarHBondContact O-N 2.93Å; V805-E807 VanDerWaalsContact C-N 3.33Å; V805-D808 CarbonylContact O-C 3.41Å; V805-Q811 HydrophobicContact CG2-CB 4.45Å; V805-L812 HydrophobicContact CG1-CB 4.34Å; V805-L812 HydrophobicContact CG1-CD1 4Å; V805-L812 HydrophobicContact CG1-CG 4.3Å; V805-L815 HydrophobicContact CG2-CB 4.22Å; V805-L815 HydrophobicContact CG2-CD1 4.48Å; V805-L815 HydrophobicContact CG2-CD2 4.25Å
806	V	77.3	Confident	79.6	Confident	98 Å²	98	73.4 Å²	73.4	59%	0.594	38%	0.376	S	S	*	.	H	α-helix	trans	-67.4	-37	173.3	170.6	0	0	0	0	110.7	C802 Q803	C802-V806 WeakPolarHBondContact O-CG2 3.36Å; C802-V806 PolarHBondContact O-N 3.06Å; Q803-V806 PolarHBondContact O-N 3.36Å; Q803-V806 VanDerWaalsContact O-N 3.15Å
807	E	80.3	Confident	79.2	Confident	168 Å²	168	74.3 Å²	74.3	79%	0.785	38%	0.377	S	S	*	.	H	α-helix	trans	-74	-39.9	177.2	-69.7	-179.9	178.1	0	0	112.7	Q803 E804 V805	Q803-E807 WeakPolarHBondContact O-CG 3.37Å; Q803-E807 PolarHBondContact O-N 3.37Å; E804-E807 PolarHBondContact O-N 3.27Å; V805-E807 VanDerWaalsContact C-N 3.33Å
808	D	79.5	Confident	79.1	Confident	70 Å²	70	74.6 Å²	74.6	37%	0.374	38%	0.378	S	S	.	.			trans	-140	107	179.4	179.3	10.1	0	0	0	112.4	E804 V805 A810 Q811	E804-D808 PolarHBondContact O-N 3.37Å; V805-D808 CarbonylContact O-C 3.41Å; D808-A810 PolarHBondContact O-N 3.43Å; D808-A810 VanDerWaalsContact O-N 3.13Å; D808-A810 VanDerWaalsContact OD1-CB 3.29Å; D808-A810 WeakPolarHBondContact OD1-CB 3.28Å; D808-A810 PolarHBondContact OD1-N 3.12Å; D808-Q811 HydrophobicContact CB-CG 3.91Å; D808-Q811 WeakPolarHBondContact O-CB 3.46Å; D808-Q811 PolarHBondContact O-N 3.42Å; D808-Q811 WeakPolarHBondContact OD2-CG 3.42Å; D808-Q811 PolarHBondContact OD2-NE2 3.47Å
809	K	71.9	Confident	79	Confident	160 Å²	160	75.5 Å²	75.5	70%	0.696	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-63.2	-19.5	180	-66.6	-168.7	176.9	-169.9	0	113.5	Q811 L812	K809-Q811 PolarHBondContact O-N 3.48Å; K809-L812 WeakPolarHBondContact O-CB 3.38Å; K809-L812 PolarHBondContact O-N 3.22Å
810	A	72.3	Confident	78.8	Confident	69 Å²	69	72.6 Å²	72.6	57%	0.57	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-69.6	-20.4	174.7	0	0	0	0	0	112.5	D808 L812	D808-A810 PolarHBondContact O-N 3.43Å; D808-A810 VanDerWaalsContact O-N 3.13Å; D808-A810 VanDerWaalsContact OD1-CB 3.29Å; D808-A810 WeakPolarHBondContact OD1-CB 3.28Å; D808-A810 PolarHBondContact OD1-N 3.12Å; A810-L812 PolarHBondContact O-N 3.19Å
811	Q	74	Confident	78.7	Confident	48 Å²	48	73 Å²	73	22%	0.224	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-76.2	-6.8	178.6	-59	-173.2	19.2	0	0	113.4	V805 D808 K809 L813 Q814 L815	V805-Q811 HydrophobicContact CG2-CB 4.45Å; D808-Q811 HydrophobicContact CB-CG 3.91Å; D808-Q811 WeakPolarHBondContact O-CB 3.46Å; D808-Q811 PolarHBondContact O-N 3.42Å; D808-Q811 WeakPolarHBondContact OD2-CG 3.42Å; D808-Q811 PolarHBondContact OD2-NE2 3.47Å; K809-Q811 PolarHBondContact O-N 3.48Å; Q811-L813 PolarHBondContact O-N 3.01Å; Q811-Q814 CarbonylContact O-C 3.56Å; Q811-Q814 WeakPolarHBondContact O-CA 3.44Å; Q811-Q814 WeakPolarHBondContact O-CB 3.34Å; Q811-Q814 PolarHBondContact O-N 3.28Å; Q811-L815 PolarHBondContact O-N 3.23Å
812	L	74.1	Confident	78.6	Confident	72 Å²	72	72.2 Å²	72.2	38%	0.377	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-31.9	176.6	-156.1	147.2	0	0	0	112.1	V805 K809 A810 L815	V805-L812 HydrophobicContact CG1-CB 4.34Å; V805-L812 HydrophobicContact CG1-CD1 4Å; V805-L812 HydrophobicContact CG1-CG 4.3Å; K809-L812 WeakPolarHBondContact O-CB 3.38Å; K809-L812 PolarHBondContact O-N 3.22Å; A810-L812 PolarHBondContact O-N 3.19Å; L812-L815 WeakPolarHBondContact O-CB 3.24Å
813	L	73.3	Confident	78.6	Confident	103 Å²	103	73.5 Å²	73.5	54%	0.539	38%	0.381	S	S	.	.	H	α-helix	trans	-70.1	-36.1	171.3	-71.7	171.7	0	0	0	112.3	L48 Q811	L48-L813 HydrophobicContact CD2-CD2 3.47Å; L48-L813 VanDerWaalsContact CD2-CD2 3.47Å; Q811-L813 PolarHBondContact O-N 3.01Å
814	Q	76.2	Confident	78.6	Confident	107 Å²	107	76.1 Å²	76.1	50%	0.5	39%	0.386	S	S	.	.	H	α-helix	trans	-73.3	-32.2	177.5	-63.8	-173.4	-1.7	0	0	111.9	Q811 F816 N817 K818	Q811-Q814 CarbonylContact O-C 3.56Å; Q811-Q814 WeakPolarHBondContact O-CA 3.44Å; Q811-Q814 WeakPolarHBondContact O-CB 3.34Å; Q811-Q814 PolarHBondContact O-N 3.28Å; Q814-F816 VanDerWaalsContact C-N 3.28Å; Q814-F816 PolarHBondContact O-N 3.46Å; Q814-N817 PolarHBondContact O-N 3.44Å; Q814-K818 WeakPolarHBondContact O-CG 3.43Å; Q814-K818 PolarHBondContact O-N 3.38Å
