A0A3Q0KRP7_SCHMA Loading...

Protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KRP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,549 aa.

						>A0A3Q0KRP7_SCHMA|A0A3Q0KRP7
MQSEYLTPLQNDPKDKFVNNNNNNNNKKYATALPTNKRSSCKMNSDSHKPVILNNKPDHINHLEQNNDNTKDLLSPGDLVKDRWRVICKLGGGGFGEIYEAVDTKLKRVQHSSSTSSTSSYYNESQSNLKRYHPEYSLCINCATNSTLNIAVNSPSSGQNDSTVIKLKHDIGSDSGIGGVQAFSSDTQIQHGTRINSAGTTTSASLSSRRLILTCNENNPNKNNQEDGFIHLKSSATNNYPYLHKINPQDFSASNVSTPRDSSQTGNPDKRSMCINCKCEIPQRSIEKFTLNNKHESNGISTDSGISSVNEAYDYRVAIKAESNRQAKQVLRMEVAVLRRLQGKPNICRLFGCGKNAKFNYMVMTLQGKNLSEIRRTLPGAIFTLGTAFRLIKQCITALKSLHDAGFLHRDVKPSNFAIQRGETRDSSLRVEVTLLDFGLARPYTVNGPGTEVRNARQVAGFRGTVRYASINAHAHQDLARRDDLWSLVYMFIEFVSGQLPWRRIRDKELVGQMKMALNHRELAIKSGLPVDIVTAWITHLEQLEYKSVPNYNMLITCLDEWLIQHKIQESDFYDWEIPKVSSLADDTKIQQPGTITLHKADHKAIFSEKLSHKEVRLQQFNNQVNVEDIVGKQHSGREENKVKEDEDDEEEQLNKMNETLKPNTLLQLVRDNQMLKMKSSMNLNNRHSASRCNLMANSRSTVAEINKKICDGKLLKRKNILKNHGSLGADLSSHDGDMENAIIIEGEYSQTRHNKLSTVHNSADCILIDDEHEDDVKGLAETDLGVDTNDKHSLRIYESERNNLNTTKNSFDNSPRNVTTTEEKKAEISLSKSQLPITSNSSLVNVINNIDSCRNVVDHKAEEPVKEYSKLIYAKPIQNNSTGQDLVSGKETGQFIKDSCISRTNLSTKELNQNIQDDKLDVAGQSLFVPTFRRMSSSSVPQTSDCTTNPRAKIHAIIKNLLACRQNKGNDPPKLSESTSQRLPNWSGLVKTPKEFHKFSDTNSSNLDLRVGSDVDKSTCRSNNTSVFDQTSPYYIHFSLGHINAHDNEQYHRFLTVPRKDHISLSTLRLNRTGDSLKFDRSNPNFEAKFIQESKHSTATSSDQILIDNMENTCITHNLNSQSENHHPVPRRKRTLYLNRYHSEQLIQPSQNISIKSLNIPQNNHENLMNLTKSSYQNNLPFELTAENYRQKLIDNKQKHSQQKSMNSTKLVGQSIHPTLETSKNMHQNRRSITNISNNGSTDNLRESENLEKIKQLGLLAKTLDAKLKASNANTASANANYEKSMNQQAFLRSTISGSKINQPSKGQSKCLARTCPEISYDPEISKSLVQYDNRPKRLVGRDSTMNTNRSISQMVQQNCQQASLKSPNLHSAEKLIIRRNDDIKEKQNIQSVNYSYSPLKLATSLLTSMPSNNVCCKSIYCQQSMEKSRRRRLNSIHIIPSELHHSQQKNEQLTVSTFDNSSNNNSGGGSSCVSKINLRTLRSQSADRVIKPRTSCKTTVLQPCHLLQPALSNTSITRSKPKRTLGITVSDSQKTSRINSLTSAKRL
					

Structure Viewer

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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	23.6	Very low	29.2	Very low	242 Å²	242	161.6 Å²	161.6	100%	1.192	83%	0.834	S	S	*	*				0	160.1	0	-66.2	-46.3	-160.5	0	0	109.2
2	Q	28.4	Very low	29.3	Very low	181 Å²	181	156.3 Å²	156.3	85%	0.846	81%	0.808	S	S	*	*			trans	-100.8	165.4	176.3	-66.3	162.4	-94.2	0	0	110.3	E4	Q2-E4 PolarHBondContact O-N 3.18Å
3	S	27.3	Very low	29.7	Very low	110 Å²	110	155 Å²	155	77%	0.769	82%	0.816	S	S	*	*			trans	18.2	93.1	149.7	58.4	0	0	0	0	119.6
4	E	33.3	Very low	29.7	Very low	170 Å²	170	153.7 Å²	153.7	79%	0.794	80%	0.8	S	S	*	*			trans	-162.8	139.4	136.9	-74.5	-150.5	137	0	0	105.8	Q2	Q2-E4 PolarHBondContact O-N 3.18Å
5	Y	31.4	Very low	29.9	Very low	192 Å²	192	150.8 Å²	150.8	75%	0.753	79%	0.786	S	S	*	*			cis	-153.3	174.4	-13.2	-129.2	-72.8	0	0	0	108.4
6	L	27.7	Very low	30.1	Very low	155 Å²	155	150.8 Å²	150.8	81%	0.812	78%	0.778	S	S	*	*			trans	67.4	94.5	162.4	-63.9	165.5	0	0	0	118.9
7	T	30.4	Very low	30	Very low	139 Å²	139	152.5 Å²	152.5	85%	0.853	78%	0.778	S	S	*	*			trans	-114.7	118.6	146.3	49.6	0	0	0	0	109.2
8	P	32.6	Very low	30	Very low	123 Å²	123	151 Å²	151	80%	0.799	78%	0.777	S	S	*	*			trans	-87	122.8	178.8	32.6	-31.6	0	0	0	111.5
9	L	29.2	Very low	29.9	Very low	181 Å²	181	150.5 Å²	150.5	95%	0.948	78%	0.776	S	S	*	*			trans	-145.8	118.7	151.7	-108.6	172.1	0	0	0	107.7
10	Q	28.5	Very low	30	Very low	165 Å²	165	148.8 Å²	148.8	77%	0.771	77%	0.768	S	S	*	*			trans	-110.8	155.1	-167.8	-138.8	-179.2	-18.7	0	0	110.1
11	N	29.3	Very low	30	Very low	120 Å²	120	147.2 Å²	147.2	64%	0.642	76%	0.762	S	S	*	*			trans	72	104.7	164	-49.8	-22.8	0	0	0	117
12	D	29.5	Very low	30.4	Very low	98 Å²	98	142 Å²	142	52%	0.524	74%	0.739	S	S	.	*				43.8	143.2	104.9	-58.4	-33.5	0	0	0	119.3	K14	D12-K14 HydrophobicContact CB-CG 4.16Å; D12-K14 IonicContact OD1-NZ 2.67Å; D12-K14 PolarHBondContact OD1-NZ 3.3Å; D12-K14 IonicContact OD2-NZ 2.65Å; D12-K14 PolarHBondContact OD2-NZ 2.85Å
13	P	34.4	Very low	30.6	Very low	139 Å²	139	139.8 Å²	139.8	90%	0.903	73%	0.732	S	S	*	*				-115.8	128.1	97	32.5	-34.1	0	0	0	112.7
14	K	30.7	Very low	30.9	Very low	137 Å²	137	140.8 Å²	140.8	60%	0.596	73%	0.729	S	S	*	*			trans	-99.3	162.3	173.8	-75.8	-179.9	171.2	65.9	0	111.2	D12	D12-K14 HydrophobicContact CB-CG 4.16Å; D12-K14 IonicContact OD1-NZ 2.67Å; D12-K14 PolarHBondContact OD1-NZ 3.3Å; D12-K14 IonicContact OD2-NZ 2.65Å; D12-K14 PolarHBondContact OD2-NZ 2.85Å
15	D	32	Very low	30.9	Very low	110 Å²	110	139 Å²	139	59%	0.588	73%	0.725	S	S	*	*			trans	68.7	115.6	133.9	-81.9	-10.8	0	0	0	121.6
16	K	32.9	Very low	31	Very low	150 Å²	150	135.1 Å²	135.1	65%	0.652	72%	0.717	S	S	*	*				106.5	139.1	109.5	-83	170.3	-173.4	144.3	0	120.8
17	F	29.5	Very low	31.2	Very low	181 Å²	181	135.5 Å²	135.5	79%	0.794	71%	0.712	S	S	*	*			trans	45.6	119.5	149.4	-63.7	-57.2	0	0	0	120.5
18	V	30.1	Very low	31.2	Very low	125 Å²	125	135.9 Å²	135.9	76%	0.758	70%	0.702	S	S	*	*			trans	-114.5	103.2	134.1	-179.5	0	0	0	0	107.9
19	N	28.3	Very low	31.1	Very low	142 Å²	142	138.9 Å²	138.9	76%	0.759	70%	0.699	S	S	*	*				-87.6	148.8	123.3	-168.6	10.4	0	0	0	107.6
20	N	30.6	Very low	31.1	Very low	115 Å²	115	134.3 Å²	134.3	62%	0.615	69%	0.687	S	S	*	*	S	Bend	trans	59.9	97.1	-175.4	-72.1	-15.2	0	0	0	119.3
21	N	30.9	Very low	31.1	Very low	117 Å²	117	133.1 Å²	133.1	63%	0.626	69%	0.691	S	S	*	*				76.7	108.1	120.1	-57.2	-20.2	0	0	0	121.9
22	N	32.2	Very low	31.3	Very low	133 Å²	133	131.9 Å²	131.9	71%	0.711	70%	0.698	S	S	*	*				60.2	112.1	120	-61.9	-12.8	0	0	0	121.5
23	N	32.5	Very low	31.1	Very low	133 Å²	133	135 Å²	135	71%	0.711	71%	0.714	S	S	*	*				61.9	114.1	126.3	-64.5	-13.3	0	0	0	121.5
24	N	33.1	Very low	31.3	Very low	131 Å²	131	133.3 Å²	133.3	70%	0.701	70%	0.703	S	S	*	*				79.2	120.5	128.2	-66.9	-18.1	0	0	0	121.7
25	N	33.1	Very low	31.5	Very low	132 Å²	132	132.8 Å²	132.8	71%	0.706	71%	0.711	S	S	*	*			trans	86	120.2	131	-72.7	-25.3	0	0	0	122.6
26	N	32.5	Very low	31.4	Very low	111 Å²	111	133.2 Å²	133.2	59%	0.594	71%	0.713	S	S	*	*			trans	77.4	110.2	136.3	-75.7	-56.3	0	0	0	122.3
27	K	32.8	Very low	31.4	Very low	164 Å²	164	134.7 Å²	134.7	71%	0.713	72%	0.72	S	S	*	*				77.2	119.8	120.6	-70.6	169.5	-177.8	151.3	0	122.2
28	K	31.3	Very low	31.4	Very low	147 Å²	147	137 Å²	137	64%	0.639	72%	0.723	S	S	*	*				104.6	137	116.2	-86.6	176.9	163.1	-150.6	0	122.1
29	Y	29.1	Very low	31.4	Very low	185 Å²	185	134.9 Å²	134.9	73%	0.725	71%	0.714	S	S	*	*			trans	69.3	126.7	157.3	-58.9	-47	0	0	0	117.7
30	A	29.8	Very low	31.4	Very low	85 Å²	85	134 Å²	134	70%	0.702	72%	0.719	S	S	*	*				80	145.4	66	0	0	0	0	0	112.5
31	T	29.2	Very low	31	Very low	140 Å²	140	134.5 Å²	134.5	86%	0.859	73%	0.73	S	S	*	*			cis	-152	162.1	21	-26	0	0	0	0	109.2
32	A	32.5	Very low	30.9	Very low	95 Å²	95	138.6 Å²	138.6	79%	0.785	74%	0.742	S	S	*	*				175.3	171.8	92.3	0	0	0	0	0	113.2
33	L	25.8	Very low	30.6	Very low	164 Å²	164	139.6 Å²	139.6	86%	0.859	75%	0.745	S	S	*	*			trans	-116.9	-178.1	178.6	-99	163	0	0	0	108.9
34	P	39.2	Very low	30.2	Very low	102 Å²	102	140 Å²	140	66%	0.662	75%	0.747	S	S	*	*			cis	-154.8	-179.2	34.6	43	-19.5	0	0	0	120.9
35	T	33.3	Very low	29.8	Very low	126 Å²	126	138.3 Å²	138.3	77%	0.773	75%	0.746	S	S	*	*			trans	73.5	148.8	167.6	77.4	0	0	0	0	116.8
36	N	31.2	Very low	29.6	Very low	119 Å²	119	139.6 Å²	139.6	64%	0.636	75%	0.753	S	S	*	*			cis	-154.2	117.7	15.4	-157	-7	0	0	0	113.3
37	K	32.9	Very low	29.4	Very low	181 Å²	181	138.8 Å²	138.8	79%	0.787	76%	0.755	S	S	*	*			trans	58.6	170.9	158.7	-67.8	164.2	-168	174.3	0	118.7
38	R	28.9	Very low	29.4	Very low	229 Å²	229	140.2 Å²	140.2	86%	0.864	76%	0.764	S	S	*	*			cis	-168.4	160.4	-44.7	-103.7	-161.3	175.5	-169.1	-0.5	107.3
39	S	29.3	Very low	29.2	Very low	82 Å²	82	141 Å²	141	57%	0.573	77%	0.768	S	S	*	*			cis	-178.7	132.4	-34.3	50.9	0	0	0	0	111.8
40	S	29.4	Very low	29.2	Very low	124 Å²	124	137.9 Å²	137.9	87%	0.867	77%	0.77	S	S	*	*			trans	68.5	153.4	161	71.5	0	0	0	0	121
41	C	23.1	Very low	29	Very low	125 Å²	125	139.7 Å²	139.7	85%	0.845	77%	0.772	S	S	*	*			trans	-98.5	147.7	178.5	-44.3	0	0	0	0	112.3
42	K	28.2	Very low	28.8	Very low	202 Å²	202	138 Å²	138	88%	0.878	76%	0.757	S	S	*	*			trans	-168.4	140.9	154.2	-112.8	170.4	-177.1	-179.5	0	114.5
43	M	26.3	Very low	28.6	Very low	155 Å²	155	139.8 Å²	139.8	76%	0.764	75%	0.752	S	S	*	*			trans	35.5	117	148.5	-60.4	-57.5	-178.5	0	0	123.1
44	N	23.5	Very low	28.5	Very low	140 Å²	140	138 Å²	138	75%	0.749	74%	0.744	S	S	*	*				62.1	135.7	124.7	-69	5.1	0	0	0	125.3
45	S	25.6	Very low	27.9	Very low	97 Å²	97	138.3 Å²	138.3	68%	0.678	74%	0.74	S	S	*	*			trans	74.9	130.2	139.1	50.9	0	0	0	0	121.7
46	D	27.9	Very low	27.7	Very low	159 Å²	159	141.3 Å²	141.3	85%	0.85	74%	0.742	S	S	*	*			trans	66.4	139.9	152.3	-60.5	-27.4	0	0	0	119.5
47	S	28.5	Very low	27.5	Very low	93 Å²	93	140.3 Å²	140.3	65%	0.65	74%	0.742	S	S	*	*			cis	-163.3	136.5	-13.7	53	0	0	0	0	111.1
48	H	32	Very low	27.3	Very low	195 Å²	195	138.4 Å²	138.4	90%	0.903	74%	0.741	S	S	*	*			trans	-171	143.6	135.2	-105.1	-74.4	0	0	0	111.7
49	K	28.2	Very low	27.1	Very low	163 Å²	163	136.3 Å²	136.3	71%	0.709	74%	0.74	S	S	*	*			trans	-106.5	167.6	176.5	-92	173.2	-175.1	169.2	0	109.1
50	P	29	Very low	26.9	Very low	120 Å²	120	139.8 Å²	139.8	78%	0.779	75%	0.751	S	S	*	*			cis	-128.3	178.9	28.9	41.9	-24.4	0	0	0	114.1
51	V	25.5	Very low	26.7	Very low	122 Å²	122	139.8 Å²	139.8	74%	0.739	74%	0.741	S	S	*	*			cis	-131.8	147	21.5	174.5	0	0	0	0	111.9
52	I	25.2	Very low	27	Very low	106 Å²	106	142.4 Å²	142.4	54%	0.544	74%	0.741	S	S	.	*			trans	-116.5	123.1	164.1	-65.8	178.5	0	0	0	109.8	N54	I52-N54 HydrophobicContact CG2-CB 4.43Å
53	L	27	Very low	27	Very low	132 Å²	132	138.6 Å²	138.6	69%	0.691	73%	0.729	S	S	*	*			trans	-131.1	113.8	145.3	-77.4	172.4	0	0	0	104.3
54	N	24.5	Very low	27.2	Very low	127 Å²	127	139.2 Å²	139.2	68%	0.679	73%	0.73	S	S	*	*				44.1	91.4	57.2	-86.3	7.7	0	0	0	112.7	I52	I52-N54 HydrophobicContact CG2-CB 4.43Å
55	N	27.4	Very low	27.4	Very low	108 Å²	108	140.2 Å²	140.2	58%	0.578	73%	0.73	S	S	*	*				-165.7	111.6	126.2	-97.5	-4.1	0	0	0	111.2	E1428	N55-E1428 PolarHBondContact ND2-OE1 3.27Å
56	K	27.8	Very low	27.7	Very low	188 Å²	188	139.3 Å²	139.3	82%	0.817	72%	0.718	S	S	*	*				-76	143.9	125.1	-77.3	-176.1	175.4	-179	0	106.5