815	L	79	Confident	78.8	Confident	13 Å²	13	74.5 Å²	74.5	7%	0.068	38%	0.378	C	S	.	.	H	α-helix	trans	-55.1	-43.9	173.2	-179	75.3	0	0	0	111.4	W801 V805 Q811 L812 N817 K818 L819 I855 I859	W801-L815 HydrophobicContact CB-CD1 3.36Å; W801-L815 HydrophobicContact CD2-CD1 4.26Å; W801-L815 HydrophobicContact CE3-CD1 3.96Å; W801-L815 HydrophobicContact CG-CD1 4.09Å; V805-L815 HydrophobicContact CG2-CB 4.22Å; V805-L815 HydrophobicContact CG2-CD1 4.48Å; V805-L815 HydrophobicContact CG2-CD2 4.25Å; Q811-L815 PolarHBondContact O-N 3.23Å; L812-L815 WeakPolarHBondContact O-CB 3.24Å; L815-N817 VanDerWaalsContact C-N 3.34Å; L815-N817 PolarHBondContact O-N 3.38Å; L815-K818 PolarHBondContact O-N 3.09Å; L815-L819 VanDerWaalsContact O-CB 3.29Å; L815-L819 WeakPolarHBondContact O-CB 3.29Å; L815-L819 PolarHBondContact O-N 3.27Å; L815-I855 HydrophobicContact CD1-CD1 4.07Å; L815-I855 HydrophobicContact CD2-CG2 3.78Å; L815-I859 HydrophobicContact CD2-CD1 4.3Å
816	F	75.1	Confident	79	Confident	72 Å²	72	74 Å²	74	32%	0.316	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-41.4	179	-173.8	-107.2	0	0	0	112.2	L56 Q814 L819 N820	L56-F816 HydrophobicContact CD1-CE2 3.73Å; L56-F816 HydrophobicContact CD1-CZ 3.99Å; Q814-F816 VanDerWaalsContact C-N 3.28Å; Q814-F816 PolarHBondContact O-N 3.46Å; F816-L819 PolarHBondContact O-N 3.12Å; F816-N820 WeakPolarHBondContact CD1-ND2 3.24Å; F816-N820 WeakPolarHBondContact CE1-ND2 3.4Å; F816-N820 WeakPolarHBondContact CZ-ND2 3.2Å; F816-N820 WeakPolarHBondContact O-CB 3.38Å; F816-N820 PolarHBondContact O-N 2.86Å; F816-N820 PolarHBondContact O-ND2 3.49Å
817	N	79	Confident	79.3	Confident	112 Å²	112	74.1 Å²	74.1	60%	0.599	37%	0.369	S	S	*	.	H	α-helix	trans	-67.1	-41	175.9	-71	-26.9	0	0	0	112	Q814 L815 S821	Q814-N817 PolarHBondContact O-N 3.44Å; L815-N817 VanDerWaalsContact C-N 3.34Å; L815-N817 PolarHBondContact O-N 3.38Å; N817-S821 VanDerWaalsContact O-CB 3.28Å; N817-S821 WeakPolarHBondContact O-CB 3.01Å; N817-S821 PolarHBondContact O-N 3.32Å
818	K	83.1	Confident	79.4	Confident	64 Å²	64	72.5 Å²	72.5	28%	0.278	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-43.7	175.3	-70.3	177.1	-175.9	-179.4	0	111.5	W801 E804 Q814 L815 S821 A822	W801-K818 HydrophobicContact CD2-CB 4.37Å; W801-K818 HydrophobicContact CD2-CD 4.41Å; W801-K818 HydrophobicContact CG-CD 4.35Å; W801-K818 HydrophobicContact CH2-CB 4.08Å; W801-K818 HydrophobicContact CZ2-CB 3.93Å; W801-K818 HydrophobicContact CZ3-CB 4.37Å; E804-K818 IonicContact OE1-NZ 2.64Å; E804-K818 IonicContact OE2-NZ 2.71Å; E804-K818 PolarHBondContact OE2-NZ 3.06Å; Q814-K818 WeakPolarHBondContact O-CG 3.43Å; Q814-K818 PolarHBondContact O-N 3.38Å; L815-K818 PolarHBondContact O-N 3.09Å; K818-S821 PolarHBondContact O-N 2.86Å; K818-A822 WeakPolarHBondContact O-CB 3.42Å; K818-A822 PolarHBondContact O-N 3.44Å
819	L	81.8	Confident	79.7	Confident	20 Å²	20	69.2 Å²	69.2	11%	0.105	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-50.8	176.4	179	71.6	0	0	0	111.6	L815 F816 S821 A822 L823 L851 I852 I855	L815-L819 VanDerWaalsContact O-CB 3.29Å; L815-L819 WeakPolarHBondContact O-CB 3.29Å; L815-L819 PolarHBondContact O-N 3.27Å; F816-L819 PolarHBondContact O-N 3.12Å; L819-S821 VanDerWaalsContact C-N 3.3Å; L819-S821 PolarHBondContact O-N 3.47Å; L819-A822 PolarHBondContact O-N 3.27Å; L819-L823 HydrophobicContact CD1-CD1 4.3Å; L819-L823 HydrophobicContact CG-CD1 4.12Å; L819-L823 WeakPolarHBondContact O-CG 3.49Å; L819-L823 PolarHBondContact O-N 3.5Å; L819-L851 HydrophobicContact CD1-CB 3.8Å; L819-L851 HydrophobicContact CD1-CD1 3.92Å; L819-L851 HydrophobicContact CD1-CG 4.34Å; L819-I852 HydrophobicContact CD1-CD1 3.95Å; L819-I852 HydrophobicContact CD2-CD1 3.75Å; L819-I852 HydrophobicContact CG-CD1 4.47Å; L819-I855 HydrophobicContact CD1-CD1 4.35Å
820	N	80.2	Confident	80.2	Confident	46 Å²	46	61.8 Å²	61.8	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-38	178.9	-82.3	-31	0	0	0	112.2	F816 R824	F816-N820 WeakPolarHBondContact CD1-ND2 3.24Å; F816-N820 WeakPolarHBondContact CE1-ND2 3.4Å; F816-N820 WeakPolarHBondContact CZ-ND2 3.2Å; F816-N820 WeakPolarHBondContact O-CB 3.38Å; F816-N820 PolarHBondContact O-N 2.86Å; F816-N820 PolarHBondContact O-ND2 3.49Å; N820-R824 WeakPolarHBondContact O-CB 3.44Å; N820-R824 VanDerWaalsContact O-CG 3.27Å; N820-R824 WeakPolarHBondContact O-CG 3.34Å; N820-R824 PolarHBondContact O-N 2.97Å
821	S	83.9	Confident	80.6	Confident	70 Å²	70	63.8 Å²	63.8	49%	0.49	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-45.2	174.5	-178.8	0	0	0	0	111.5	N817 K818 L819 R824 H825	N817-S821 VanDerWaalsContact O-CB 3.28Å; N817-S821 WeakPolarHBondContact O-CB 3.01Å; N817-S821 PolarHBondContact O-N 3.32Å; K818-S821 PolarHBondContact O-N 2.86Å; L819-S821 VanDerWaalsContact C-N 3.3Å; L819-S821 PolarHBondContact O-N 3.47Å; S821-R824 PolarHBondContact O-N 3.38Å; S821-H825 WeakPolarHBondContact O-CB 3.46Å; S821-H825 PolarHBondContact O-N 3.45Å