57	P	28.2	Very low	27.7	Very low	99 Å²	99	138.7 Å²	138.7	64%	0.643	71%	0.714	S	S	*	*				-116.7	131.6	112.1	-6.3	26.4	0	0	0	109
58	D	27.3	Very low	28.2	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	71%	0.711	S	S	*	*				85	127.6	69.7	-66.6	-28	0	0	0	112.4
59	H	25.3	Very low	28.3	Very low	185 Å²	185	134.8 Å²	134.8	86%	0.856	69%	0.693	S	S	*	*			trans	-63.3	134.7	161.8	-70.8	-97.2	0	0	0	109.2
60	I	25.7	Very low	29.7	Very low	154 Å²	154	132 Å²	132	79%	0.79	69%	0.69	S	S	*	*			trans	-176.3	129.2	134.7	-97.8	151.5	0	0	0	110.7
61	N	25	Very low	31.9	Very low	124 Å²	124	135.3 Å²	135.3	66%	0.663	69%	0.692	S	S	*	*			trans	46.1	72.7	154.7	-57.1	-5.3	0	0	0	120.5
62	H	28.1	Very low	34.9	Very low	181 Å²	181	132.6 Å²	132.6	84%	0.838	67%	0.673	S	S	*	*				-117.5	129	112.3	-70.2	-79.4	0	0	0	105.4
63	L	29.3	Very low	38.2	Very low	122 Å²	122	129.8 Å²	129.8	64%	0.639	66%	0.659	S	S	*	*			cis	49.6	58.6	27.4	-86.1	169.2	0	0	0	111.8	Q65	L63-Q65 HydrophobicContact CD2-CG 4.07Å; L63-Q65 PolarHBondContact O-N 2.67Å
64	E	30	Very low	41.4	Very low	168 Å²	168	123.9 Å²	123.9	79%	0.785	63%	0.628	S	S	*	*			trans	-61.6	68.4	145.2	-71.6	-171.1	154.1	0	0	109.6	N66	E64-N66 PolarHBondContact O-N 3.16Å
65	Q	29	Very low	44.8	Very low	161 Å²	161	120.4 Å²	120.4	75%	0.752	61%	0.614	S	S	*	*			trans	-67	88.7	143.8	-78.6	-179.7	-20.5	0	0	105.3	L63 N67	L63-Q65 HydrophobicContact CD2-CG 4.07Å; L63-Q65 PolarHBondContact O-N 2.67Å; Q65-N67 PolarHBondContact O-N 3.46Å; Q65-N67 VanDerWaalsContact O-N 3.14Å
66	N	31.4	Very low	48.1	Very low	78 Å²	78	119.7 Å²	119.7	42%	0.417	62%	0.615	S	S	.	*			trans	-55.9	122.5	-178.7	-87	-0.8	0	0	0	109.7	E64 D68	E64-N66 PolarHBondContact O-N 3.16Å; N66-D68 HydrophobicContact CB-CB 4.02Å; N66-D68 WeakPolarHBondContact CB-OD2 3.5Å; N66-D68 PolarHBondContact ND2-OD2 2.88Å; N66-D68 PolarHBondContact O-N 2.92Å
67	N	28.4	Very low	51.3	Low	145 Å²	145	112.4 Å²	112.4	78%	0.775	59%	0.593	S	S	*	*			trans	-69	61	150.6	-83	-39.6	0	0	0	108.9	Q65 N69	Q65-N67 PolarHBondContact O-N 3.46Å; Q65-N67 VanDerWaalsContact O-N 3.14Å; N67-N69 PolarHBondContact O-N 3.26Å
68	D	38.1	Very low	54.5	Low	108 Å²	108	110.8 Å²	110.8	58%	0.578	58%	0.58	S	S	*	*			trans	-72.3	33.5	165.8	-89.3	-33.4	0	0	0	110	N66 T70 R325	N66-D68 HydrophobicContact CB-CB 4.02Å; N66-D68 WeakPolarHBondContact CB-OD2 3.5Å; N66-D68 PolarHBondContact ND2-OD2 2.88Å; N66-D68 PolarHBondContact O-N 2.92Å; D68-T70 PolarHBondContact O-N 3.02Å; D68-R325 IonicContact OD2-NH1 3.58Å
69	N	34.8	Very low	57.8	Low	98 Å²	98	107.5 Å²	107.5	52%	0.524	56%	0.562	S	S	.	*			trans	-71.8	96.4	174.4	-84.2	-11.1	0	0	0	108.8	N67	N67-N69 PolarHBondContact O-N 3.26Å
70	T	55.9	Low	61.1	Low	106 Å²	106	99.1 Å²	99.1	65%	0.65	52%	0.523	S	S	*	.	S	Bend	trans	55	72.1	165	56	0	0	0	0	115	D68 I745	D68-T70 PolarHBondContact O-N 3.02Å; T70-I745 HydrophobicContact CG2-CD1 3.52Å
71	K	76	Confident	64.4	Low	189 Å²	189	98.2 Å²	98.2	82%	0.822	51%	0.513	S	S	*	.			trans	-119.6	119.3	159.4	-160.4	170	-171.7	173.5	0	109.6
72	D	89.6	Confident	67.6	Low	64 Å²	64	98 Å²	98	34%	0.342	51%	0.512	S	S	.	.			trans	-54	142.7	-177.9	-67.6	-1	0	0	0	112.3	L74 K89	D72-L74 WeakPolarHBondContact CB-O 3.28Å; D72-L74 PolarHBondContact O-N 3.5Å; D72-K89 HydrophobicContact CB-CD 4.48Å; D72-K89 VanDerWaalsContact CG-CD 3.5Å; D72-K89 IonicContact OD1-NZ 3.33Å; D72-K89 PolarHBondContact OD1-NZ 2.78Å; D72-K89 WeakPolarHBondContact OD2-CD 3.47Å; D72-K89 IonicContact OD2-NZ 2.85Å
73	L	93.3	Very high	70.8	Confident	47 Å²	47	90.4 Å²	90.4	25%	0.246	48%	0.476	C	S	.	.	S	Bend	trans	-63.3	-27.8	179.1	-71.6	171.2	0	0	0	113.4	E97 Y99	L73-E97 VanDerWaalsContact CB-OE2 3.27Å; L73-E97 WeakPolarHBondContact CB-OE2 3.44Å; L73-E97 HydrophobicContact CD1-CG 4.39Å; L73-E97 WeakPolarHBondContact CG-OE2 3.27Å; L73-E97 PolarHBondContact N-OE2 3.37Å; L73-Y99 PolarHBondContact N-OH 3.11Å
74	L	95.2	Very high	74	Confident	8 Å²	8	84.9 Å²	84.9	4%	0.042	45%	0.447	C	S	.	.	S	Bend	trans	-135.8	144.7	175.6	-73.2	166.1	0	0	0	109.9	D72 D78 V80 V86 Y99 I319 F359	D72-L74 WeakPolarHBondContact CB-O 3.28Å; D72-L74 PolarHBondContact O-N 3.5Å; L74-D78 WeakPolarHBondContact CA-OD2 3.4Å; L74-D78 HydrophobicContact CD2-CB 3.87Å; L74-V80 HydrophobicContact CD1-CG2 3.77Å; L74-V80 HydrophobicContact CD2-CG2 3.9Å; L74-V86 HydrophobicContact CB-CG2 4.21Å; L74-V86 HydrophobicContact CD1-CG2 4.11Å; L74-Y99 HydrophobicContact CB-CD1 4.34Å; L74-Y99 HydrophobicContact CB-CD2 4.43Å; L74-Y99 HydrophobicContact CB-CE1 3.88Å; L74-Y99 HydrophobicContact CB-CE2 3.97Å; L74-Y99 HydrophobicContact CD1-CD2 4.1Å; L74-Y99 HydrophobicContact CD1-CE2 4.11Å; L74-Y99 HydrophobicContact CG-CE2 4.46Å; L74-Y99 PolarHBondContact N-OH 2.9Å; L74-Y99 VanDerWaalsContact N-OH 3.09Å; L74-Y99 WeakPolarHBondContact O-CE1 3.47Å; L74-Y99 PolarHBondContact O-OH 3.41Å; L74-I319 HydrophobicContact CD1-CG2 4.47Å; L74-F359 HydrophobicContact CD1-CZ 4.14Å; L74-F359 HydrophobicContact CD2-CE1 3.89Å; L74-F359 HydrophobicContact CD2-CZ 3.71Å; L74-F359 HydrophobicContact CG-CE1 4.09Å; L74-F359 HydrophobicContact CG-CZ 4.01Å
75	S	95.1	Very high	77.2	Confident	55 Å²	55	82.4 Å²	82.4	39%	0.385	43%	0.43	S	S	.	.			trans	-109.9	156.2	176.3	-65	0	0	0	0	112	G77 D78 V86	S75-G77 PolarHBondContact O-N 3.49Å; S75-D78 PolarHBondContact N-OD2 3.21Å; S75-D78 VanDerWaalsContact O-CB 3.3Å; S75-D78 WeakPolarHBondContact O-CB 3.49Å; S75-D78 PolarHBondContact O-N 3.19Å; S75-D78 VanDerWaalsContact O-N 3.07Å; S75-V86 WeakPolarHBondContact O-CG1 3.35Å
76	P	96.1	Very high	80.5	Confident	92 Å²	92	74.9 Å²	74.9	60%	0.597	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	129.8	166.7	-30.2	37.8	0	0	0	112.2	I87	P76-I87 WeakPolarHBondContact CB-O 3.28Å
77	G	95.1	Very high	83.6	Confident	35 Å²	35	74.6 Å²	74.6	36%	0.361	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-20.3	-176.8	0	0	0	0	0	115.4	S75 R85 V86	S75-G77 PolarHBondContact O-N 3.49Å; G77-R85 WeakPolarHBondContact O-CG 3.49Å; G77-R85 PolarHBondContact O-NH1 3.03Å; G77-V86 PolarHBondContact N-O 3.24Å
78	D	96.1	Very high	86.8	Confident	66 Å²	66	69.8 Å²	69.8	35%	0.353	37%	0.37	S	S	.	.			trans	-58.2	143.1	-179.9	-82	-19.8	0	0	0	112.2	L74 S75 R85 V86	L74-D78 WeakPolarHBondContact CA-OD2 3.4Å; L74-D78 HydrophobicContact CD2-CB 3.87Å; S75-D78 PolarHBondContact N-OD2 3.21Å; S75-D78 VanDerWaalsContact O-CB 3.3Å; S75-D78 WeakPolarHBondContact O-CB 3.49Å; S75-D78 PolarHBondContact O-N 3.19Å; S75-D78 VanDerWaalsContact O-N 3.07Å; D78-R85 CarbonylContact O-C 3.58Å; D78-R85 VanDerWaalsContact O-CA 3.31Å; D78-R85 WeakPolarHBondContact O-CA 3.5Å; D78-V86 HydrophobicContact CB-CB 4.47Å; D78-V86 HydrophobicContact CB-CG2 4.28Å; D78-V86 PolarHBondContact O-N 2.76Å
79	L	95.6	Very high	89.6	Confident	72 Å²	72	68.2 Å²	68.2	38%	0.377	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	104.1	-177.9	-170.4	66.2	0	0	0	111.2	R85 T104	L79-R85 HydrophobicContact CD1-CB 4.07Å; L79-T104 HydrophobicContact CD1-CG2 4.24Å
80	V	95.6	Very high	92.5	Very high	8 Å²	8	67.6 Å²	67.6	5%	0.048	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.8	176.8	-177.1	0	0	0	0	109.8	L74 D82 R83 W84 V86 I319 Y361	L74-V80 HydrophobicContact CD1-CG2 3.77Å; L74-V80 HydrophobicContact CD2-CG2 3.9Å; V80-D82 VanDerWaalsContact C-N 3.25Å; V80-D82 PolarHBondContact O-N 3.49Å; V80-R83 PolarHBondContact O-N 2.77Å; V80-W84 HydrophobicContact CB-CB 4.45Å; V80-W84 HydrophobicContact CG1-CE3 4.37Å; V80-W84 PolarHBondContact N-O 2.74Å; V80-W84 PolarHBondContact O-N 3.35Å; V80-V86 HydrophobicContact CG2-CG2 4.37Å; V80-I319 HydrophobicContact CB-CD1 4.1Å; V80-I319 HydrophobicContact CG2-CD1 3.81Å; V80-Y361 HydrophobicContact CG1-CD1 4.38Å; V80-Y361 HydrophobicContact CG1-CD2 3.76Å; V80-Y361 HydrophobicContact CG1-CE1 4.32Å; V80-Y361 HydrophobicContact CG1-CE2 3.69Å; V80-Y361 HydrophobicContact CG1-CG 4.13Å
81	K	94	Very high	94.2	Very high	135 Å²	135	64 Å²	64	59%	0.587	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	41.1	175.5	-155.7	-156.6	-175.8	176	0	113.9	R83 W84 Y361	K81-R83 PolarHBondContact O-N 3.11Å; K81-W84 HydrophobicContact CB-CE3 4.31Å; K81-W84 HydrophobicContact CB-CZ3 4.02Å; K81-W84 HydrophobicContact CD-CZ3 4.18Å; K81-Y361 WeakPolarHBondContact CB-OH 3.4Å; K81-Y361 WeakPolarHBondContact CD-OH 3.44Å
82	D	93.2	Very high	94.8	Very high	120 Å²	120	56.8 Å²	56.8	64%	0.642	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	30	176.5	-46.7	-57.2	0	0	0	113.8	V80 K105	V80-D82 VanDerWaalsContact C-N 3.25Å; V80-D82 PolarHBondContact O-N 3.49Å; D82-K105 WeakPolarHBondContact O-CE 3.37Å
83	R	95	Very high	94.4	Very high	21 Å²	21	56.4 Å²	56.4	8%	0.079	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.8	-44.1	-173.8	-178.3	171.8	174	172.2	-3.5	114.6	V80 K81 D103 T104 K105	V80-R83 PolarHBondContact O-N 2.77Å; K81-R83 PolarHBondContact O-N 3.11Å; R83-D103 IonicContact CZ-OD2 3.68Å; R83-D103 IonicContact NE-OD1 2.77Å; R83-D103 PolarHBondContact NE-OD1 3.26Å; R83-D103 IonicContact NE-OD2 3.25Å; R83-D103 PolarHBondContact NE-OD2 3.23Å; R83-D103 IonicContact NH2-OD2 3.42Å; R83-D103 PolarHBondContact NH2-OD2 2.62Å; R83-T104 PolarHBondContact O-N 3.21Å; R83-T104 PolarHBondContact O-OG1 2.96Å; R83-K105 HydrophobicContact CB-CD 4.31Å; R83-K105 HydrophobicContact CB-CG 4.36Å; R83-K105 HydrophobicContact CG-CB 4.25Å; R83-K105 HydrophobicContact CG-CD 4.1Å; R83-K105 HydrophobicContact CG-CG 3.98Å
84	W	96.5	Very high	93.8	Very high	6 Å²	6	57.1 Å²	57.1	2%	0.023	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.3	-172.3	-56.5	-72.7	0	0	0	110.8	V80 K81 A101 V102 D103 V317 I319 F351 Y361 V363	V80-W84 HydrophobicContact CB-CB 4.45Å; V80-W84 HydrophobicContact CG1-CE3 4.37Å; V80-W84 PolarHBondContact N-O 2.74Å; V80-W84 PolarHBondContact O-N 3.35Å; K81-W84 HydrophobicContact CB-CE3 4.31Å; K81-W84 HydrophobicContact CB-CZ3 4.02Å; K81-W84 HydrophobicContact CD-CZ3 4.18Å; W84-A101 HydrophobicContact CB-CB 4.39Å; W84-V102 CarbonylContact C-O 3.58Å; W84-V102 WeakPolarHBondContact CA-O 3.33Å; W84-D103 PolarHBondContact NE1-OD2 3.49Å; W84-V317 HydrophobicContact CG-CG2 4.27Å; W84-I319 HydrophobicContact CB-CD1 3.84Å; W84-F351 HydrophobicContact CZ2-CB 4.32Å; W84-Y361 HydrophobicContact CZ3-CE2 4.22Å; W84-V363 HydrophobicContact CD2-CB 4.39Å; W84-V363 HydrophobicContact CD2-CG1 3.99Å; W84-V363 HydrophobicContact CD2-CG2 3.96Å; W84-V363 HydrophobicContact CE3-CG2 3.8Å; W84-V363 HydrophobicContact CG-CG1 4.09Å; W84-V363 HydrophobicContact CH2-CG2 4.26Å; W84-V363 HydrophobicContact CZ2-CB 4.32Å; W84-V363 HydrophobicContact CZ2-CG1 4.3Å; W84-V363 HydrophobicContact CZ2-CG2 4.41Å; W84-V363 HydrophobicContact CZ3-CG2 3.96Å
85	R	97.2	Very high	93.3	Very high	116 Å²	116	59.4 Å²	59.4	44%	0.438	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.5	179.7	-174.2	-179.9	-59.4	-74.1	7.2	110.4	G77 D78 L79 A101 V102 T104	G77-R85 WeakPolarHBondContact O-CG 3.49Å; G77-R85 PolarHBondContact O-NH1 3.03Å; D78-R85 CarbonylContact O-C 3.58Å; D78-R85 VanDerWaalsContact O-CA 3.31Å; D78-R85 WeakPolarHBondContact O-CA 3.5Å; L79-R85 HydrophobicContact CD1-CB 4.07Å; R85-A101 CarbonylContact O-C 3.23Å; R85-A101 WeakPolarHBondContact O-CA 3.37Å; R85-A101 VanDerWaalsContact O-CB 3.29Å; R85-A101 WeakPolarHBondContact O-CB 3.5Å; R85-V102 PolarHBondContact N-O 3.48Å; R85-V102 PolarHBondContact O-N 3.03Å; R85-T104 HydrophobicContact CB-CG2 3.76Å
86	V	97.7	Very high	93.1	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132	177.3	177.8	0	0	0	0	110.4	L74 S75 G77 D78 V80 Y99 I319	L74-V86 HydrophobicContact CB-CG2 4.21Å; L74-V86 HydrophobicContact CD1-CG2 4.11Å; S75-V86 WeakPolarHBondContact O-CG1 3.35Å; G77-V86 PolarHBondContact N-O 3.24Å; D78-V86 HydrophobicContact CB-CB 4.47Å; D78-V86 HydrophobicContact CB-CG2 4.28Å; D78-V86 PolarHBondContact O-N 2.76Å; V80-V86 HydrophobicContact CG2-CG2 4.37Å; V86-Y99 HydrophobicContact CG1-CD1 3.82Å; V86-Y99 HydrophobicContact CG1-CG 4.32Å; V86-I319 HydrophobicContact CG2-CD1 4.33Å
87	I	96.8	Very high	93.1	Very high	72 Å²	72	54.3 Å²	54.3	37%	0.369	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-56.9	171.2	-62.8	165.2	0	0	0	109	P76 E100 V102 R316	P76-I87 WeakPolarHBondContact CB-O 3.28Å; I87-E100 HydrophobicContact CB-CG 4.29Å; I87-E100 HydrophobicContact CD1-CG 3.77Å; I87-E100 PolarHBondContact N-O 3.38Å; I87-V102 HydrophobicContact CD1-CG2 3.4Å; I87-V102 HydrophobicContact CG1-CG2 3.84Å; I87-R316 HydrophobicContact CD1-CG 4.3Å
88	C	96.7	Very high	93.1	Very high	44 Å²	44	55.4 Å²	55.4	30%	0.297	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	164	-176	62.3	0	0	0	0	111.7	Y99 E100	C88-Y99 CarbonylContact O-C 2.93Å; C88-Y99 VanDerWaalsContact O-CA 3.28Å; C88-Y99 WeakPolarHBondContact O-CA 3.43Å; C88-E100 PolarHBondContact N-O 3.48Å; C88-E100 PolarHBondContact O-N 2.93Å
89	K	96.9	Very high	93.2	Very high	75 Å²	75	52.3 Å²	52.3	33%	0.326	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.9	168.5	-176.7	168.1	165.4	177.3	0	109.5	D72 E97 Y99	D72-K89 HydrophobicContact CB-CD 4.48Å; D72-K89 VanDerWaalsContact CG-CD 3.5Å; D72-K89 IonicContact OD1-NZ 3.33Å; D72-K89 PolarHBondContact OD1-NZ 2.78Å; D72-K89 WeakPolarHBondContact OD2-CD 3.47Å; D72-K89 IonicContact OD2-NZ 2.85Å; K89-E97 WeakPolarHBondContact CE-OE1 3.4Å; K89-E97 IonicContact NZ-OE1 2.94Å; K89-E97 PolarHBondContact NZ-OE1 2.9Å; K89-Y99 HydrophobicContact CB-CD1 3.84Å; K89-Y99 HydrophobicContact CB-CE1 3.72Å; K89-Y99 HydrophobicContact CD-CE1 4.19Å; K89-Y99 HydrophobicContact CG-CD1 4.33Å; K89-Y99 HydrophobicContact CG-CE1 4Å
90	L	94.3	Very high	93.3	Very high	86 Å²	86	50.3 Å²	50.3	45%	0.45	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-26.8	175.3	-66.1	172.8	0	0	0	112	I98 E100 L366	L90-I98 HydrophobicContact CB-CG2 4.31Å; L90-I98 HydrophobicContact CD1-CG2 4.22Å; L90-I98 PolarHBondContact N-O 3.09Å; L90-E100 HydrophobicContact CD1-CB 3.98Å; L90-E100 HydrophobicContact CD2-CB 4.06Å; L90-E100 HydrophobicContact CG-CB 3.99Å; L90-L366 HydrophobicContact CD1-CD1 3.57Å
91	G	92.7	Very high	93.4	Very high	30 Å²	30	50 Å²	50	31%	0.309	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	-175	177.2	0	0	0	0	0	112.9	I98	G91-I98 PolarHBondContact N-O 3.08Å; G91-I98 PolarHBondContact O-N 3.39Å
92	G	87.5	Confident	93.5	Very high	38 Å²	38	45.1 Å²	45.1	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	162.3	173.7	0	0	0	0	0	112.7	G96	G92-G96 CarbonylContact C-O 3.54Å; G92-G96 VanDerWaalsContact CA-O 3.31Å; G92-G96 WeakPolarHBondContact CA-O 3.37Å
93	G	82.7	Confident	93.5	Very high	56 Å²	56	39.4 Å²	39.4	58%	0.577	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-174.3	-159.6	-178.7	0	0	0	0	0	112.6	F95 G96	G93-F95 PolarHBondContact O-N 3.03Å; G93-G96 PolarHBondContact N-O 3.5Å; G93-G96 PolarHBondContact O-N 3.13Å
94	G	80.2	Confident	93.4	Very high	62 Å²	62	39.7 Å²	39.7	64%	0.639	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	0.2	-175.3	0	0	0	0	0	116.7	Q326	G94-Q326 PolarHBondContact O-NE2 3.36Å
95	F	84.4	Confident	92.9	Very high	56 Å²	56	45 Å²	45	25%	0.246	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	23.6	177	-54.1	-49.4	0	0	0	112.5	G93 K320 V330 L440	G93-F95 PolarHBondContact O-N 3.03Å; F95-K320 WeakPolarHBondContact O-CE 3.39Å; F95-V330 HydrophobicContact CB-CG2 3.88Å; F95-V330 HydrophobicContact CD1-CG1 4.14Å; F95-V330 HydrophobicContact CD1-CG2 3.9Å; F95-V330 HydrophobicContact CG-CG2 4.2Å; F95-L440 HydrophobicContact CE1-CD2 4.39Å; F95-L440 HydrophobicContact CE2-CD1 4.17Å; F95-L440 HydrophobicContact CE2-CD2 4.3Å; F95-L440 HydrophobicContact CE2-CG 3.99Å; F95-L440 HydrophobicContact CZ-CD1 4.33Å; F95-L440 HydrophobicContact CZ-CD2 3.73Å; F95-L440 HydrophobicContact CZ-CG 3.95Å
96	G	91.1	Very high	92	Very high	7 Å²	7	42 Å²	42	7%	0.072	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.5	-166	178.6	0	0	0	0	0	113.8	G92 G93 A321	G92-G96 CarbonylContact C-O 3.54Å; G92-G96 VanDerWaalsContact CA-O 3.31Å; G92-G96 WeakPolarHBondContact CA-O 3.37Å; G93-G96 PolarHBondContact N-O 3.5Å; G93-G96 PolarHBondContact O-N 3.13Å; G96-A321 CarbonylContact C-O 3.59Å; G96-A321 WeakPolarHBondContact CA-O 3.33Å
97	E	95.4	Very high	90.6	Very high	32 Å²	32	46.5 Å²	46.5	15%	0.15	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.8	-170.4	-54.7	-170.7	115.9	0	0	110.6	L73 K89 Y99 K320 A321	L73-E97 VanDerWaalsContact CB-OE2 3.27Å; L73-E97 WeakPolarHBondContact CB-OE2 3.44Å; L73-E97 HydrophobicContact CD1-CG 4.39Å; L73-E97 WeakPolarHBondContact CG-OE2 3.27Å; L73-E97 PolarHBondContact N-OE2 3.37Å; K89-E97 WeakPolarHBondContact CE-OE1 3.4Å; K89-E97 IonicContact NZ-OE1 2.94Å; K89-E97 PolarHBondContact NZ-OE1 2.9Å; E97-Y99 HydrophobicContact CB-CE2 3.68Å; E97-Y99 PolarHBondContact OE2-OH 2.89Å; E97-Y99 VanDerWaalsContact OE2-OH 3.05Å; E97-K320 CarbonylContact O-C 3.53Å; E97-K320 WeakPolarHBondContact O-CA 3.29Å; E97-A321 PolarHBondContact N-O 2.94Å; E97-A321 PolarHBondContact O-N 3.44Å
98	I	96.5	Very high	88.6	Confident	59 Å²	59	51.8 Å²	51.8	30%	0.303	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.6	-176	-55.2	177.1	0	0	0	109.4	L90 G91 I319 K320	L90-I98 HydrophobicContact CB-CG2 4.31Å; L90-I98 HydrophobicContact CD1-CG2 4.22Å; L90-I98 PolarHBondContact N-O 3.09Å; G91-I98 PolarHBondContact N-O 3.08Å; G91-I98 PolarHBondContact O-N 3.39Å; I98-I319 CarbonylContact C-O 3.36Å; I98-I319 WeakPolarHBondContact CA-O 3.28Å; I98-K320 HydrophobicContact CD1-CD 4.37Å; I98-K320 HydrophobicContact CG1-CB 4.23Å; I98-K320 HydrophobicContact CG1-CD 4.24Å; I98-K320 HydrophobicContact CG1-CG 3.93Å
99	Y	97.8	Very high	86.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.9	-174.5	-60.2	-90.7	0	0	0	112	L73 L74 V86 C88 K89 E97 A318 I319	L73-Y99 PolarHBondContact N-OH 3.11Å; L74-Y99 HydrophobicContact CB-CD1 4.34Å; L74-Y99 HydrophobicContact CB-CD2 4.43Å; L74-Y99 HydrophobicContact CB-CE1 3.88Å; L74-Y99 HydrophobicContact CB-CE2 3.97Å; L74-Y99 HydrophobicContact CD1-CD2 4.1Å; L74-Y99 HydrophobicContact CD1-CE2 4.11Å; L74-Y99 HydrophobicContact CG-CE2 4.46Å; L74-Y99 PolarHBondContact N-OH 2.9Å; L74-Y99 VanDerWaalsContact N-OH 3.09Å; L74-Y99 WeakPolarHBondContact O-CE1 3.47Å; L74-Y99 PolarHBondContact O-OH 3.41Å; V86-Y99 HydrophobicContact CG1-CD1 3.82Å; V86-Y99 HydrophobicContact CG1-CG 4.32Å; C88-Y99 CarbonylContact O-C 2.93Å; C88-Y99 VanDerWaalsContact O-CA 3.28Å; C88-Y99 WeakPolarHBondContact O-CA 3.43Å; K89-Y99 HydrophobicContact CB-CD1 3.84Å; K89-Y99 HydrophobicContact CB-CE1 3.72Å; K89-Y99 HydrophobicContact CD-CE1 4.19Å; K89-Y99 HydrophobicContact CG-CD1 4.33Å; K89-Y99 HydrophobicContact CG-CE1 4Å; E97-Y99 HydrophobicContact CB-CE2 3.68Å; E97-Y99 PolarHBondContact OE2-OH 2.89Å; E97-Y99 VanDerWaalsContact OE2-OH 3.05Å; Y99-A318 WeakPolarHBondContact O-CA 3.3Å; Y99-I319 PolarHBondContact N-O 3.33Å; Y99-I319 PolarHBondContact O-N 3.33Å
100	E	97.3	Very high	84.5	Confident	31 Å²	31	54.2 Å²	54.2	15%	0.145	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.3	162.6	176.8	166.4	163	0	0	108.4	I87 C88 L90 R316 L366	I87-E100 HydrophobicContact CB-CG 4.29Å; I87-E100 HydrophobicContact CD1-CG 3.77Å; I87-E100 PolarHBondContact N-O 3.38Å; C88-E100 PolarHBondContact N-O 3.48Å; C88-E100 PolarHBondContact O-N 2.93Å; L90-E100 HydrophobicContact CD1-CB 3.98Å; L90-E100 HydrophobicContact CD2-CB 4.06Å; L90-E100 HydrophobicContact CG-CB 3.99Å; E100-R316 WeakPolarHBondContact OE1-CD 3.2Å; E100-R316 IonicContact OE1-NH1 3.48Å; E100-L366 HydrophobicContact CB-CD2 4.27Å; E100-L366 HydrophobicContact CG-CD2 3.7Å
101	A	97.2	Very high	82.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.4	179.1	0	0	0	0	0	111.8	W84 R85 R316 V317 I319	W84-A101 HydrophobicContact CB-CB 4.39Å; R85-A101 CarbonylContact O-C 3.23Å; R85-A101 WeakPolarHBondContact O-CA 3.37Å; R85-A101 VanDerWaalsContact O-CB 3.29Å; R85-A101 WeakPolarHBondContact O-CB 3.5Å; A101-R316 CarbonylContact O-C 3.59Å; A101-R316 VanDerWaalsContact O-CA 3.25Å; A101-R316 WeakPolarHBondContact O-CA 3.22Å; A101-V317 HydrophobicContact CB-CG2 3.96Å; A101-V317 PolarHBondContact N-O 2.78Å; A101-V317 PolarHBondContact O-N 3.26Å; A101-I319 HydrophobicContact CB-CD1 3.54Å; A101-I319 HydrophobicContact CB-CG1 3.84Å