822	A	84	Confident	80.8	Confident	8 Å²	8	69.7 Å²	69.7	7%	0.066	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-44.7	177.9	0	0	0	0	0	113	Y794 W801 K818 L819 H825 E826 L851	Y794-A822 HydrophobicContact CD1-CB 4.44Å; Y794-A822 HydrophobicContact CE1-CB 3.75Å; W801-A822 HydrophobicContact CH2-CB 4.09Å; K818-A822 WeakPolarHBondContact O-CB 3.42Å; K818-A822 PolarHBondContact O-N 3.44Å; L819-A822 PolarHBondContact O-N 3.27Å; A822-H825 WeakPolarHBondContact O-CB 3.5Å; A822-H825 PolarHBondContact O-N 2.85Å; A822-E826 PolarHBondContact O-N 3.29Å; A822-E826 VanDerWaalsContact O-N 3.16Å; A822-L851 HydrophobicContact CB-CD1 4.08Å
823	L	82.7	Confident	81	Confident	39 Å²	39	67.1 Å²	67.1	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-65.9	-42.8	178.1	-69.5	172.5	0	0	0	111.9	L819 H825 E826 Q827 W848 L851	L819-L823 HydrophobicContact CD1-CD1 4.3Å; L819-L823 HydrophobicContact CG-CD1 4.12Å; L819-L823 WeakPolarHBondContact O-CG 3.49Å; L819-L823 PolarHBondContact O-N 3.5Å; L823-H825 VanDerWaalsContact C-N 3.29Å; L823-H825 PolarHBondContact O-N 2.96Å; L823-E826 PolarHBondContact O-N 3.29Å; L823-Q827 WeakPolarHBondContact O-CB 3.45Å; L823-Q827 PolarHBondContact O-N 3.42Å; L823-W848 HydrophobicContact CD1-CE3 3.86Å; L823-W848 HydrophobicContact CD1-CZ3 3.69Å; L823-W848 HydrophobicContact CD2-CE3 4.1Å; L823-L851 HydrophobicContact CD2-CD1 4.27Å
824	R	82.6	Confident	81.1	Confident	179 Å²	179	62.9 Å²	62.9	68%	0.675	30%	0.299	S	S	*	.	H	α-helix	trans	-63	-36.6	174.8	-75.4	-179.8	-176.9	173.5	3	111.8	N820 S821 Q827 M828	N820-R824 WeakPolarHBondContact O-CB 3.44Å; N820-R824 VanDerWaalsContact O-CG 3.27Å; N820-R824 WeakPolarHBondContact O-CG 3.34Å; N820-R824 PolarHBondContact O-N 2.97Å; S821-R824 PolarHBondContact O-N 3.38Å; R824-Q827 PolarHBondContact O-N 3.11Å; R824-M828 WeakPolarHBondContact O-CB 3.45Å; R824-M828 VanDerWaalsContact O-CG 3.23Å; R824-M828 WeakPolarHBondContact O-CG 3.4Å; R824-M828 PolarHBondContact O-N 3.43Å
825	H	84.4	Confident	80.6	Confident	31 Å²	31	60.8 Å²	60.8	14%	0.144	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-45.8	178.4	-168.2	-96	0	0	0	112.3	H613 H617 S821 A822 L823 M828 F829	H613-H825 AromaticContact CD2-CE1 3.78Å; H613-H825 AromaticContact CE1-CE1 3.99Å; H613-H825 AromaticContact CE1-NE2 3.9Å; H613-H825 AromaticContact NE2-CE1 3.57Å; H613-H825 AromaticContact NE2-NE2 3.82Å; H617-H825 AromaticContact CE1-CD2 3.63Å; H617-H825 AromaticContact CE1-CG 3.97Å; H617-H825 AromaticContact CE1-NE2 3.76Å; H617-H825 AromaticContact CG-NE2 3.99Å; H617-H825 AromaticContact ND1-CD2 3.16Å; H617-H825 PolarHBondContact ND1-CD2 2.88Å; H617-H825 AromaticContact ND1-CE1 3.79Å; H617-H825 AromaticContact ND1-CG 3.93Å; H617-H825 AromaticContact ND1-NE2 3.03Å; H617-H825 PolarHBondContact ND1-NE2 3.22Å; S821-H825 WeakPolarHBondContact O-CB 3.46Å; S821-H825 PolarHBondContact O-N 3.45Å; A822-H825 WeakPolarHBondContact O-CB 3.5Å; A822-H825 PolarHBondContact O-N 2.85Å; L823-H825 VanDerWaalsContact C-N 3.29Å; L823-H825 PolarHBondContact O-N 2.96Å; H825-M828 PolarHBondContact O-N 3.32Å; H825-F829 PolarHBondContact O-N 3.23Å; H825-F829 VanDerWaalsContact O-N 3.11Å
826	E	85.1	Confident	80.1	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.028	31%	0.306	C	S	.	.	H	α-helix	trans	-68.5	-35.5	175.6	-70.3	-64.2	130.1	0	0	112.4	R614 Y794 A822 L823 F829 A830 L843 C847	R614-E826 WeakPolarHBondContact CD-OE1 3.45Å; R614-E826 WeakPolarHBondContact CG-OE1 3.21Å; R614-E826 IonicContact CZ-OE1 2.77Å; R614-E826 IonicContact CZ-OE2 2.75Å; R614-E826 IonicContact NE-OE1 3.06Å; R614-E826 PolarHBondContact NE-OE1 3.13Å; R614-E826 IonicContact NE-OE2 2.69Å; R614-E826 IonicContact NH2-OE1 2.91Å; R614-E826 IonicContact NH2-OE2 2.6Å; R614-E826 PolarHBondContact NH2-OE2 3.28Å; Y794-E826 HydrophobicContact CE2-CG 3.59Å; Y794-E826 VanDerWaalsContact OH-CG 3.3Å; Y794-E826 WeakPolarHBondContact OH-CG 3.44Å; Y794-E826 PolarHBondContact OH-OE1 3.46Å; A822-E826 PolarHBondContact O-N 3.29Å; A822-E826 VanDerWaalsContact O-N 3.16Å; L823-E826 PolarHBondContact O-N 3.29Å; E826-F829 PolarHBondContact O-N 3.45Å; E826-A830 WeakPolarHBondContact O-CB 3.22Å; E826-A830 PolarHBondContact O-N 2.81Å; E826-L843 WeakPolarHBondContact OE2-CD2 3.24Å; E826-C847 HydrophobicContact CG-CB 4.39Å
827	Q	82.4	Confident	79.7	Confident	99 Å²	99	63.2 Å²	63.2	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-45.6	175.6	-172.6	63.1	43.1	0	0	111.4	L823 R824 F829 A830 D831	L823-Q827 WeakPolarHBondContact O-CB 3.45Å; L823-Q827 PolarHBondContact O-N 3.42Å; R824-Q827 PolarHBondContact O-N 3.11Å; Q827-F829 VanDerWaalsContact C-N 3.28Å; Q827-F829 PolarHBondContact O-N 3Å; Q827-A830 PolarHBondContact O-N 3.09Å; Q827-D831 PolarHBondContact NE2-OD1 3.05Å; Q827-D831 PolarHBondContact NE2-OD2 3.15Å; Q827-D831 WeakPolarHBondContact O-CB 3.13Å; Q827-D831 VanDerWaalsContact O-CG 3.26Å; Q827-D831 PolarHBondContact O-N 3.44Å
828	M	82.4	Confident	79.2	Confident	134 Å²	134	59.2 Å²	59.2	66%	0.66	30%	0.299	S	S	*	.	H	α-helix	trans	-62.1	-36	176.2	-73.9	-69.2	-66.2	0	0	112.4	R824 H825 R832	R824-M828 WeakPolarHBondContact O-CB 3.45Å; R824-M828 VanDerWaalsContact O-CG 3.23Å; R824-M828 WeakPolarHBondContact O-CG 3.4Å; R824-M828 PolarHBondContact O-N 3.43Å; H825-M828 PolarHBondContact O-N 3.32Å; M828-R832 VanDerWaalsContact O-CB 3.28Å; M828-R832 WeakPolarHBondContact O-CB 3.42Å; M828-R832 PolarHBondContact O-N 2.95Å
829	F	85.8	Confident	78.7	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-47.7	172.7	173.7	-92.3	0	0	0	111.3	I610 H613 I620 F625 L629 H825 E826 Q827 R832 F833 L834 L843	I610-F829 HydrophobicContact CD1-CE2 4.48Å; I610-F829 HydrophobicContact CD1-CZ 3.74Å; I610-F829 HydrophobicContact CG1-CE2 3.95Å; I610-F829 HydrophobicContact CG1-CZ 3.7Å; I610-F829 HydrophobicContact CG2-CE1 4.48Å; I610-F829 HydrophobicContact CG2-CE2 4.31Å; I610-F829 HydrophobicContact CG2-CZ 4.07Å; H613-F829 AromaticContact CD2-CD2 3.89Å; I620-F829 HydrophobicContact CD1-CD2 4.26Å; I620-F829 HydrophobicContact CD1-CE2 3.77Å; F625-F829 HydrophobicContact CE1-CE2 4.42Å; L629-F829 HydrophobicContact CD1-CZ 4.32Å; H825-F829 PolarHBondContact O-N 3.23Å; H825-F829 VanDerWaalsContact O-N 3.11Å; E826-F829 PolarHBondContact O-N 3.45Å; Q827-F829 VanDerWaalsContact C-N 3.28Å; Q827-F829 PolarHBondContact O-N 3Å; F829-R832 PolarHBondContact O-N 2.94Å; F829-F833 AromaticContact CD2-CD2 3.59Å; F829-F833 HydrophobicContact CD2-CD2 3.59Å; F829-F833 HydrophobicContact CD2-CE2 4.17Å; F829-F833 HydrophobicContact CD2-CG 4.47Å; F829-F833 HydrophobicContact CE2-CB 4.26Å; F829-F833 AromaticContact CE2-CD2 3.73Å; F829-F833 HydrophobicContact CE2-CD2 3.73Å; F829-F833 HydrophobicContact CE2-CE2 4.41Å; F829-F833 HydrophobicContact CE2-CG 4.24Å; F829-F833 HydrophobicContact CG-CD2 4.34Å; F829-F833 HydrophobicContact CZ-CB 4.33Å; F829-F833 PolarHBondContact O-N 2.99Å; F829-L834 HydrophobicContact CE1-CD1 4.45Å; F829-L834 HydrophobicContact CE1-CG 4.36Å; F829-L843 HydrophobicContact CD1-CD2 3.77Å; F829-L843 HydrophobicContact CE1-CD2 4.09Å
830	A	83.4	Confident	78.5	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-49.1	179.8	0	0	0	0	0	111.7	E826 Q827 R832 L834 A840	E826-A830 WeakPolarHBondContact O-CB 3.22Å; E826-A830 PolarHBondContact O-N 2.81Å; Q827-A830 PolarHBondContact O-N 3.09Å; A830-R832 PolarHBondContact O-N 3.02Å; A830-L834 HydrophobicContact CB-CD1 4.07Å; A830-L834 WeakPolarHBondContact O-CA 3.16Å; A830-L834 WeakPolarHBondContact O-CB 3.27Å; A830-L834 PolarHBondContact O-N 3.3Å; A830-A840 HydrophobicContact CB-CB 3.94Å
831	D	79.9	Confident	78.3	Confident	111 Å²	111	57.7 Å²	57.7	59%	0.594	30%	0.295	S	S	*	.	H	α-helix	trans	-64	-30.6	-178.2	-66.9	-22.4	0	0	0	112.6	Q827	Q827-D831 PolarHBondContact NE2-OD1 3.05Å; Q827-D831 PolarHBondContact NE2-OD2 3.15Å; Q827-D831 WeakPolarHBondContact O-CB 3.13Å; Q827-D831 VanDerWaalsContact O-CG 3.26Å; Q827-D831 PolarHBondContact O-N 3.44Å
832	R	79.1	Confident	78	Confident	171 Å²	171	55 Å²	55	65%	0.645	28%	0.277	S	S	*	.	H	α-helix	trans	-86.4	-38.7	-177.7	-173.9	172.5	178.7	176.8	-0.7	113.4	M828 F829 A830	M828-R832 VanDerWaalsContact O-CB 3.28Å; M828-R832 WeakPolarHBondContact O-CB 3.42Å; M828-R832 PolarHBondContact O-N 2.95Å; F829-R832 PolarHBondContact O-N 2.94Å; A830-R832 PolarHBondContact O-N 3.02Å
833	F	76.8	Confident	77.9	Confident	18 Å²	18	54.7 Å²	54.7	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-117.3	-22.5	-166.8	-65.6	-71.6	0	0	0	114.7	I620 F625 D626 L629 F829 P835	I620-F833 HydrophobicContact CB-CZ 4.34Å; I620-F833 HydrophobicContact CD1-CE2 4.42Å; F625-F833 AromaticContact CD1-CD1 3.68Å; F625-F833 HydrophobicContact CD1-CD1 3.68Å; F625-F833 AromaticContact CD1-CE1 3.71Å; F625-F833 HydrophobicContact CD1-CE1 3.71Å; F625-F833 HydrophobicContact CD1-CG 4.39Å; F625-F833 HydrophobicContact CD1-CZ 4.44Å; F625-F833 HydrophobicContact CE1-CD1 4.04Å; F625-F833 HydrophobicContact CE1-CE1 4.25Å; F625-F833 HydrophobicContact CE1-CG 4.31Å; D626-F833 HydrophobicContact CB-CD1 4.22Å; L629-F833 HydrophobicContact CD1-CB 3.79Å; L629-F833 HydrophobicContact CD1-CG 4.42Å; F829-F833 AromaticContact CD2-CD2 3.59Å; F829-F833 HydrophobicContact CD2-CD2 3.59Å; F829-F833 HydrophobicContact CD2-CE2 4.17Å; F829-F833 HydrophobicContact CD2-CG 4.47Å; F829-F833 HydrophobicContact CE2-CB 4.26Å; F829-F833 AromaticContact CE2-CD2 3.73Å; F829-F833 HydrophobicContact CE2-CD2 3.73Å; F829-F833 HydrophobicContact CE2-CE2 4.41Å; F829-F833 HydrophobicContact CE2-CG 4.24Å; F829-F833 HydrophobicContact CG-CD2 4.34Å; F829-F833 HydrophobicContact CZ-CB 4.33Å; F829-F833 PolarHBondContact O-N 2.99Å; F833-P835 WeakPolarHBondContact O-CD 3.37Å