102	V	95.6	Very high	79.7	Confident	34 Å²	34	58.6 Å²	58.6	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.2	173.9	-172.1	0	0	0	0	110.6	W84 R85 I87 T104 K107 Y315	W84-V102 CarbonylContact C-O 3.58Å; W84-V102 WeakPolarHBondContact CA-O 3.33Å; R85-V102 PolarHBondContact N-O 3.48Å; R85-V102 PolarHBondContact O-N 3.03Å; I87-V102 HydrophobicContact CD1-CG2 3.4Å; I87-V102 HydrophobicContact CG1-CG2 3.84Å; V102-T104 PolarHBondContact O-N 3.43Å; V102-T104 VanDerWaalsContact O-N 3.15Å; V102-K107 HydrophobicContact CG1-CB 4.48Å; V102-K107 HydrophobicContact CG1-CD 4.32Å; V102-Y315 CarbonylContact C-O 3.59Å; V102-Y315 WeakPolarHBondContact CA-O 3.22Å
103	D	94.8	Very high	77.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	99.2	166.3	-164.7	-43.8	0	0	0	110.7	R83 W84 K105 L106 K107 Y315	R83-D103 IonicContact CZ-OD2 3.68Å; R83-D103 IonicContact NE-OD1 2.77Å; R83-D103 PolarHBondContact NE-OD1 3.26Å; R83-D103 IonicContact NE-OD2 3.25Å; R83-D103 PolarHBondContact NE-OD2 3.23Å; R83-D103 IonicContact NH2-OD2 3.42Å; R83-D103 PolarHBondContact NH2-OD2 2.62Å; W84-D103 PolarHBondContact NE1-OD2 3.49Å; D103-K105 PolarHBondContact O-N 3.36Å; D103-K105 PolarHBondContact OD1-N 3.08Å; D103-L106 HydrophobicContact CB-CB 4.18Å; D103-L106 HydrophobicContact CB-CD1 4.14Å; D103-L106 HydrophobicContact CB-CG 4.33Å; D103-L106 PolarHBondContact O-N 3.16Å; D103-L106 PolarHBondContact OD1-N 2.94Å; D103-K107 WeakPolarHBondContact O-CB 3.11Å; D103-K107 PolarHBondContact O-N 3.41Å; D103-Y315 PolarHBondContact N-O 3.29Å
104	T	91.2	Very high	75	Confident	27 Å²	27	63.1 Å²	63.1	17%	0.166	35%	0.346	C	S	.	.	H	α-helix	trans	-71.7	-15	-177.8	68.9	0	0	0	0	113.1	L79 R83 R85 V102 R108	L79-T104 HydrophobicContact CD1-CG2 4.24Å; R83-T104 PolarHBondContact O-N 3.21Å; R83-T104 PolarHBondContact O-OG1 2.96Å; R85-T104 HydrophobicContact CB-CG2 3.76Å; V102-T104 PolarHBondContact O-N 3.43Å; V102-T104 VanDerWaalsContact O-N 3.15Å; T104-R108 WeakPolarHBondContact O-CD 3.48Å; T104-R108 VanDerWaalsContact O-CG 3.29Å; T104-R108 WeakPolarHBondContact O-CG 3.46Å
105	K	86.6	Confident	72.6	Confident	117 Å²	117	66 Å²	66	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-81.9	-46.9	174.7	-68.1	-167.5	-177.7	-168.9	0	110.2	D82 R83 D103 R108	D82-K105 WeakPolarHBondContact O-CE 3.37Å; R83-K105 HydrophobicContact CB-CD 4.31Å; R83-K105 HydrophobicContact CB-CG 4.36Å; R83-K105 HydrophobicContact CG-CB 4.25Å; R83-K105 HydrophobicContact CG-CD 4.1Å; R83-K105 HydrophobicContact CG-CG 3.98Å; D103-K105 PolarHBondContact O-N 3.36Å; D103-K105 PolarHBondContact OD1-N 3.08Å; K105-R108 PolarHBondContact O-N 3.27Å
106	L	78.4	Confident	69.9	Low	52 Å²	52	69 Å²	69	27%	0.272	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-45	174.5	-68.4	175.5	0	0	0	112	D103 R108 V109 T144 Y315	D103-L106 HydrophobicContact CB-CB 4.18Å; D103-L106 HydrophobicContact CB-CD1 4.14Å; D103-L106 HydrophobicContact CB-CG 4.33Å; D103-L106 PolarHBondContact O-N 3.16Å; D103-L106 PolarHBondContact OD1-N 2.94Å; L106-R108 PolarHBondContact O-N 3.2Å; L106-V109 PolarHBondContact O-N 3.43Å; L106-T144 HydrophobicContact CD2-CG2 4.16Å; L106-Y315 HydrophobicContact CB-CD1 3.56Å; L106-Y315 HydrophobicContact CB-CE1 3.8Å
107	K	68.7	Low	67.1	Low	99 Å²	99	73.8 Å²	73.8	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-59.4	-32.2	178.1	-177.2	171.3	-179.6	177.7	0	113.5	V102 D103 H111 Y315	V102-K107 HydrophobicContact CG1-CB 4.48Å; V102-K107 HydrophobicContact CG1-CD 4.32Å; D103-K107 WeakPolarHBondContact O-CB 3.11Å; D103-K107 PolarHBondContact O-N 3.41Å; K107-H111 VanDerWaalsContact CE-NE2 3.27Å; K107-H111 WeakPolarHBondContact CE-NE2 3.27Å; K107-H111 PolarHBondContact O-CD2 2.82Å; K107-H111 VanDerWaalsContact O-CD2 3.26Å; K107-Y315 HydrophobicContact CB-CD2 4.04Å; K107-Y315 HydrophobicContact CB-CE2 4.37Å; K107-Y315 HydrophobicContact CB-CG 4.16Å; K107-Y315 HydrophobicContact CG-CD2 4.26Å; K107-Y315 HydrophobicContact CG-CE2 4.42Å
108	R	55.6	Low	64.1	Low	182 Å²	182	78.6 Å²	78.6	69%	0.687	44%	0.443	S	S	*	.	H	α-helix	trans	-67.9	-34.8	-179.9	-84.9	175	174.7	174	-2.1	113.1	T104 K105 L106 Q110 H111 S112	T104-R108 WeakPolarHBondContact O-CD 3.48Å; T104-R108 VanDerWaalsContact O-CG 3.29Å; T104-R108 WeakPolarHBondContact O-CG 3.46Å; K105-R108 PolarHBondContact O-N 3.27Å; L106-R108 PolarHBondContact O-N 3.2Å; R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 2.89Å; R108-H111 PolarHBondContact O-N 3.23Å; R108-H111 VanDerWaalsContact O-N 3.08Å; R108-S112 PolarHBondContact O-N 3.35Å; R108-S112 VanDerWaalsContact O-N 3.15Å; R108-S112 PolarHBondContact O-OG 3.29Å
109	V	58.6	Low	60.9	Low	100 Å²	100	80.6 Å²	80.6	61%	0.606	46%	0.463	S	S	*	.	H	α-helix	trans	-61	-36.6	-173.1	176.7	0	0	0	0	112.6	L106 S112	L106-V109 PolarHBondContact O-N 3.43Å; V109-S112 PolarHBondContact O-OG 3.3Å
110	Q	48.1	Very low	57.7	Low	70 Å²	70	86.2 Å²	86.2	33%	0.327	50%	0.502	S	S	.	.	H	α-helix	trans	-78.3	-23.7	176.2	-82.9	-170.6	-18.3	0	0	114.3	R108 S113 E311 Y315	R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 2.89Å; Q110-S113 PolarHBondContact O-OG 2.7Å; Q110-E311 PolarHBondContact NE2-O 2.6Å; Q110-Y315 WeakPolarHBondContact CG-OH 3.41Å; Q110-Y315 PolarHBondContact OE1-OH 3.48Å
111	H	45.1	Very low	54.3	Low	115 Å²	115	94 Å²	94	53%	0.532	53%	0.531	S	S	.	.	H	α-helix	trans	-84.2	-22.5	178	-70.3	-58.5	0	0	0	112.8	K107 R108 S113	K107-H111 VanDerWaalsContact CE-NE2 3.27Å; K107-H111 WeakPolarHBondContact CE-NE2 3.27Å; K107-H111 PolarHBondContact O-CD2 2.82Å; K107-H111 VanDerWaalsContact O-CD2 3.26Å; R108-H111 PolarHBondContact O-N 3.23Å; R108-H111 VanDerWaalsContact O-N 3.08Å; H111-S113 PolarHBondContact O-N 3.11Å
112	S	41.5	Very low	50.9	Low	93 Å²	93	103 Å²	103	65%	0.65	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-3.8	176.5	41.2	0	0	0	0	115.1	R108 V109	R108-S112 PolarHBondContact O-N 3.35Å; R108-S112 VanDerWaalsContact O-N 3.15Å; R108-S112 PolarHBondContact O-OG 3.29Å; V109-S112 PolarHBondContact O-OG 3.3Å
113	S	41.5	Very low	47.5	Very low	99 Å²	99	108.1 Å²	108.1	69%	0.692	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	9.4	-178.4	44.3	0	0	0	0	114.7	Q110 H111	Q110-S113 PolarHBondContact O-OG 2.7Å; H111-S113 PolarHBondContact O-N 3.11Å
114	S	30.4	Very low	44.2	Very low	90 Å²	90	116.7 Å²	116.7	63%	0.629	63%	0.633	S	S	*	*	S	Bend	trans	-139.5	35.5	-172.4	70	0	0	0	0	115.3
115	T	29.6	Very low	41.1	Very low	123 Å²	123	120.7 Å²	120.7	76%	0.755	66%	0.662	S	S	*	*			trans	-148.8	83.2	173.5	55	0	0	0	0	112.5
116	S	28	Very low	38.1	Very low	119 Å²	119	125 Å²	125	83%	0.832	68%	0.684	S	S	*	*			trans	-160.1	73.6	171.4	63.1	0	0	0	0	114.5
117	S	32	Very low	35.6	Very low	108 Å²	108	127 Å²	127	76%	0.755	70%	0.702	S	S	*	*			trans	-165.4	135.7	166.4	52.3	0	0	0	0	110
118	T	32.3	Very low	33.6	Very low	133 Å²	133	130.2 Å²	130.2	82%	0.816	72%	0.724	S	S	*	*			cis	-169.3	146	-9.5	19.7	0	0	0	0	107
119	S	27.9	Very low	32.2	Very low	101 Å²	101	129.7 Å²	129.7	71%	0.706	73%	0.734	S	S	*	*			cis	-164.6	162.2	-14.2	-154	0	0	0	0	109.8
120	S	30.3	Very low	30.6	Very low	117 Å²	117	134.6 Å²	134.6	82%	0.818	75%	0.747	S	S	*	*			trans	-145.4	158.8	158.7	63.8	0	0	0	0	110.5
121	Y	26.7	Very low	29.5	Very low	196 Å²	196	142.1 Å²	142.1	77%	0.769	77%	0.772	S	S	*	*			trans	-103.9	146.5	-147.3	-103.1	-145.6	0	0	0	116.9
122	Y	25	Very low	28.8	Very low	188 Å²	188	147.4 Å²	147.4	74%	0.737	79%	0.789	S	S	*	*			trans	72	131.3	154.5	-79.9	-58.7	0	0	0	123.4
123	N	24.2	Very low	28.1	Very low	141 Å²	141	149.3 Å²	149.3	75%	0.754	79%	0.788	S	S	*	*			trans	64.4	130.6	151.2	-59.4	-21.4	0	0	0	118
124	E	25.7	Very low	27.6	Very low	180 Å²	180	150.6 Å²	150.6	84%	0.841	79%	0.794	S	S	*	*	S	Bend	cis	-136.7	179.9	23.3	-67	-176.6	110.1	0	0	114.7
125	S	27.5	Very low	27.7	Very low	112 Å²	112	153.4 Å²	153.4	78%	0.783	80%	0.797	S	S	*	*			trans	76.4	46	157.9	74	0	0	0	0	120.5	S127	S125-S127 VanDerWaalsContact C-N 3.3Å; S125-S127 PolarHBondContact O-N 2.91Å
126	Q	23.8	Very low	28.2	Very low	208 Å²	208	155.3 Å²	155.3	97%	0.972	79%	0.792	S	S	*	*			trans	-76.8	72.7	160.4	-77.9	-156.5	19.1	0	0	113.4
127	S	24.7	Very low	29.5	Very low	93 Å²	93	151.8 Å²	151.8	65%	0.65	77%	0.767	S	S	*	*			trans	-159.1	94.4	165.8	47.6	0	0	0	0	112.7	S125	S125-S127 VanDerWaalsContact C-N 3.3Å; S125-S127 PolarHBondContact O-N 2.91Å
128	N	25.9	Very low	30.4	Very low	167 Å²	167	150.2 Å²	150.2	89%	0.893	75%	0.75	S	S	*	*	S	Bend	trans	169.4	48.3	150.3	-90.3	-39.4	0	0	0	113.9
129	L	28.1	Very low	32.1	Very low	171 Å²	171	144.8 Å²	144.8	90%	0.895	72%	0.717	S	S	*	*			trans	-147.9	32.9	175.9	-119.3	151.2	0	0	0	115.2
130	K	24.8	Very low	33.4	Very low	203 Å²	203	145.1 Å²	145.1	88%	0.883	71%	0.71	S	S	*	*			trans	-136.9	67.1	171.5	-74.9	-171.8	177.3	176.9	0	112.6
131	R	25	Very low	34.3	Very low	227 Å²	227	141.4 Å²	141.4	86%	0.857	68%	0.68	S	S	*	*			trans	-165.4	99	158.9	-107.9	173.3	-160.7	177.2	6.5	111
132	Y	28.7	Very low	35.6	Very low	227 Å²	227	132.8 Å²	132.8	89%	0.89	65%	0.649	S	S	*	*			trans	-127.1	117.5	153.7	-92.8	-82.4	0	0	0	106.7
133	H	27.8	Very low	36.8	Very low	132 Å²	132	126.2 Å²	126.2	61%	0.611	63%	0.633	S	S	*	*			trans	-71.2	146	176.8	-93.9	-122.3	0	0	0	110.6	E135	H133-E135 PolarHBondContact O-N 3.39Å
134	P	31.3	Very low	37.8	Very low	127 Å²	127	122 Å²	122	83%	0.825	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	1.2	-173.6	31.5	-36.7	0	0	0	115
135	E	32.6	Very low	38.4	Very low	149 Å²	149	118 Å²	118	70%	0.696	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-8.2	-163.3	-61.3	-178	123.5	0	0	115.1	H133	H133-E135 PolarHBondContact O-N 3.39Å
136	Y	40.1	Very low	38.8	Very low	163 Å²	163	116.6 Å²	116.6	64%	0.639	59%	0.588	S	S	*	*			trans	-115.3	92.9	-176.6	-67	-70	0	0	0	112.8	L138 I275	Y136-L138 PolarHBondContact O-N 2.9Å; Y136-I275 HydrophobicContact CD1-CD1 3.67Å; Y136-I275 HydrophobicContact CE1-CD1 4Å
137	S	55.3	Low	39	Very low	45 Å²	45	113 Å²	113	32%	0.315	58%	0.58	S	S	.	*			trans	-68	121.2	177.1	81.8	0	0	0	0	111.9	M273 C274 I275 I281	S137-M273 PolarHBondContact OG-O 2.97Å; S137-M273 VanDerWaalsContact OG-O 3.12Å; S137-C274 WeakPolarHBondContact O-CA 3.34Å; S137-I275 PolarHBondContact O-N 3.36Å; S137-I281 WeakPolarHBondContact OG-CD1 3.41Å