834	L	76.9	Confident	77.9	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.073	28%	0.28	C	S	.	.			trans	-96.7	114.3	179.8	-61.2	178.2	0	0	0	110	F829 A830 A839 L843	F829-L834 HydrophobicContact CE1-CD1 4.45Å; F829-L834 HydrophobicContact CE1-CG 4.36Å; A830-L834 HydrophobicContact CB-CD1 4.07Å; A830-L834 WeakPolarHBondContact O-CA 3.16Å; A830-L834 WeakPolarHBondContact O-CB 3.27Å; A830-L834 PolarHBondContact O-N 3.3Å; L834-A839 HydrophobicContact CB-CB 4.33Å; L834-A839 HydrophobicContact CD1-CB 4.25Å; L834-A839 HydrophobicContact CD2-CB 4.32Å; L834-L843 HydrophobicContact CD1-CB 4.43Å; L834-L843 HydrophobicContact CD1-CD2 3.92Å
835	P	65.5	Low	77.8	Confident	63 Å²	63	52.1 Å²	52.1	41%	0.409	27%	0.272	S	S	.	.			trans	-77.4	-21	-178.7	34.6	-41.4	0	0	0	114	R630 F833	R630-P835 HydrophobicContact CB-CG 4.2Å; R630-P835 HydrophobicContact CG-CB 3.83Å; R630-P835 HydrophobicContact CG-CG 3.65Å; F833-P835 WeakPolarHBondContact O-CD 3.37Å
836	D	67.8	Low	77.7	Confident	57 Å²	57	51.6 Å²	51.6	31%	0.305	27%	0.271	S	S	.	.			trans	-103.5	131.8	-173.3	-169.4	-7.3	0	0	0	110.6	E838 A839 A840	D836-E838 PolarHBondContact O-N 2.96Å; D836-E838 PolarHBondContact OD1-N 3.32Å; D836-A839 HydrophobicContact CB-CB 4.2Å; D836-A839 PolarHBondContact O-N 3Å; D836-A839 VanDerWaalsContact O-N 3.15Å; D836-A840 PolarHBondContact O-N 3.27Å; D836-A840 VanDerWaalsContact O-N 3.13Å
837	A	67.1	Low	77.7	Confident	79 Å²	79	51.3 Å²	51.3	65%	0.653	27%	0.27	S	S	*	.	H	α-helix	trans	-60.9	-30.9	175.3	0	0	0	0	0	111.9	E841	A837-E841 VanDerWaalsContact O-CB 3.24Å; A837-E841 WeakPolarHBondContact O-CB 3.43Å; A837-E841 PolarHBondContact O-N 3.38Å
838	E	69	Low	77.6	Confident	28 Å²	28	52 Å²	52	13%	0.131	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-39.1	175.6	-172.6	178.4	155.7	0	0	111.7	S637 K783 D836 E841 A842	S637-E838 WeakPolarHBondContact CB-OE1 3.46Å; S637-E838 PolarHBondContact OG-OE1 3.49Å; K783-E838 IonicContact NZ-OE1 3.82Å; D836-E838 PolarHBondContact O-N 2.96Å; D836-E838 PolarHBondContact OD1-N 3.32Å; E838-E841 PolarHBondContact O-N 3.47Å; E838-A842 WeakPolarHBondContact O-CB 3.46Å; E838-A842 PolarHBondContact O-N 2.98Å
839	A	71.3	Confident	77.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-44.7	178.3	0	0	0	0	0	111.7	W779 L834 D836 A842 L843	W779-A839 HydrophobicContact CH2-CB 3.29Å; W779-A839 HydrophobicContact CZ2-CB 3.55Å; W779-A839 HydrophobicContact CZ3-CB 4.05Å; L834-A839 HydrophobicContact CB-CB 4.33Å; L834-A839 HydrophobicContact CD1-CB 4.25Å; L834-A839 HydrophobicContact CD2-CB 4.32Å; D836-A839 HydrophobicContact CB-CB 4.2Å; D836-A839 PolarHBondContact O-N 3Å; D836-A839 VanDerWaalsContact O-N 3.15Å; A839-A842 PolarHBondContact O-N 3.13Å; A839-L843 PolarHBondContact O-N 2.95Å; A839-L843 VanDerWaalsContact O-N 3.1Å
840	A	77.8	Confident	77.5	Confident	24 Å²	24	50.7 Å²	50.7	20%	0.198	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-42.3	174.6	0	0	0	0	0	111.8	A830 D836 L843 G844	A830-A840 HydrophobicContact CB-CB 3.94Å; D836-A840 PolarHBondContact O-N 3.27Å; D836-A840 VanDerWaalsContact O-N 3.13Å; A840-L843 PolarHBondContact O-N 2.95Å; A840-G844 PolarHBondContact O-N 3.44Å
841	E	76.8	Confident	77.4	Confident	74 Å²	74	50.5 Å²	50.5	35%	0.346	26%	0.259	S	S	.	.	H	α-helix	trans	-65.8	-42.8	178	-176.8	173.8	-151.7	0	0	112.2	A837 E838 G844 R845	A837-E841 VanDerWaalsContact O-CB 3.24Å; A837-E841 WeakPolarHBondContact O-CB 3.43Å; A837-E841 PolarHBondContact O-N 3.38Å; E838-E841 PolarHBondContact O-N 3.47Å; E841-G844 PolarHBondContact O-N 3.39Å; E841-R845 HydrophobicContact CG-CG 4.37Å; E841-R845 WeakPolarHBondContact O-CB 3.47Å; E841-R845 VanDerWaalsContact O-CG 3.28Å; E841-R845 WeakPolarHBondContact O-CG 3.32Å; E841-R845 PolarHBondContact O-N 3.48Å; E841-R845 IonicContact OE1-CZ 3.29Å; E841-R845 IonicContact OE1-NE 3.5Å; E841-R845 PolarHBondContact OE1-NE 3.37Å; E841-R845 IonicContact OE1-NH2 2.8Å; E841-R845 PolarHBondContact OE1-NH2 3.31Å; E841-R845 IonicContact OE2-NH2 2.87Å
842	A	76.9	Confident	77.4	Confident	13 Å²	13	46.8 Å²	46.8	11%	0.107	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-47.1	177.1	0	0	0	0	0	111.5	E838 A839 R845 T846	E838-A842 WeakPolarHBondContact O-CB 3.46Å; E838-A842 PolarHBondContact O-N 2.98Å; A839-A842 PolarHBondContact O-N 3.13Å; A842-R845 PolarHBondContact O-N 3.32Å; A842-T846 PolarHBondContact O-N 3.29Å; A842-T846 VanDerWaalsContact O-N 3.08Å; A842-T846 PolarHBondContact O-OG1 2.67Å