138	L	50.7	Low	39.2	Very low	75 Å²	75	116.2 Å²	116.2	39%	0.393	59%	0.589	S	S	.	*			trans	-118.7	130.4	173.2	-76.5	166.8	0	0	0	108.7	Y136 C142 A143 I275 N276	Y136-L138 PolarHBondContact O-N 2.9Å; L138-C142 HydrophobicContact CD2-CB 3.87Å; L138-A143 HydrophobicContact CB-CB 4.44Å; L138-I275 HydrophobicContact CD2-CG2 3.72Å; L138-I275 HydrophobicContact CG-CG2 4.26Å; L138-N276 HydrophobicContact CD2-CB 3.85Å
139	C	67.1	Low	39.2	Very low	19 Å²	19	116 Å²	116	13%	0.128	59%	0.587	C	S	.	*			trans	-67.2	153.6	168.3	78.3	0	0	0	0	109.5	N141 C142 A143 C274 C277 C279 I281	C139-N141 PolarHBondContact O-N 3.18Å; C139-C142 PolarHBondContact O-N 2.77Å; C139-A143 PolarHBondContact O-N 3.16Å; C139-C274 HydrophobicContact CB-CB 3.86Å; C139-C274 PolarHBondContact N-SG 3.5Å; C139-C277 PolarHBondContact SG-SG 2.8Å; C139-C279 VanDerWaalsContact SG-SG 3.68Å; C139-I281 HydrophobicContact CB-CG1 4.28Å
140	I	56.7	Low	39.2	Very low	108 Å²	108	114.9 Å²	114.9	55%	0.554	58%	0.581	S	S	*	*	H	α-helix	trans	-62.1	-20.6	-176.9	-157.8	174.2	0	0	0	113.1	T144	I140-T144 HydrophobicContact CG1-CG2 4.39Å; I140-T144 WeakPolarHBondContact O-CB 3.47Å; I140-T144 VanDerWaalsContact O-CG2 3.29Å; I140-T144 WeakPolarHBondContact O-CG2 3.4Å; I140-T144 PolarHBondContact O-N 2.84Å; I140-T144 PolarHBondContact O-OG1 3.3Å
141	N	47.9	Very low	39.2	Very low	38 Å²	38	109.2 Å²	109.2	20%	0.203	57%	0.572	C	S	.	*	H	α-helix	trans	-70.2	-29.9	170.4	-108.3	20.8	0	0	0	113.1	C139 N145 R349 L350	C139-N141 PolarHBondContact O-N 3.18Å; N141-N145 PolarHBondContact O-ND2 3.03Å; N141-R349 PolarHBondContact OD1-NE 3.2Å; N141-R349 VanDerWaalsContact OD1-NE 3.16Å; N141-R349 PolarHBondContact OD1-NH2 2.88Å; N141-L350 PolarHBondContact ND2-O 3.06Å
142	C	55.4	Low	39.3	Very low	15 Å²	15	103.8 Å²	103.8	10%	0.101	56%	0.564	C	S	.	*	H	α-helix	trans	-88.5	-40.4	178.2	-67.2	0	0	0	0	111.3	L138 C139 T144 N145 S146 N276	L138-C142 HydrophobicContact CD2-CB 3.87Å; C139-C142 PolarHBondContact O-N 2.77Å; C142-T144 VanDerWaalsContact C-N 3.25Å; C142-T144 PolarHBondContact O-N 2.81Å; C142-N145 PolarHBondContact O-N 3Å; C142-S146 PolarHBondContact O-N 2.9Å; C142-N276 HydrophobicContact CB-CB 4.01Å
143	A	50.3	Low	39.1	Very low	50 Å²	50	100.3 Å²	100.3	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-62	-30.2	175.4	0	0	0	0	0	113.1	L138 C139 N145 S146	L138-A143 HydrophobicContact CB-CB 4.44Å; C139-A143 PolarHBondContact O-N 3.16Å; A143-N145 VanDerWaalsContact C-N 3.35Å; A143-S146 PolarHBondContact O-OG 3.47Å
144	T	43.5	Very low	39	Very low	54 Å²	54	98.8 Å²	98.8	33%	0.331	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	3.4	177.8	54.4	0	0	0	0	114.9	L106 I140 C142	L106-T144 HydrophobicContact CD2-CG2 4.16Å; I140-T144 HydrophobicContact CG1-CG2 4.39Å; I140-T144 WeakPolarHBondContact O-CB 3.47Å; I140-T144 VanDerWaalsContact O-CG2 3.29Å; I140-T144 WeakPolarHBondContact O-CG2 3.4Å; I140-T144 PolarHBondContact O-N 2.84Å; I140-T144 PolarHBondContact O-OG1 3.3Å; C142-T144 VanDerWaalsContact C-N 3.25Å; C142-T144 PolarHBondContact O-N 2.81Å
145	N	39	Very low	38.9	Very low	95 Å²	95	98.7 Å²	98.7	51%	0.508	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.9	-1.9	176.8	-77.7	-61.9	0	0	0	113.5	N141 C142 A143 T147	N141-N145 PolarHBondContact O-ND2 3.03Å; C142-N145 PolarHBondContact O-N 3Å; A143-N145 VanDerWaalsContact C-N 3.35Å; N145-T147 PolarHBondContact O-N 3.18Å
146	S	35.1	Very low	38.5	Very low	83 Å²	83	97.4 Å²	97.4	58%	0.58	57%	0.572	S	S	*	*			trans	-79.7	65.2	177.6	52.3	0	0	0	0	112.7	C142 A143	C142-S146 PolarHBondContact O-N 2.9Å; A143-S146 PolarHBondContact O-OG 3.47Å
147	T	28.5	Very low	38.1	Very low	132 Å²	132	95.5 Å²	95.5	81%	0.81	58%	0.583	S	S	*	*			trans	-115.1	78.2	162.8	54.7	0	0	0	0	108.6	N145	N145-T147 PolarHBondContact O-N 3.18Å
148	L	29.3	Very low	36.8	Very low	160 Å²	160	96.5 Å²	96.5	84%	0.838	60%	0.599	S	S	*	*			trans	-139.2	143.1	172.1	-98.5	168.7	0	0	0	108.7	I150	L148-I150 PolarHBondContact O-N 2.83Å
149	N	26.6	Very low	35.9	Very low	162 Å²	162	101.8 Å²	101.8	87%	0.866	62%	0.622	S	S	*	*			trans	-63.2	126	-164.4	-58.5	-16.5	0	0	0	112.6
150	I	26.8	Very low	34	Very low	148 Å²	148	108 Å²	108	76%	0.759	65%	0.654	S	S	*	*			trans	-90.8	105.3	157.6	-61.7	177.3	0	0	0	106.6	L148 V152	L148-I150 PolarHBondContact O-N 2.83Å; I150-V152 HydrophobicContact CG2-CG2 4.22Å; I150-V152 PolarHBondContact O-N 3.46Å
151	A	24.7	Very low	32.8	Very low	84 Å²	84	110.2 Å²	110.2	69%	0.694	67%	0.667	S	S	*	*			trans	-72.9	115.2	164.3	0	0	0	0	0	108	N153	A151-N153 PolarHBondContact O-N 2.91Å; A151-N153 VanDerWaalsContact O-N 3.17Å
152	V	27.2	Very low	31.8	Very low	113 Å²	113	112.7 Å²	112.7	69%	0.685	69%	0.687	S	S	*	*			trans	-83.6	92.3	-178.3	-177.5	0	0	0	0	109.3	I150 S154	I150-V152 HydrophobicContact CG2-CG2 4.22Å; I150-V152 PolarHBondContact O-N 3.46Å; V152-S154 PolarHBondContact O-N 3.29Å
153	N	26.1	Very low	30.6	Very low	154 Å²	154	118.1 Å²	118.1	82%	0.824	72%	0.72	S	S	*	*			trans	-83.2	97.5	164.6	-76.6	-1.3	0	0	0	108.9	A151 P155	A151-N153 PolarHBondContact O-N 2.91Å; A151-N153 VanDerWaalsContact O-N 3.17Å; N153-P155 WeakPolarHBondContact O-CD 3.27Å
154	S	25.4	Very low	29.5	Very low	100 Å²	100	122.2 Å²	122.2	70%	0.699	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-81.2	122.5	175.1	-60.2	0	0	0	0	111.5	V152	V152-S154 PolarHBondContact O-N 3.29Å
155	P	29.6	Very low	28.8	Very low	126 Å²	126	127.3 Å²	127.3	82%	0.818	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-78.2	162.9	163.2	33.5	-33.2	0	0	0	111.4	N153	N153-P155 WeakPolarHBondContact O-CD 3.27Å
156	S	23.5	Very low	28.2	Very low	121 Å²	121	131.8 Å²	131.8	85%	0.846	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-101.7	130.3	-160.6	54.5	0	0	0	0	116.2
157	S	32.1	Very low	27.8	Very low	124 Å²	124	135 Å²	135	87%	0.867	79%	0.788	S	S	*	*			trans	-167.2	145.2	151.4	55.3	0	0	0	0	109.1
158	G	28.3	Very low	27.8	Very low	65 Å²	65	135.9 Å²	135.9	67%	0.67	78%	0.781	S	S	*	*			cis	144.1	114.8	-3.3	0	0	0	0	0	110.8
159	Q	31.5	Very low	27.7	Very low	186 Å²	186	134.9 Å²	134.9	87%	0.869	77%	0.772	S	S	*	*			trans	70	130.6	-173.8	-54.8	172	-21.6	0	0	113.9
160	N	26.7	Very low	27.8	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	76%	0.755	S	S	*	*			cis	105.3	104.9	12.3	-68.3	7	0	0	0	114.9
161	D	30.6	Very low	27.9	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	76%	0.757	S	S	*	*				-163.7	114.5	128.8	-102.8	-39.3	0	0	0	106.8
162	S	28.6	Very low	28.1	Very low	90 Å²	90	132 Å²	132	63%	0.629	76%	0.763	S	S	*	*				92.6	120.4	62.2	81.3	0	0	0	0	112.3
163	T	29.6	Very low	28.1	Very low	129 Å²	129	132.1 Å²	132.1	79%	0.791	77%	0.769	S	S	*	*				-167.8	138.7	110.7	18.8	0	0	0	0	111.8
164	V	27.4	Very low	28.2	Very low	136 Å²	136	132.5 Å²	132.5	82%	0.824	77%	0.771	S	S	*	*			trans	64.2	118.2	146.2	179.9	0	0	0	0	116.6
165	I	28.6	Very low	28.4	Very low	161 Å²	161	133 Å²	133	83%	0.826	78%	0.775	S	S	*	*			cis	-134.6	156.3	34.4	-61.6	176.1	0	0	0	112.1
166	K	25.2	Very low	28.4	Very low	190 Å²	190	130.7 Å²	130.7	83%	0.826	77%	0.774	S	S	*	*			trans	-100.5	170.6	175.1	-66.3	-178.2	177.2	178.9	0	111.8
167	L	27.6	Very low	28.5	Very low	149 Å²	149	133.9 Å²	133.9	78%	0.78	78%	0.78	S	S	*	*			cis	-139	-168.4	28.1	-69.2	159.2	0	0	0	109.4
168	K	28.7	Very low	28.3	Very low	151 Å²	151	131.7 Å²	131.7	66%	0.657	78%	0.777	S	S	*	*			cis	-145.4	153.5	3.6	-128	-122.9	169.3	-170.6	0	105.6	D170	K168-D170 IonicContact NZ-OD2 2.68Å; K168-D170 PolarHBondContact NZ-OD2 3.42Å
169	H	27.4	Very low	28.2	Very low	140 Å²	140	132 Å²	132	65%	0.648	78%	0.781	S	S	*	*				60.1	129.9	56.4	-87.8	-91.4	0	0	0	113.2
170	D	29	Very low	28	Very low	98 Å²	98	129.5 Å²	129.5	52%	0.524	78%	0.777	S	S	.	*			cis	-134	140.7	20.5	-71.3	-58.3	0	0	0	111.9	K168	K168-D170 IonicContact NZ-OD2 2.68Å; K168-D170 PolarHBondContact NZ-OD2 3.42Å
171	I	28.1	Very low	28.1	Very low	154 Å²	154	130.8 Å²	130.8	79%	0.79	78%	0.779	S	S	*	*				60.6	122	97.4	-50.5	168.6	0	0	0	114.7
172	G	28.9	Very low	27.8	Very low	80 Å²	80	127.8 Å²	127.8	83%	0.825	78%	0.775	S	S	*	*			trans	164.5	91.9	171.5	0	0	0	0	0	113.2
173	S	26.9	Very low	27.7	Very low	117 Å²	117	133.9 Å²	133.9	82%	0.818	79%	0.791	S	S	*	*			trans	-110.4	130.8	175.2	54.4	0	0	0	0	110.8
174	D	28.5	Very low	27.5	Very low	161 Å²	161	133 Å²	133	86%	0.861	79%	0.79	S	S	*	*			trans	-157.7	177.3	147	-138.7	-28.3	0	0	0	113.6
175	S	29.1	Very low	27.6	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	78%	0.781	S	S	*	*			trans	-102.3	151.7	-163.2	-41.2	0	0	0	0	111.6
176	G	29.3	Very low	27.5	Very low	79 Å²	79	129 Å²	129	81%	0.814	77%	0.773	S	S	*	*			trans	-154.2	110.5	176.3	0	0	0	0	0	113.5
177	I	27.2	Very low	27.8	Very low	187 Å²	187	127.3 Å²	127.3	96%	0.959	78%	0.778	S	S	*	*			trans	-96.3	134.1	175.8	-63.9	169.3	0	0	0	109.2
178	G	27.3	Very low	27.8	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	77%	0.767	S	S	*	*			trans	-177.6	135.4	171.4	0	0	0	0	0	112
179	G	25	Very low	27.9	Very low	73 Å²	73	127.1 Å²	127.1	75%	0.753	78%	0.779	S	S	*	*			trans	-134.2	-148.6	-179.2	0	0	0	0	0	112.9
180	V	28.8	Very low	27.9	Very low	132 Å²	132	125.3 Å²	125.3	80%	0.8	77%	0.771	S	S	*	*			trans	86.9	94.5	175.9	-169.4	0	0	0	0	116.6
181	Q	27.6	Very low	28	Very low	178 Å²	178	125.2 Å²	125.2	83%	0.832	77%	0.767	S	S	*	*				44.3	111	129.7	-61.7	175.5	-26.7	0	0	121.4
182	A	26	Very low	28	Very low	90 Å²	90	120.9 Å²	120.9	74%	0.744	76%	0.761	S	S	*	*				43.7	129.5	120.8	0	0	0	0	0	122
183	F	25.8	Very low	28	Very low	219 Å²	219	121.9 Å²	121.9	96%	0.961	75%	0.751	S	S	*	*				-148.4	161	126.9	-107.5	-74	0	0	0	111.7
184	S	25.5	Very low	28.1	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	76%	0.756	S	S	*	*			trans	-98.3	179.4	171.4	-139.1	0	0	0	0	109.1
185	S	28.3	Very low	28	Very low	91 Å²	91	126.9 Å²	126.9	64%	0.636	75%	0.749	S	S	*	*			cis	-167.4	158.8	15.4	41.3	0	0	0	0	111.3
186	D	27.6	Very low	27.8	Very low	123 Å²	123	128.5 Å²	128.5	66%	0.658	75%	0.749	S	S	*	*			trans	50.4	136.3	144.3	-68.8	-18.3	0	0	0	123.5
187	T	31.2	Very low	27.6	Very low	153 Å²	153	130.1 Å²	130.1	94%	0.939	75%	0.748	S	S	*	*				-146	137.8	122.2	-18.1	0	0	0	0	110.6