843	L	83.1	Confident	77.3	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-46.4	177.5	-176.9	66.7	0	0	0	111.9	L786 T790 E826 F829 L834 A839 A840 T846 C847	L786-L843 HydrophobicContact CD1-CD1 4.47Å; L786-L843 HydrophobicContact CD2-CD1 4.25Å; L786-L843 HydrophobicContact CG-CD1 4.13Å; T790-L843 HydrophobicContact CG2-CD1 3.82Å; T790-L843 WeakPolarHBondContact OG1-CD1 3.35Å; E826-L843 WeakPolarHBondContact OE2-CD2 3.24Å; F829-L843 HydrophobicContact CD1-CD2 3.77Å; F829-L843 HydrophobicContact CE1-CD2 4.09Å; L834-L843 HydrophobicContact CD1-CB 4.43Å; L834-L843 HydrophobicContact CD1-CD2 3.92Å; A839-L843 PolarHBondContact O-N 2.95Å; A839-L843 VanDerWaalsContact O-N 3.1Å; A840-L843 PolarHBondContact O-N 2.95Å; L843-T846 PolarHBondContact O-N 3.2Å; L843-C847 WeakPolarHBondContact O-CB 3.45Å; L843-C847 PolarHBondContact O-N 3.01Å
844	G	80.9	Confident	77.2	Confident	31 Å²	31	42 Å²	42	32%	0.32	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-43.4	179.4	0	0	0	0	0	112.9	A840 E841 C847 W848	A840-G844 PolarHBondContact O-N 3.44Å; E841-G844 PolarHBondContact O-N 3.39Å; G844-C847 PolarHBondContact O-N 2.86Å; G844-W848 WeakPolarHBondContact O-CB 3.24Å; G844-W848 PolarHBondContact O-N 3.19Å
845	R	80.7	Confident	77.2	Confident	132 Å²	132	41.8 Å²	41.8	50%	0.498	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-48.5	174.8	-74.1	177.4	-171.7	-170.7	3.9	111.6	E841 A842 C847 W848 E849	E841-R845 HydrophobicContact CG-CG 4.37Å; E841-R845 WeakPolarHBondContact O-CB 3.47Å; E841-R845 VanDerWaalsContact O-CG 3.28Å; E841-R845 WeakPolarHBondContact O-CG 3.32Å; E841-R845 PolarHBondContact O-N 3.48Å; E841-R845 IonicContact OE1-CZ 3.29Å; E841-R845 IonicContact OE1-NE 3.5Å; E841-R845 PolarHBondContact OE1-NE 3.37Å; E841-R845 IonicContact OE1-NH2 2.8Å; E841-R845 PolarHBondContact OE1-NH2 3.31Å; E841-R845 IonicContact OE2-NH2 2.87Å; A842-R845 PolarHBondContact O-N 3.32Å; R845-C847 VanDerWaalsContact C-N 3.34Å; R845-C847 PolarHBondContact O-N 3.27Å; R845-W848 PolarHBondContact O-N 2.95Å; R845-E849 WeakPolarHBondContact O-CB 3.4Å; R845-E849 WeakPolarHBondContact O-CG 3.5Å; R845-E849 PolarHBondContact O-N 3.46Å
846	T	83.6	Confident	77.7	Confident	20 Å²	20	40.3 Å²	40.3	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-41.1	179.8	-56	0	0	0	0	112.1	C787 Y791 A842 L843 A850	C787-T846 HydrophobicContact CB-CG2 4.09Å; C787-T846 VanDerWaalsContact O-CG2 3.3Å; C787-T846 WeakPolarHBondContact O-CG2 3.38Å; C787-T846 PolarHBondContact SG-OG1 2.97Å; C787-T846 VanDerWaalsContact SG-OG1 3.35Å; Y791-T846 HydrophobicContact CD2-CG2 4.24Å; A842-T846 PolarHBondContact O-N 3.29Å; A842-T846 VanDerWaalsContact O-N 3.08Å; A842-T846 PolarHBondContact O-OG1 2.67Å; L843-T846 PolarHBondContact O-N 3.2Å; T846-A850 WeakPolarHBondContact O-CB 3.27Å; T846-A850 PolarHBondContact O-N 3.45Å
847	C	84.6	Confident	77.9	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-45.5	175.4	-176.5	0	0	0	0	111.5	T790 Y794 E826 L843 G844 R845 A850 L851	T790-C847 HydrophobicContact CG2-CB 4.39Å; Y794-C847 HydrophobicContact CD2-CB 4.47Å; E826-C847 HydrophobicContact CG-CB 4.39Å; L843-C847 WeakPolarHBondContact O-CB 3.45Å; L843-C847 PolarHBondContact O-N 3.01Å; G844-C847 PolarHBondContact O-N 2.86Å; R845-C847 VanDerWaalsContact C-N 3.34Å; R845-C847 PolarHBondContact O-N 3.27Å; C847-A850 PolarHBondContact O-N 3.36Å; C847-L851 WeakPolarHBondContact O-CB 3.16Å; C847-L851 WeakPolarHBondContact O-CG 3.4Å; C847-L851 PolarHBondContact O-N 2.94Å; C847-L851 VanDerWaalsContact O-N 3.1Å
848	W	80	Confident	78.1	Confident	113 Å²	113	40.8 Å²	40.8	43%	0.428	21%	0.212	S	C	.	.	H	α-helix	trans	-61.2	-49.2	177.5	-176.6	-91.2	0	0	0	112.2	L823 G844 R845 A850 L851 I852	L823-W848 HydrophobicContact CD1-CE3 3.86Å; L823-W848 HydrophobicContact CD1-CZ3 3.69Å; L823-W848 HydrophobicContact CD2-CE3 4.1Å; G844-W848 WeakPolarHBondContact O-CB 3.24Å; G844-W848 PolarHBondContact O-N 3.19Å; R845-W848 PolarHBondContact O-N 2.95Å; W848-A850 PolarHBondContact O-N 2.92Å; W848-L851 PolarHBondContact O-N 2.94Å; W848-I852 HydrophobicContact CD2-CG1 3.68Å; W848-I852 HydrophobicContact CE3-CG1 4.04Å; W848-I852 HydrophobicContact CG-CG1 4.11Å; W848-I852 HydrophobicContact CH2-CD1 4.18Å; W848-I852 HydrophobicContact CH2-CG1 4.19Å; W848-I852 HydrophobicContact CZ2-CD1 4.21Å; W848-I852 HydrophobicContact CZ2-CG1 3.85Å; W848-I852 HydrophobicContact CZ3-CD1 4.36Å; W848-I852 HydrophobicContact CZ3-CG1 4.28Å; W848-I852 VanDerWaalsContact O-CB 3.24Å; W848-I852 WeakPolarHBondContact O-CB 3.46Å; W848-I852 WeakPolarHBondContact O-CG1 3.34Å; W848-I852 PolarHBondContact O-N 3.08Å