188	Q	28.7	Very low	27.8	Very low	119 Å²	119	126.4 Å²	126.4	56%	0.556	75%	0.745	S	S	*	*			trans	-112.2	155.4	-173.6	-56.9	179.2	14.5	0	0	112.4
189	I	30.8	Very low	27.7	Very low	177 Å²	177	126.3 Å²	126.3	91%	0.908	74%	0.744	S	S	*	*			trans	-133.7	130	148.5	-58.8	-176.9	0	0	0	109.4
190	Q	27.6	Very low	27.8	Very low	103 Å²	103	128.9 Å²	128.9	48%	0.481	75%	0.745	S	S	.	*			trans	-115.8	149.4	173.7	-50	175.2	-4.4	0	0	107.2
191	H	29.5	Very low	27.7	Very low	95 Å²	95	129.1 Å²	129.1	44%	0.44	75%	0.747	S	S	.	*				-179	169	54.5	-100.5	-58.8	0	0	0	107.7	S1476 K1477	H191-S1476 PolarHBondContact CD2-O 3.45Å; H191-S1476 PolarHBondContact CD2-OG 3.46Å; H191-S1476 VanDerWaalsContact CG-O 3.29Å; H191-K1477 VanDerWaalsContact CE1-CE 3.47Å; H191-K1477 WeakPolarHBondContact CE1-CE 2.94Å
192	G	28.4	Very low	27.7	Very low	63 Å²	63	126.3 Å²	126.3	65%	0.649	74%	0.742	S	S	*	*			cis	159.8	168.3	-7.8	0	0	0	0	0	114.2
193	T	28.4	Very low	27.7	Very low	101 Å²	101	127.6 Å²	127.6	62%	0.62	75%	0.746	S	S	*	*			trans	79.3	100.6	154.9	-37.6	0	0	0	0	121.4
194	R	29.3	Very low	27.7	Very low	242 Å²	242	121.7 Å²	121.7	91%	0.913	74%	0.738	S	S	*	*				-162.9	121.2	120	-117	-173.5	-174.5	-150.9	2.1	115.9
195	I	26.7	Very low	27.8	Very low	142 Å²	142	121.8 Å²	121.8	73%	0.728	74%	0.739	S	S	*	*			trans	-18.9	113.3	155.3	-58.3	151.6	0	0	0	116.3
196	N	25.8	Very low	27.7	Very low	144 Å²	144	126.2 Å²	126.2	77%	0.77	75%	0.754	S	S	*	*				173.9	137.8	107.2	-108.7	-15.8	0	0	0	115.1
197	S	25.4	Very low	27.7	Very low	112 Å²	112	125.4 Å²	125.4	78%	0.783	76%	0.758	S	S	*	*			trans	29.6	95.9	151.4	63.6	0	0	0	0	121.3
198	A	30.4	Very low	27.5	Very low	109 Å²	109	123.9 Å²	123.9	90%	0.901	75%	0.754	S	S	*	*			trans	-161.8	129.9	138.7	0	0	0	0	0	110.1
199	G	25.7	Very low	27.5	Very low	76 Å²	76	129.5 Å²	129.5	78%	0.784	77%	0.77	S	S	*	*			trans	-142.9	129.6	174.5	0	0	0	0	0	110.5
200	T	27	Very low	27.3	Very low	127 Å²	127	132.5 Å²	132.5	78%	0.779	77%	0.77	S	S	*	*			trans	-140.7	122.3	-175.9	43.9	0	0	0	0	111.9
201	T	26.1	Very low	27.3	Very low	138 Å²	138	135 Å²	135	85%	0.847	79%	0.786	S	S	*	*			trans	67	152.7	165.3	70.7	0	0	0	0	115.7
202	T	27.9	Very low	27.1	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	80%	0.799	S	S	*	*			cis	-137.4	155.1	11.9	39.3	0	0	0	0	113
203	S	25.5	Very low	27	Very low	118 Å²	118	142 Å²	142	83%	0.825	81%	0.809	S	S	*	*			trans	66	153.4	154.8	74.3	0	0	0	0	118
204	A	26.8	Very low	26.9	Very low	95 Å²	95	142.7 Å²	142.7	79%	0.785	81%	0.813	S	S	*	*			cis	-147.3	-164.2	4.3	0	0	0	0	0	111.9
205	S	27.1	Very low	26.7	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	81%	0.806	S	S	*	*			trans	85.8	91.9	169.3	-154	0	0	0	0	118.1
206	L	25.2	Very low	26.7	Very low	184 Å²	184	136.4 Å²	136.4	96%	0.963	81%	0.806	S	S	*	*			trans	-76.2	133.8	147.3	-74.3	157.2	0	0	0	108.4
207	S	27.2	Very low	26.7	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	80%	0.801	S	S	*	*			trans	-140.3	115.5	158.6	-170.2	0	0	0	0	111.5
208	S	28.1	Very low	26.9	Very low	122 Å²	122	136.6 Å²	136.6	85%	0.853	79%	0.794	S	S	*	*			trans	-139.1	88.7	162.8	-81.8	0	0	0	0	108.2
209	R	27.7	Very low	26.9	Very low	237 Å²	237	137.8 Å²	137.8	89%	0.894	79%	0.785	S	S	*	*			trans	48.3	92.1	160.4	-61.2	179.7	176.8	-176.5	-2.6	115.8
210	R	27.1	Very low	27.7	Very low	240 Å²	240	137.9 Å²	137.9	91%	0.906	77%	0.773	S	S	*	*			trans	-108	112.4	139.3	-151.9	172.4	-165.1	168.5	3.4	107.7
211	L	27.7	Very low	27.9	Very low	156 Å²	156	139.6 Å²	139.6	82%	0.817	78%	0.777	S	S	*	*			trans	-67.4	135.9	170	-87.9	155.2	0	0	0	108.6
212	I	25.3	Very low	28.1	Very low	142 Å²	142	140.9 Å²	140.9	73%	0.728	77%	0.771	S	S	*	*			trans	-129	101.8	159.7	-59.6	-179.9	0	0	0	106.1
213	L	27.7	Very low	28.3	Very low	162 Å²	162	142 Å²	142	85%	0.848	77%	0.772	S	S	*	*			trans	-97.4	156.4	145.3	-83.5	168	0	0	0	107.2
214	T	24.3	Very low	28.4	Very low	116 Å²	116	142.7 Å²	142.7	71%	0.712	77%	0.767	S	S	*	*			trans	-91.8	-178.8	-158.5	47.1	0	0	0	0	114.5
215	C	26.1	Very low	28.8	Very low	112 Å²	112	146.2 Å²	146.2	76%	0.757	77%	0.767	S	S	*	*			trans	81.4	122.8	176.3	-48.8	0	0	0	0	113
216	N	26.2	Very low	28.9	Very low	139 Å²	139	148.9 Å²	148.9	74%	0.743	77%	0.767	S	S	*	*			cis	58.2	139.3	45.2	-65.2	32.4	0	0	0	111.6
217	E	27.3	Very low	29.2	Very low	142 Å²	142	148.4 Å²	148.4	66%	0.664	77%	0.765	S	S	*	*			cis	-160.2	-172.7	11.2	-122.8	159.4	-111.9	0	0	107.7
218	N	28	Very low	29.3	Very low	118 Å²	118	146.7 Å²	146.7	63%	0.631	76%	0.764	S	S	*	*			cis	-157.9	174.7	5.9	-111	-48.1	0	0	0	107
219	N	30.6	Very low	29.3	Very low	134 Å²	134	150.8 Å²	150.8	72%	0.717	77%	0.767	S	S	*	*			cis	-171.3	-108.4	-40	-175.7	4.2	0	0	0	110.9
220	P	43.5	Very low	29.5	Very low	79 Å²	79	146.8 Å²	146.8	51%	0.513	76%	0.762	S	S	.	*			trans	-137.1	-172.1	-148.6	44.5	-24.6	0	0	0	118.2
221	N	29.6	Very low	29.5	Very low	163 Å²	163	143.1 Å²	143.1	87%	0.872	76%	0.755	S	S	*	*			trans	-110.6	132.4	136.5	-77.4	-25.8	0	0	0	107.3
222	K	31.2	Very low	29.5	Very low	164 Å²	164	141.2 Å²	141.2	71%	0.713	75%	0.745	S	S	*	*			cis	93.2	112.6	27.1	-78.3	-155.9	166.4	-167.1	0	116.4
223	N	32.1	Very low	29.7	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	75%	0.747	S	S	*	*			trans	152.3	142.1	136	-77.5	-8.1	0	0	0	108.9
224	N	28.6	Very low	29.6	Very low	133 Å²	133	139.2 Å²	139.2	71%	0.711	74%	0.735	S	S	*	*			cis	-165.1	-179.2	-22.8	-113.5	7.5	0	0	0	108.5
225	Q	34.6	Very low	29.8	Very low	168 Å²	168	139.1 Å²	139.1	79%	0.785	74%	0.739	S	S	*	*			trans	75.9	128.5	-179.7	-54.3	-173.9	-71.4	0	0	113.6
226	E	29.2	Very low	30.1	Very low	169 Å²	169	137.5 Å²	137.5	79%	0.79	73%	0.734	S	S	*	*				74.8	129.3	51.2	-61.4	166.3	157.7	0	0	111.1
227	D	31.3	Very low	30.1	Very low	173 Å²	173	136.6 Å²	136.6	93%	0.925	73%	0.733	S	S	*	*			cis	-91.1	-175.6	11.7	-63.4	-64.5	0	0	0	116.6
228	G	29.5	Very low	30.4	Very low	69 Å²	69	136.4 Å²	136.4	71%	0.711	74%	0.737	S	S	*	*			trans	161.1	-25.2	155	0	0	0	0	0	121.8
229	F	28.4	Very low	30.6	Very low	208 Å²	208	137.5 Å²	137.5	91%	0.912	74%	0.742	S	S	*	*			trans	66.1	148.2	176.9	-93.1	-93.8	0	0	0	120.2
230	I	31.6	Very low	30.3	Very low	154 Å²	154	140.4 Å²	140.4	79%	0.79	75%	0.745	S	S	*	*			trans	69.7	62.6	169.5	-43.1	-175.6	0	0	0	118.3
231	H	27.1	Very low	30.1	Very low	162 Å²	162	141.2 Å²	141.2	75%	0.75	75%	0.75	S	S	*	*				-3.3	159.7	114.5	-84	-10.4	0	0	0	119.7
232	L	27	Very low	30.2	Very low	116 Å²	116	143.4 Å²	143.4	61%	0.607	75%	0.748	S	S	*	*			cis	-164.9	178	1.7	-107.5	166.2	0	0	0	107
233	K	30	Very low	29.9	Very low	177 Å²	177	140.7 Å²	140.7	77%	0.77	74%	0.74	S	S	*	*			cis	-136.5	160.3	10.3	-90	107.7	-179.8	-176.1	0	107.9
234	S	25.7	Very low	29.8	Very low	85 Å²	85	140.6 Å²	140.6	59%	0.594	74%	0.735	S	S	*	*			cis	97.6	151.3	18	87.1	0	0	0	0	117.6
235	S	28.4	Very low	29.8	Very low	115 Å²	115	140.9 Å²	140.9	80%	0.804	73%	0.73	S	S	*	*			trans	71.6	147.4	163.2	31.3	0	0	0	0	120.2
236	A	31.3	Very low	29.5	Very low	78 Å²	78	139.3 Å²	139.3	65%	0.645	73%	0.725	S	S	*	*			cis	-170.6	137.5	-14.2	0	0	0	0	0	115.6
237	T	27.8	Very low	29.3	Very low	119 Å²	119	137.8 Å²	137.8	73%	0.73	72%	0.723	S	S	*	*				72.6	154.7	127.1	61.2	0	0	0	0	126.8
238	N	33.4	Very low	29.6	Very low	138 Å²	138	134.7 Å²	134.7	74%	0.738	71%	0.712	S	S	*	*			trans	90.1	135.1	162.7	-57.7	-23.9	0	0	0	117.7
239	N	31.6	Very low	29.4	Very low	141 Å²	141	140.1 Å²	140.1	75%	0.754	72%	0.719	S	S	*	*			cis	-154	169.7	-4.8	-127.1	-24.3	0	0	0	115.3
240	Y	25.4	Very low	29.2	Very low	195 Å²	195	136.6 Å²	136.6	77%	0.765	71%	0.71	S	S	*	*			trans	-78	178.7	-174.4	-88.3	-99.6	0	0	0	115.5
241	P	38.4	Very low	29	Very low	97 Å²	97	137.4 Å²	137.4	63%	0.63	71%	0.708	S	S	*	*			cis	-122.6	-164.8	8.3	24.4	2	0	0	0	113.8
242	Y	30.6	Very low	28.9	Very low	208 Å²	208	134.9 Å²	134.9	82%	0.816	71%	0.708	S	S	*	*			cis	-147.8	158.6	15.1	-103.8	-77.9	0	0	0	107.8
243	L	26.2	Very low	28.8	Very low	107 Å²	107	133.4 Å²	133.4	56%	0.56	71%	0.713	S	S	*	*			cis	79.2	137.8	16.1	-50.3	-172.8	0	0	0	114.7
244	H	30.5	Very low	28.6	Very low	141 Å²	141	129.9 Å²	129.9	65%	0.653	71%	0.711	S	S	*	*			cis	-159.5	161.7	13	-124.3	-148.9	0	0	0	108.9
245	K	28.5	Very low	28.6	Very low	139 Å²	139	132.8 Å²	132.8	60%	0.604	72%	0.719	S	S	*	*			cis	-179.2	166.2	-24.9	-119.1	-167	-160.4	159.1	0	111.9
246	I	26.9	Very low	28.5	Very low	134 Å²	134	133.6 Å²	133.6	69%	0.687	72%	0.719	S	S	*	*			trans	71	143.4	144.8	-76.7	170	0	0	0	118.7
247	N	24.9	Very low	28.2	Very low	138 Å²	138	135.6 Å²	135.6	74%	0.738	73%	0.728	S	S	*	*			cis	-159.3	166.1	-17.6	-115.3	12.1	0	0	0	111.7
248	P	38.2	Very low	28.2	Very low	107 Å²	107	136.5 Å²	136.5	70%	0.695	73%	0.734	S	S	*	*			trans	-116.2	151.3	165.3	39.1	-28.9	0	0	0	115
249	Q	25.2	Very low	28.3	Very low	184 Å²	184	135.5 Å²	135.5	86%	0.86	74%	0.735	S	S	*	*			trans	161.7	134.1	148	-93.4	171.8	-16.9	0	0	107.6
250	D	24.9	Very low	27.9	Very low	133 Å²	133	139.8 Å²	139.8	71%	0.711	74%	0.741	S	S	*	*				-176.9	162.6	79.7	-104.6	-29.5	0	0	0	115.3
251	F	27	Very low	27.9	Very low	172 Å²	172	137.1 Å²	137.1	75%	0.754	74%	0.739	S	S	*	*			trans	35.3	107.1	154.3	-74.1	-85.1	0	0	0	125.7
252	S	24.4	Very low	27.3	Very low	109 Å²	109	137 Å²	137	76%	0.762	74%	0.741	S	S	*	*				76.1	141	118	75.2	0	0	0	0	125.4
253	A	26	Very low	27	Very low	84 Å²	84	132 Å²	132	69%	0.694	74%	0.736	S	S	*	*			trans	90.3	105.2	141	0	0	0	0	0	123
254	S	25.3	Very low	27	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	75%	0.748	S	S	*	*			trans	89.4	132.5	130.6	77.5	0	0	0	0	123.1
255	N	25.8	Very low	26.9	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	76%	0.758	S	S	*	*			trans	66	107.7	142.3	-61.6	-8.1	0	0	0	123.7
256	V	25.5	Very low	27	Very low	133 Å²	133	132.1 Å²	132.1	81%	0.806	77%	0.766	S	S	*	*				42.2	110.4	126.1	-171.4	0	0	0	0	119.1
257	S	26.5	Very low	27.1	Very low	119 Å²	119	132.2 Å²	132.2	83%	0.832	77%	0.768	S	S	*	*				-171.8	167.8	127	-86.8	0	0	0	0	114.3
258	T	26.3	Very low	27.4	Very low	138 Å²	138	131.7 Å²	131.7	85%	0.847	77%	0.773	S	S	*	*			trans	-80.6	172.1	-164	29.7	0	0	0	0	116.2
259	P	36.7	Very low	27.1	Very low	117 Å²	117	132.5 Å²	132.5	76%	0.76	77%	0.771	S	S	*	*			trans	-113.3	172.8	-148.5	42.5	-37.6	0	0	0	117.1
260	R	23.4	Very low	27.7	Very low	232 Å²	232	132.4 Å²	132.4	88%	0.875	77%	0.768	S	S	*	*			trans	-161.6	150.4	145.9	-112.3	174.8	-172.7	157.2	7.1	114.2
261	D	24.4	Very low	28.9	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	77%	0.766	S	S	*	*			trans	15	143.5	143.5	-65.9	-45.4	0	0	0	121.2
262	S	25.5	Very low	30.4	Very low	96 Å²	96	127.9 Å²	127.9	67%	0.671	74%	0.74	S	S	*	*			cis	-172	162.4	2.3	49.5	0	0	0	0	115.1
263	S	25.2	Very low	31.9	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	73%	0.73	S	S	*	*			trans	84.4	153.5	144.7	81.8	0	0	0	0	122.9
264	Q	26.7	Very low	34	Very low	172 Å²	172	123.9 Å²	123.9	80%	0.804	70%	0.697	S	S	*	*			trans	87.8	133.4	158.9	-58.6	-157.8	20.3	0	0	123.1
265	T	27.9	Very low	35.9	Very low	142 Å²	142	122.8 Å²	122.8	87%	0.871	68%	0.682	S	S	*	*			trans	65.1	116.1	164.5	59.1	0	0	0	0	119.9
266	G	29.5	Very low	37.4	Very low	75 Å²	75	121.1 Å²	121.1	77%	0.773	67%	0.673	S	S	*	*			trans	-165.1	78.9	177.8	0	0	0	0	0	113.1
267	N	30	Very low	39.5	Very low	136 Å²	136	117.3 Å²	117.3	73%	0.727	65%	0.652	S	S	*	*			trans	-25.2	117.1	-178.1	-172.6	6.3	0	0	0	117.4	D269	N267-D269 PolarHBondContact O-N 2.84Å; N267-D269 VanDerWaalsContact O-N 3.17Å
268	P	30.5	Very low	41.2	Very low	128 Å²	128	117.8 Å²	117.8	83%	0.831	64%	0.639	S	S	*	*			trans	-89.4	44.9	-172.1	39.2	-39	0	0	0	114.7
269	D	31.8	Very low	43	Very low	123 Å²	123	113.4 Å²	113.4	66%	0.658	61%	0.613	S	S	*	*			trans	-136.1	58.1	-174.9	-139.3	-21.5	0	0	0	113.9	N267	N267-D269 PolarHBondContact O-N 2.84Å; N267-D269 VanDerWaalsContact O-N 3.17Å
270	K	38.9	Very low	43.9	Very low	182 Å²	182	112.9 Å²	112.9	79%	0.791	60%	0.601	S	S	*	*			trans	-132.2	90.5	172.2	-74.9	-172.4	178.2	177.4	0	111.9	S272	K270-S272 PolarHBondContact O-N 3.43Å
271	R	48.6	Very low	45.7	Very low	179 Å²	179	103.9 Å²	103.9	68%	0.675	57%	0.569	S	S	*	*			trans	-56.1	124.9	173.4	-65.6	155.4	177	-109.5	7.1	111	M273 E280	R271-M273 PolarHBondContact O-N 3.49Å; R271-E280 WeakPolarHBondContact CD-OE1 3.15Å; R271-E280 VanDerWaalsContact CG-OE1 3.32Å; R271-E280 WeakPolarHBondContact CG-OE1 3.38Å; R271-E280 IonicContact CZ-OE1 3.86Å; R271-E280 IonicContact NE-OE1 2.75Å; R271-E280 IonicContact NH1-OE1 2.7Å; R271-E280 PolarHBondContact NH1-OE1 3.37Å; R271-E280 IonicContact NH1-OE2 3.26Å
272	S	58.5	Low	46.7	Very low	31 Å²	31	102.8 Å²	102.8	22%	0.217	57%	0.57	C	S	.	*			trans	-83.4	104	178.6	41.6	0	0	0	0	110.9	K270 I281	K270-S272 PolarHBondContact O-N 3.43Å; S272-I281 WeakPolarHBondContact O-CB 3.18Å; S272-I281 PolarHBondContact O-N 2.93Å
273	M	57.3	Low	47.4	Very low	110 Å²	110	105.2 Å²	105.2	54%	0.542	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-81.6	128	169.7	-66.5	178	71.7	0	0	110	S137 R271 I275 K278	S137-M273 PolarHBondContact OG-O 2.97Å; S137-M273 VanDerWaalsContact OG-O 3.12Å; R271-M273 PolarHBondContact O-N 3.49Å; M273-I275 PolarHBondContact O-N 2.91Å; M273-K278 HydrophobicContact CE-CB 3.97Å; M273-K278 VanDerWaalsContact CE-O 3.26Å; M273-K278 WeakPolarHBondContact CE-O 3.38Å
274	C	69.2	Low	48	Very low	0 Å²	0	110.7 Å²	110.7	0%	0	58%	0.576	C	S	.	*			trans	-59.6	126.5	172.4	166.4	0	0	0	0	110.5	S137 C139 N276 C277 K278 C279 I281	S137-C274 WeakPolarHBondContact O-CA 3.34Å; C139-C274 HydrophobicContact CB-CB 3.86Å; C139-C274 PolarHBondContact N-SG 3.5Å; C274-N276 PolarHBondContact O-N 3.31Å; C274-C277 WeakPolarHBondContact CB-SG 3.37Å; C274-C277 PolarHBondContact SG-SG 3.39Å; C274-K278 WeakPolarHBondContact O-CA 3.4Å; C274-K278 PolarHBondContact O-N 3.27Å; C274-C279 WeakPolarHBondContact CB-O 3.5Å; C274-C279 PolarHBondContact N-O 2.82Å; C274-I281 HydrophobicContact CB-CD1 3.92Å; C274-I281 HydrophobicContact CB-CG1 4.02Å
275	I	64.8	Low	48	Very low	80 Å²	80	107.8 Å²	107.8	41%	0.41	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.3	-26.7	-172.9	-167.3	162.8	0	0	0	113.8	Y136 S137 L138 M273 K278	Y136-I275 HydrophobicContact CD1-CD1 3.67Å; Y136-I275 HydrophobicContact CE1-CD1 4Å; S137-I275 PolarHBondContact O-N 3.36Å; L138-I275 HydrophobicContact CD2-CG2 3.72Å; L138-I275 HydrophobicContact CG-CG2 4.26Å; M273-I275 PolarHBondContact O-N 2.91Å; I275-K278 WeakPolarHBondContact O-CE 3.26Å; I275-K278 PolarHBondContact O-NZ 3.03Å
276	N	59	Low	47.9	Very low	111 Å²	111	109.4 Å²	109.4	59%	0.594	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-59.3	-174.1	-171.3	-7.1	0	0	0	113	L138 C142 C274 K278	L138-N276 HydrophobicContact CD2-CB 3.85Å; C142-N276 HydrophobicContact CB-CB 4.01Å; C274-N276 PolarHBondContact O-N 3.31Å; N276-K278 VanDerWaalsContact C-N 3.33Å; N276-K278 PolarHBondContact O-N 3.26Å
277	C	68.2	Low	47.8	Very low	53 Å²	53	114.1 Å²	114.1	36%	0.358	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.5	-14.7	177.5	61.7	0	0	0	0	114.6	C139 C274 C279	C139-C277 PolarHBondContact SG-SG 2.8Å; C274-C277 WeakPolarHBondContact CB-SG 3.37Å; C274-C277 PolarHBondContact SG-SG 3.39Å; C277-C279 HydrophobicContact CB-CB 4.04Å; C277-C279 WeakPolarHBondContact CB-SG 3.49Å; C277-C279 PolarHBondContact O-N 3.11Å; C277-C279 WeakPolarHBondContact SG-CB 3.49Å; C277-C279 PolarHBondContact SG-N 3.43Å; C277-C279 CovalentContact SG-SG 2.05Å; C277-C279 PolarHBondContact SG-SG 3.19Å
278	K	63.7	Low	47.6	Very low	128 Å²	128	116.9 Å²	116.9	56%	0.557	58%	0.583	S	S	*	*			trans	55.9	9	-164	-53.9	-51	-171.6	-165.7	0	115.3	M273 C274 I275 N276	M273-K278 HydrophobicContact CE-CB 3.97Å; M273-K278 VanDerWaalsContact CE-O 3.26Å; M273-K278 WeakPolarHBondContact CE-O 3.38Å; C274-K278 WeakPolarHBondContact O-CA 3.4Å; C274-K278 PolarHBondContact O-N 3.27Å; I275-K278 WeakPolarHBondContact O-CE 3.26Å; I275-K278 PolarHBondContact O-NZ 3.03Å; N276-K278 VanDerWaalsContact C-N 3.33Å; N276-K278 PolarHBondContact O-N 3.26Å
279	C	63.2	Low	47.3	Very low	46 Å²	46	120.5 Å²	120.5	31%	0.311	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-74.7	138.7	174.1	62.2	0	0	0	0	111	C139 C274 C277	C139-C279 VanDerWaalsContact SG-SG 3.68Å; C274-C279 WeakPolarHBondContact CB-O 3.5Å; C274-C279 PolarHBondContact N-O 2.82Å; C277-C279 HydrophobicContact CB-CB 4.04Å; C277-C279 WeakPolarHBondContact CB-SG 3.49Å; C277-C279 PolarHBondContact O-N 3.11Å; C277-C279 WeakPolarHBondContact SG-CB 3.49Å; C277-C279 PolarHBondContact SG-N 3.43Å; C277-C279 CovalentContact SG-SG 2.05Å; C277-C279 PolarHBondContact SG-SG 3.19Å
280	E	55	Low	46.9	Very low	107 Å²	107	120.3 Å²	120.3	50%	0.5	59%	0.59	S	S	.	*	B	Isolated β-bridge	trans	-67.4	133.1	-177.7	-168.9	165.1	-149.4	0	0	110.2	R271	R271-E280 WeakPolarHBondContact CD-OE1 3.15Å; R271-E280 VanDerWaalsContact CG-OE1 3.32Å; R271-E280 WeakPolarHBondContact CG-OE1 3.38Å; R271-E280 IonicContact CZ-OE1 3.86Å; R271-E280 IonicContact NE-OE1 2.75Å; R271-E280 IonicContact NH1-OE1 2.7Å; R271-E280 PolarHBondContact NH1-OE1 3.37Å; R271-E280 IonicContact NH1-OE2 3.26Å
281	I	61.4	Low	46.2	Very low	42 Å²	42	118.6 Å²	118.6	22%	0.215	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-94.8	117.7	178	-59.1	172.2	0	0	0	107.6	S137 C139 S272 C274 Q283	S137-I281 WeakPolarHBondContact OG-CD1 3.41Å; C139-I281 HydrophobicContact CB-CG1 4.28Å; S272-I281 WeakPolarHBondContact O-CB 3.18Å; S272-I281 PolarHBondContact O-N 2.93Å; C274-I281 HydrophobicContact CB-CD1 3.92Å; C274-I281 HydrophobicContact CB-CG1 4.02Å; I281-Q283 PolarHBondContact O-N 3.2Å
282	P	46.2	Very low	45.1	Very low	115 Å²	115	117.7 Å²	117.7	75%	0.747	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-64.7	119.1	179.3	-21.9	33.7	0	0	0	111.3	R284	P282-R284 PolarHBondContact O-N 3.38Å
283	Q	38.9	Very low	43.5	Very low	148 Å²	148	121.8 Å²	121.8	69%	0.692	62%	0.617	S	S	*	*			trans	-79.6	103.4	165.7	-76.5	-177.2	-18.8	0	0	109.3	I281	I281-Q283 PolarHBondContact O-N 3.2Å
284	R	37.7	Very low	42.1	Very low	216 Å²	216	122.5 Å²	122.5	82%	0.815	62%	0.617	S	S	*	*			trans	-134.4	136	157.9	-76.3	-169.3	170.8	-177.2	-3.6	109	P282	P282-R284 PolarHBondContact O-N 3.38Å
285	S	28.5	Very low	40.1	Very low	111 Å²	111	130 Å²	130	78%	0.776	65%	0.652	S	S	*	*			trans	45.6	76	171.8	57.6	0	0	0	0	116.8
286	I	25.7	Very low	38.3	Very low	177 Å²	177	134.6 Å²	134.6	91%	0.908	67%	0.671	S	S	*	*			trans	-104.8	76.5	139.6	-55.9	179.8	0	0	0	106.5
287	E	27	Very low	36.7	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.813	67%	0.674	S	S	*	*			trans	-114.9	152.7	167.9	-69.6	-161.2	132	0	0	110
288	K	24.9	Very low	34.9	Very low	194 Å²	194	139.7 Å²	139.7	84%	0.843	70%	0.702	S	S	*	*			trans	-83.1	126.5	-159.9	-59.1	169.9	-175.7	172	0	111.5
289	F	24.6	Very low	33.3	Very low	203 Å²	203	136.9 Å²	136.9	89%	0.89	71%	0.71	S	S	*	*			trans	-114.9	100.1	152.5	-79	-80.6	0	0	0	109.6
290	T	24.5	Very low	31.7	Very low	120 Å²	120	142.3 Å²	142.3	74%	0.736	73%	0.734	S	S	*	*			trans	-72.2	121.1	166.9	41.6	0	0	0	0	109.3	N292	T290-N292 PolarHBondContact O-N 3.29Å
291	L	24.2	Very low	30.3	Very low	145 Å²	145	142.4 Å²	142.4	76%	0.759	75%	0.746	S	S	*	*			trans	-64.4	123.7	166.1	-82.7	75.8	0	0	0	109
292	N	24.6	Very low	28.6	Very low	160 Å²	160	146.1 Å²	146.1	86%	0.856	77%	0.771	S	S	*	*			trans	-97.3	104.2	153.4	-86.8	-8.4	0	0	0	107.3	T290	T290-N292 PolarHBondContact O-N 3.29Å
293	N	25.8	Very low	27.7	Very low	118 Å²	118	148.3 Å²	148.3	63%	0.631	78%	0.777	S	S	*	*			trans	-69.2	135.9	171.1	-70.4	-4.1	0	0	0	109.7
294	K	27.7	Very low	27.1	Very low	125 Å²	125	144.9 Å²	144.9	54%	0.543	77%	0.769	S	S	.	*			trans	-126.7	128.5	137.5	-92.4	-173.2	160.7	178.9	0	108.5	N1025 T1026	K294-N1025 PolarHBondContact NZ-OD1 3.32Å; K294-T1026 PolarHBondContact NZ-OG1 3.42Å
295	H	25.9	Very low	26.5	Very low	158 Å²	158	136 Å²	136	73%	0.731	75%	0.745	S	S	*	*			trans	-76.2	145.5	165.3	-73.4	-115.5	0	0	0	108.2
296	E	26.9	Very low	26.6	Very low	175 Å²	175	138.1 Å²	138.1	82%	0.818	75%	0.746	S	S	*	*				-149.3	153	127	-113.4	156.4	-140.3	0	0	107.9
297	S	26.5	Very low	26.6	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	71%	0.709	S	S	*	*			trans	-142.4	129.8	-164.9	55.7	0	0	0	0	111.1
298	N	30.5	Very low	26.7	Very low	176 Å²	176	125.3 Å²	125.3	94%	0.941	69%	0.691	S	S	*	*			trans	-175.1	160.8	152.1	-92.2	-27.9	0	0	0	110.4