849	E	81.7	Confident	78.1	Confident	108 Å²	108	42.1 Å²	42.1	51%	0.505	22%	0.219	S	C	.	.	H	α-helix	trans	-61.3	-44.2	178.6	-73.7	169.7	-177.5	0	0	111.8	R845 L851 S853	R845-E849 WeakPolarHBondContact O-CB 3.4Å; R845-E849 WeakPolarHBondContact O-CG 3.5Å; R845-E849 PolarHBondContact O-N 3.46Å; E849-L851 VanDerWaalsContact C-N 3.3Å; E849-L851 PolarHBondContact O-N 3.48Å; E849-S853 VanDerWaalsContact O-CB 3.22Å; E849-S853 WeakPolarHBondContact O-CB 3.47Å; E849-S853 PolarHBondContact O-N 3.03Å
850	A	84.4	Confident	77.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-32.5	179.9	0	0	0	0	0	113.5	Y791 S795 T846 C847 W848 P854	Y791-A850 HydrophobicContact CD2-CB 3.63Å; Y791-A850 HydrophobicContact CE2-CB 4.05Å; Y791-A850 HydrophobicContact CG-CB 4.14Å; S795-A850 WeakPolarHBondContact CA-O 3.35Å; S795-A850 PolarHBondContact OG-O 3.43Å; T846-A850 WeakPolarHBondContact O-CB 3.27Å; T846-A850 PolarHBondContact O-N 3.45Å; C847-A850 PolarHBondContact O-N 3.36Å; W848-A850 PolarHBondContact O-N 2.92Å; A850-P854 WeakPolarHBondContact O-CD 3.36Å; A850-P854 WeakPolarHBondContact O-CG 3.29Å
851	L	81.3	Confident	76.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-89.2	-49.9	-179.4	-71.9	172.5	0	0	0	112.7	Y794 A798 W801 L819 A822 L823 C847 W848 E849 P854 I855	Y794-L851 HydrophobicContact CD1-CD1 4.01Å; Y794-L851 HydrophobicContact CD1-CD2 3.8Å; Y794-L851 HydrophobicContact CD1-CG 4.13Å; Y794-L851 HydrophobicContact CG-CD1 4.29Å; Y794-L851 HydrophobicContact CG-CD2 4.17Å; Y794-L851 HydrophobicContact CG-CG 4.17Å; A798-L851 HydrophobicContact CB-CD2 4.18Å; W801-L851 HydrophobicContact CE3-CD2 4.45Å; W801-L851 HydrophobicContact CH2-CD2 4.21Å; W801-L851 HydrophobicContact CZ3-CD2 3.69Å; L819-L851 HydrophobicContact CD1-CB 3.8Å; L819-L851 HydrophobicContact CD1-CD1 3.92Å; L819-L851 HydrophobicContact CD1-CG 4.34Å; A822-L851 HydrophobicContact CB-CD1 4.08Å; L823-L851 HydrophobicContact CD2-CD1 4.27Å; C847-L851 WeakPolarHBondContact O-CB 3.16Å; C847-L851 WeakPolarHBondContact O-CG 3.4Å; C847-L851 PolarHBondContact O-N 2.94Å; C847-L851 VanDerWaalsContact O-N 3.1Å; W848-L851 PolarHBondContact O-N 2.94Å; E849-L851 VanDerWaalsContact C-N 3.3Å; E849-L851 PolarHBondContact O-N 3.48Å; L851-P854 WeakPolarHBondContact O-CD 3.47Å; L851-I855 WeakPolarHBondContact O-CB 3.39Å; L851-I855 WeakPolarHBondContact O-CD1 3.43Å; L851-I855 WeakPolarHBondContact O-CG1 3.36Å; L851-I855 PolarHBondContact O-N 2.96Å
852	I	79.2	Confident	75.4	Confident	34 Å²	34	52.4 Å²	52.4	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-78.5	-39.5	-168.8	-63.3	-64.3	0	0	0	111.9	L819 W848 I855 V856	L819-I852 HydrophobicContact CD1-CD1 3.95Å; L819-I852 HydrophobicContact CD2-CD1 3.75Å; L819-I852 HydrophobicContact CG-CD1 4.47Å; W848-I852 HydrophobicContact CD2-CG1 3.68Å; W848-I852 HydrophobicContact CE3-CG1 4.04Å; W848-I852 HydrophobicContact CG-CG1 4.11Å; W848-I852 HydrophobicContact CH2-CD1 4.18Å; W848-I852 HydrophobicContact CH2-CG1 4.19Å; W848-I852 HydrophobicContact CZ2-CD1 4.21Å; W848-I852 HydrophobicContact CZ2-CG1 3.85Å; W848-I852 HydrophobicContact CZ3-CD1 4.36Å; W848-I852 HydrophobicContact CZ3-CG1 4.28Å; W848-I852 VanDerWaalsContact O-CB 3.24Å; W848-I852 WeakPolarHBondContact O-CB 3.46Å; W848-I852 WeakPolarHBondContact O-CG1 3.34Å; W848-I852 PolarHBondContact O-N 3.08Å; I852-I855 PolarHBondContact O-N 3.44Å; I852-V856 HydrophobicContact CG2-CG2 3.67Å; I852-V856 WeakPolarHBondContact O-CB 3.25Å; I852-V856 VanDerWaalsContact O-CG2 3.27Å; I852-V856 WeakPolarHBondContact O-CG2 3.4Å; I852-V856 PolarHBondContact O-N 3.35Å
853	S	77.2	Confident	75.4	Confident	66 Å²	66	54.4 Å²	54.4	46%	0.462	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-48.2	-177.3	-174	0	0	0	0	112.2	E849 H857	E849-S853 VanDerWaalsContact O-CB 3.22Å; E849-S853 WeakPolarHBondContact O-CB 3.47Å; E849-S853 PolarHBondContact O-N 3.03Å; S853-H857 WeakPolarHBondContact O-CB 3.27Å; S853-H857 PolarHBondContact O-N 2.96Å; S853-H857 VanDerWaalsContact O-N 3.09Å
854	P	76.3	Confident	75	Confident	21 Å²	21	57.1 Å²	57.1	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-38	176.6	-19.1	33	0	0	0	113.5	A798 A850 L851 S858	A798-P854 HydrophobicContact CB-CB 4.09Å; A798-P854 HydrophobicContact CB-CG 4.13Å; A850-P854 WeakPolarHBondContact O-CD 3.36Å; A850-P854 WeakPolarHBondContact O-CG 3.29Å; L851-P854 WeakPolarHBondContact O-CD 3.47Å; P854-S858 WeakPolarHBondContact O-CB 3.37Å; P854-S858 PolarHBondContact O-N 3.01Å
855	I	75.9	Confident	74.6	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-48.3	-179.9	-70.9	171.1	0	0	0	111.1	A798 W801 C802 L815 L819 L851 I852 H857 S858 I859	A798-I855 HydrophobicContact CB-CG1 4.31Å; W801-I855 HydrophobicContact CE3-CD1 4.28Å; C802-I855 VanDerWaalsContact SG-CA 3.56Å; L815-I855 HydrophobicContact CD1-CD1 4.07Å; L815-I855 HydrophobicContact CD2-CG2 3.78Å; L819-I855 HydrophobicContact CD1-CD1 4.35Å; L851-I855 WeakPolarHBondContact O-CB 3.39Å; L851-I855 WeakPolarHBondContact O-CD1 3.43Å; L851-I855 WeakPolarHBondContact O-CG1 3.36Å; L851-I855 PolarHBondContact O-N 2.96Å; I852-I855 PolarHBondContact O-N 3.44Å; I855-H857 VanDerWaalsContact C-N 3.35Å; I855-H857 PolarHBondContact O-N 3.47Å; I855-S858 PolarHBondContact O-N 3.22Å; I855-I859 HydrophobicContact CG2-CD1 3.59Å; I855-I859 HydrophobicContact CG2-CG1 4.46Å; I855-I859 WeakPolarHBondContact O-CB 3.44Å; I855-I859 VanDerWaalsContact O-CG1 3.27Å; I855-I859 WeakPolarHBondContact O-CG1 3.31Å; I855-I859 PolarHBondContact O-N 3.43Å
856	V	75.6	Confident	74.3	Confident	32 Å²	32	54.2 Å²	54.2	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-41.6	178.8	174.4	0	0	0	0	110.7	V32 I852 S858 I859 T860	V32-V856 HydrophobicContact CG2-CG1 3.83Å; I852-V856 HydrophobicContact CG2-CG2 3.67Å; I852-V856 WeakPolarHBondContact O-CB 3.25Å; I852-V856 VanDerWaalsContact O-CG2 3.27Å; I852-V856 WeakPolarHBondContact O-CG2 3.4Å; I852-V856 PolarHBondContact O-N 3.35Å; V856-S858 PolarHBondContact O-N 3.25Å; V856-I859 PolarHBondContact O-N 2.93Å; V856-T860 HydrophobicContact CG1-CG2 4.1Å; V856-T860 WeakPolarHBondContact O-CB 3.38Å; V856-T860 VanDerWaalsContact O-CG2 3.31Å; V856-T860 WeakPolarHBondContact O-CG2 3.37Å; V856-T860 PolarHBondContact O-N 3.46Å; V856-T860 PolarHBondContact O-OG1 2.79Å
857	H	72.9	Confident	73.7	Confident	118 Å²	118	56.4 Å²	56.4	55%	0.546	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-44.6	175.9	-168.7	65.6	0	0	0	112	S853 I855 T860 L861	S853-H857 WeakPolarHBondContact O-CB 3.27Å; S853-H857 PolarHBondContact O-N 2.96Å; S853-H857 VanDerWaalsContact O-N 3.09Å; I855-H857 VanDerWaalsContact C-N 3.35Å; I855-H857 PolarHBondContact O-N 3.47Å; H857-T860 PolarHBondContact O-N 3.37Å; H857-T860 PolarHBondContact O-OG1 3.28Å; H857-L861 VanDerWaalsContact CE1-CD1 3.4Å; H857-L861 WeakPolarHBondContact CE1-CD1 3.34Å; H857-L861 WeakPolarHBondContact NE2-CD1 3.46Å; H857-L861 WeakPolarHBondContact O-CB 3.42Å; H857-L861 WeakPolarHBondContact O-CG 3.45Å; H857-L861 PolarHBondContact O-N 3.02Å
858	S	70.6	Confident	73	Confident	29 Å²	29	60.1 Å²	60.1	20%	0.203	33%	0.326	C	S	.	.	H	α-helix	trans	-64.8	-40.3	177.5	-170.2	0	0	0	0	113.3	P854 I855 V856 S862	P854-S858 WeakPolarHBondContact O-CB 3.37Å; P854-S858 PolarHBondContact O-N 3.01Å; I855-S858 PolarHBondContact O-N 3.22Å; V856-S858 PolarHBondContact O-N 3.25Å; S858-S862 WeakPolarHBondContact O-CB 3.37Å; S858-S862 PolarHBondContact O-N 3.45Å; S858-S862 PolarHBondContact O-OG 3.47Å
859	I	68.4	Low	72.5	Confident	55 Å²	55	56.3 Å²	56.3	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-75.5	-29.3	-178.6	-66.5	169.3	0	0	0	111.7	L815 I855 V856 S862	L815-I859 HydrophobicContact CD2-CD1 4.3Å; I855-I859 HydrophobicContact CG2-CD1 3.59Å; I855-I859 HydrophobicContact CG2-CG1 4.46Å; I855-I859 WeakPolarHBondContact O-CB 3.44Å; I855-I859 VanDerWaalsContact O-CG1 3.27Å; I855-I859 WeakPolarHBondContact O-CG1 3.31Å; I855-I859 PolarHBondContact O-N 3.43Å; V856-I859 PolarHBondContact O-N 2.93Å; I859-S862 PolarHBondContact O-OG 3.49Å; I859-S862 VanDerWaalsContact O-OG 3.08Å
860	T	67.5	Low	71.7	Confident	72 Å²	72	52.3 Å²	52.3	44%	0.442	31%	0.305	S	S	.	.	H	α-helix	trans	-83.3	-21	179.9	49	0	0	0	0	113.9	V36 V856 H857	V36-T860 HydrophobicContact CG1-CG2 4.49Å; V856-T860 HydrophobicContact CG1-CG2 4.1Å; V856-T860 WeakPolarHBondContact O-CB 3.38Å; V856-T860 VanDerWaalsContact O-CG2 3.31Å; V856-T860 WeakPolarHBondContact O-CG2 3.37Å; V856-T860 PolarHBondContact O-N 3.46Å; V856-T860 PolarHBondContact O-OG1 2.79Å; H857-T860 PolarHBondContact O-N 3.37Å; H857-T860 PolarHBondContact O-OG1 3.28Å
861	L	56.2	Low	70.7	Confident	129 Å²	129	56.7 Å²	56.7	68%	0.675	33%	0.33	S	S	*	.	H	α-helix	trans	-91	-19.1	174.8	-75.6	169.3	0	0	0	113.5	H857	H857-L861 VanDerWaalsContact CE1-CD1 3.4Å; H857-L861 WeakPolarHBondContact CE1-CD1 3.34Å; H857-L861 WeakPolarHBondContact NE2-CD1 3.46Å; H857-L861 WeakPolarHBondContact O-CB 3.42Å; H857-L861 WeakPolarHBondContact O-CG 3.45Å; H857-L861 PolarHBondContact O-N 3.02Å
862	S	47.2	Very low	69.7	Low	114 Å²	114	61.8 Å²	61.8	80%	0.797	36%	0.36	S	S	*	.			trans	-85.6	0	173.9	69.2	0	0	0	0	112.5	S858 I859	S858-S862 WeakPolarHBondContact O-CB 3.37Å; S858-S862 PolarHBondContact O-N 3.45Å; S858-S862 PolarHBondContact O-OG 3.47Å; I859-S862 PolarHBondContact O-OG 3.49Å; I859-S862 VanDerWaalsContact O-OG 3.08Å

Retrieved 862 of 862 residues in 1003.4 ms (Link to these results)

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