299	G	30.1	Very low	27	Very low	69 Å²	69	120.7 Å²	120.7	71%	0.711	68%	0.679	S	S	*	*			trans	97.6	46.6	148.3	0	0	0	0	0	121.1
300	I	28.5	Very low	27.2	Very low	161 Å²	161	116 Å²	116	83%	0.826	66%	0.664	S	S	*	*			trans	24.8	115.5	137.5	-58	170.1	0	0	0	119.1
301	S	26.2	Very low	27.8	Very low	108 Å²	108	115.1 Å²	115.1	76%	0.755	65%	0.651	S	S	*	*			trans	56.4	130.6	145.1	-126.8	0	0	0	0	119.6
302	T	26.1	Very low	28.8	Very low	121 Å²	121	111.9 Å²	111.9	74%	0.742	65%	0.646	S	S	*	*			cis	-152.9	171.9	31.9	43.7	0	0	0	0	111.9	S304	T302-S304 PolarHBondContact O-N 2.28Å; T302-S304 VanDerWaalsContact O-N 3.08Å
303	D	27.7	Very low	30.2	Very low	160 Å²	160	110.4 Å²	110.4	86%	0.856	63%	0.629	S	S	*	*	S	Bend	trans	32.6	60.4	151.3	-81.5	5.9	0	0	0	119.9
304	S	25.6	Very low	32.5	Very low	76 Å²	76	108.2 Å²	108.2	53%	0.531	62%	0.617	S	S	.	*	S	Bend		-154	130.8	128.1	-89.2	0	0	0	0	111.5	T302 Q1051 Y1052	T302-S304 PolarHBondContact O-N 2.28Å; T302-S304 VanDerWaalsContact O-N 3.08Å; S304-Q1051 VanDerWaalsContact CB-O 3.27Å; S304-Q1051 WeakPolarHBondContact CB-O 3.3Å; S304-Y1052 WeakPolarHBondContact CB-O 3.28Å
305	G	25.5	Very low	35.3	Very low	31 Å²	31	104.2 Å²	104.2	32%	0.32	60%	0.599	S	S	.	*			trans	73.5	92.3	149.8	0	0	0	0	0	120.7	H1053	G305-H1053 VanDerWaalsContact CA-CB 3.4Å; G305-H1053 PolarHBondContact O-CD2 3.18Å
306	I	29.5	Very low	38.5	Very low	154 Å²	154	101.4 Å²	101.4	79%	0.79	58%	0.582	S	S	*	*			trans	-118.1	89.7	140.7	-60.6	-176.6	0	0	0	108.8	S308	I306-S308 PolarHBondContact O-N 2.79Å
307	S	27	Very low	41.8	Very low	20 Å²	20	93.3 Å²	93.3	14%	0.14	54%	0.544	C	S	.	.			trans	-67.8	58.9	160.3	170	0	0	0	0	110.4	V309 R1054	S307-V309 PolarHBondContact O-N 3.4Å; S307-R1054 WeakPolarHBondContact OG-CD 3.08Å; S307-R1054 PolarHBondContact OG-NH1 2.98Å
308	S	28.7	Very low	45.2	Very low	62 Å²	62	89.2 Å²	89.2	43%	0.434	52%	0.516	S	S	.	.			trans	-57.5	112.4	161.2	50.5	0	0	0	0	106.7	I306 N310	I306-S308 PolarHBondContact O-N 2.79Å; S308-N310 PolarHBondContact O-N 3.43Å; S308-N310 PolarHBondContact OG-ND2 3.37Å
309	V	31.4	Very low	48.4	Very low	98 Å²	98	80.8 Å²	80.8	59%	0.594	47%	0.471	S	S	*	.			trans	-77.5	57.9	173.3	-169.8	0	0	0	0	107.6	S307 E311	S307-V309 PolarHBondContact O-N 3.4Å; V309-E311 PolarHBondContact O-N 2.04Å
310	N	28.5	Very low	51.6	Low	105 Å²	105	77.8 Å²	77.8	56%	0.561	44%	0.439	S	S	*	.			trans	-58.1	126.1	168	-77.9	-32.7	0	0	0	106.8	S308 A312	S308-N310 PolarHBondContact O-N 3.43Å; S308-N310 PolarHBondContact OG-ND2 3.37Å; N310-A312 PolarHBondContact O-N 3.48Å
311	E	37.6	Very low	54.8	Low	100 Å²	100	70.1 Å²	70.1	47%	0.467	40%	0.399	S	S	.	.			trans	-61.8	96.9	161.4	-61.1	-166.3	123.6	0	0	107.1	Q110 V309 Y313	Q110-E311 PolarHBondContact NE2-O 2.6Å; V309-E311 PolarHBondContact O-N 2.04Å; E311-Y313 HydrophobicContact CB-CD2 3.8Å; E311-Y313 HydrophobicContact CB-CE2 3.44Å; E311-Y313 VanDerWaalsContact CB-CE2 3.44Å; E311-Y313 HydrophobicContact CG-CE2 4.34Å; E311-Y313 VanDerWaalsContact O-CD2 3.24Å; E311-Y313 WeakPolarHBondContact O-CD2 3.25Å; E311-Y313 PolarHBondContact O-N 2.91Å; E311-Y313 WeakPolarHBondContact OE2-CE2 3.46Å; E311-Y313 VanDerWaalsContact OE2-CZ 3.24Å; E311-Y313 PolarHBondContact OE2-OH 3.5Å
312	A	43.5	Very low	58.1	Low	78 Å²	78	65 Å²	65	65%	0.645	36%	0.363	S	S	*	.			trans	-72.1	69.6	170.9	0	0	0	0	0	108.2	N310 D314	N310-A312 PolarHBondContact O-N 3.48Å; A312-D314 PolarHBondContact O-N 3.41Å; A312-D314 VanDerWaalsContact O-N 3.14Å
313	Y	55.5	Low	61.4	Low	129 Å²	129	60.7 Å²	60.7	51%	0.506	34%	0.338	S	S	.	.			trans	-45.7	123.1	171.9	-79.4	-89.7	0	0	0	107.9	E311 Y315	E311-Y313 HydrophobicContact CB-CD2 3.8Å; E311-Y313 HydrophobicContact CB-CE2 3.44Å; E311-Y313 VanDerWaalsContact CB-CE2 3.44Å; E311-Y313 HydrophobicContact CG-CE2 4.34Å; E311-Y313 VanDerWaalsContact O-CD2 3.24Å; E311-Y313 WeakPolarHBondContact O-CD2 3.25Å; E311-Y313 PolarHBondContact O-N 2.91Å; E311-Y313 WeakPolarHBondContact OE2-CE2 3.46Å; E311-Y313 VanDerWaalsContact OE2-CZ 3.24Å; E311-Y313 PolarHBondContact OE2-OH 3.5Å; Y313-Y315 VanDerWaalsContact C-N 3.26Å; Y313-Y315 WeakPolarHBondContact O-CD2 3.47Å; Y313-Y315 WeakPolarHBondContact O-CE2 3.26Å; Y313-Y315 PolarHBondContact O-N 3.3Å
314	D	73.3	Confident	64.5	Low	71 Å²	71	55.2 Å²	55.2	38%	0.38	31%	0.309	S	S	.	.			trans	-72.3	86.5	-173.3	-167.2	28.8	0	0	0	109.5	A312 R316 R421	A312-D314 PolarHBondContact O-N 3.41Å; A312-D314 VanDerWaalsContact O-N 3.14Å; D314-R316 PolarHBondContact O-N 2.98Å; D314-R316 IonicContact OD1-CZ 2.7Å; D314-R316 VanDerWaalsContact OD1-CZ 3.26Å; D314-R316 IonicContact OD1-NE 3.74Å; D314-R316 PolarHBondContact OD1-NE 3.31Å; D314-R316 IonicContact OD1-NH2 3.72Å; D314-R316 PolarHBondContact OD1-NH2 2.93Å; D314-R421 IonicContact OD1-NH1 2.68Å; D314-R421 PolarHBondContact OD1-NH1 2.64Å; D314-R421 IonicContact OD2-CZ 2.79Å; D314-R421 IonicContact OD2-NE 2.99Å; D314-R421 IonicContact OD2-NH1 2.64Å; D314-R421 PolarHBondContact OD2-NH1 2.78Å
315	Y	85.9	Confident	67.7	Low	41 Å²	41	61.1 Å²	61.1	16%	0.161	32%	0.319	C	S	.	.			trans	-64.6	4.3	-179.9	-57.6	-59.7	0	0	0	113.4	V102 D103 L106 K107 Q110 Y313	V102-Y315 CarbonylContact C-O 3.59Å; V102-Y315 WeakPolarHBondContact CA-O 3.22Å; D103-Y315 PolarHBondContact N-O 3.29Å; L106-Y315 HydrophobicContact CB-CD1 3.56Å; L106-Y315 HydrophobicContact CB-CE1 3.8Å; K107-Y315 HydrophobicContact CB-CD2 4.04Å; K107-Y315 HydrophobicContact CB-CE2 4.37Å; K107-Y315 HydrophobicContact CB-CG 4.16Å; K107-Y315 HydrophobicContact CG-CD2 4.26Å; K107-Y315 HydrophobicContact CG-CE2 4.42Å; Q110-Y315 WeakPolarHBondContact CG-OH 3.41Å; Q110-Y315 PolarHBondContact OE1-OH 3.48Å; Y313-Y315 VanDerWaalsContact C-N 3.26Å; Y313-Y315 WeakPolarHBondContact O-CD2 3.47Å; Y313-Y315 WeakPolarHBondContact O-CE2 3.26Å; Y313-Y315 PolarHBondContact O-N 3.3Å
316	R	93.9	Very high	70.6	Confident	99 Å²	99	61.9 Å²	61.9	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.4	-178.3	-71.1	177	-77.8	-171.2	-0.3	111.5	I87 E100 A101 D314 L366 R421	I87-R316 HydrophobicContact CD1-CG 4.3Å; E100-R316 WeakPolarHBondContact OE1-CD 3.2Å; E100-R316 IonicContact OE1-NH1 3.48Å; A101-R316 CarbonylContact O-C 3.59Å; A101-R316 VanDerWaalsContact O-CA 3.25Å; A101-R316 WeakPolarHBondContact O-CA 3.22Å; D314-R316 PolarHBondContact O-N 2.98Å; D314-R316 IonicContact OD1-CZ 2.7Å; D314-R316 VanDerWaalsContact OD1-CZ 3.26Å; D314-R316 IonicContact OD1-NE 3.74Å; D314-R316 PolarHBondContact OD1-NE 3.31Å; D314-R316 IonicContact OD1-NH2 3.72Å; D314-R316 PolarHBondContact OD1-NH2 2.93Å; R316-L366 HydrophobicContact CB-CD2 3.87Å; R316-R421 VanDerWaalsContact CZ-NH1 3.28Å
317	V	96	Very high	73.3	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.03	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.1	-177.5	-56.8	0	0	0	0	109.7	W84 A101 I319 F351 V363 M364	W84-V317 HydrophobicContact CG-CG2 4.27Å; A101-V317 HydrophobicContact CB-CG2 3.96Å; A101-V317 PolarHBondContact N-O 2.78Å; A101-V317 PolarHBondContact O-N 3.26Å; V317-I319 HydrophobicContact CG2-CG1 4.36Å; V317-F351 HydrophobicContact CB-CD2 4.22Å; V317-F351 HydrophobicContact CB-CE2 4.34Å; V317-F351 HydrophobicContact CG1-CD2 3.63Å; V317-F351 HydrophobicContact CG1-CE2 3.59Å; V317-V363 HydrophobicContact CB-CG1 3.74Å; V317-V363 HydrophobicContact CG1-CG1 4.34Å; V317-V363 HydrophobicContact CG2-CG1 3.46Å; V317-V363 VanDerWaalsContact CG2-CG1 3.46Å; V317-M364 WeakPolarHBondContact CA-O 3.47Å
318	A	97.8	Very high	76.1	Confident	9 Å²	9	62.5 Å²	62.5	7%	0.074	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.4	166.2	0	0	0	0	0	108.8	Y99 V363 M364 L366	Y99-A318 WeakPolarHBondContact O-CA 3.3Å; A318-V363 WeakPolarHBondContact O-CA 3.37Å; A318-M364 HydrophobicContact CB-CG 4.08Å; A318-M364 PolarHBondContact N-O 3.28Å; A318-M364 PolarHBondContact O-N 2.79Å; A318-L366 HydrophobicContact CB-CD1 3.95Å
319	I	97.8	Very high	79	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.7	165.4	-51.9	-176.5	0	0	0	107.5	L74 V80 W84 V86 I98 Y99 A101 V317 M362 V363	L74-I319 HydrophobicContact CD1-CG2 4.47Å; V80-I319 HydrophobicContact CB-CD1 4.1Å; V80-I319 HydrophobicContact CG2-CD1 3.81Å; W84-I319 HydrophobicContact CB-CD1 3.84Å; V86-I319 HydrophobicContact CG2-CD1 4.33Å; I98-I319 CarbonylContact C-O 3.36Å; I98-I319 WeakPolarHBondContact CA-O 3.28Å; Y99-I319 PolarHBondContact N-O 3.33Å; Y99-I319 PolarHBondContact O-N 3.33Å; A101-I319 HydrophobicContact CB-CD1 3.54Å; A101-I319 HydrophobicContact CB-CG1 3.84Å; V317-I319 HydrophobicContact CG2-CG1 4.36Å; I319-M362 CarbonylContact C-O 3.13Å; I319-M362 WeakPolarHBondContact CA-O 3.2Å; I319-V363 HydrophobicContact CG1-CG1 4.24Å; I319-V363 HydrophobicContact CG1-CG2 4.15Å; I319-V363 HydrophobicContact CG2-CG2 4.41Å
320	K	97.5	Very high	82	Confident	6 Å²	6	59.9 Å²	59.9	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.8	165.9	-174.6	174.1	178.7	-169.4	0	108.5	F95 E97 I98 L331 E334 Y361 M362 M364 D437	F95-K320 WeakPolarHBondContact O-CE 3.39Å; E97-K320 CarbonylContact O-C 3.53Å; E97-K320 WeakPolarHBondContact O-CA 3.29Å; I98-K320 HydrophobicContact CD1-CD 4.37Å; I98-K320 HydrophobicContact CG1-CB 4.23Å; I98-K320 HydrophobicContact CG1-CD 4.24Å; I98-K320 HydrophobicContact CG1-CG 3.93Å; K320-L331 HydrophobicContact CB-CD1 4.14Å; K320-L331 HydrophobicContact CD-CD1 3.7Å; K320-L331 HydrophobicContact CG-CD1 3.67Å; K320-L331 WeakPolarHBondContact O-CD2 3.4Å; K320-E334 IonicContact NZ-OE1 3.16Å; K320-E334 PolarHBondContact NZ-OE1 3.04Å; K320-E334 IonicContact NZ-OE2 3.31Å; K320-E334 PolarHBondContact NZ-OE2 2.96Å; K320-Y361 CarbonylContact O-C 3.45Å; K320-Y361 VanDerWaalsContact O-CA 3.3Å; K320-Y361 WeakPolarHBondContact O-CA 3.44Å; K320-M362 HydrophobicContact CB-CG 3.97Å; K320-M362 PolarHBondContact N-O 2.75Å; K320-M362 PolarHBondContact O-N 3.37Å; K320-M364 HydrophobicContact CB-CE 4.1Å; K320-D437 IonicContact NZ-OD1 3.64Å; K320-D437 PolarHBondContact NZ-OD1 3.44Å
321	A	96.8	Very high	85.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.2	-177	0	0	0	0	0	111.6	G96 E97 F359 N360	G96-A321 CarbonylContact C-O 3.59Å; G96-A321 WeakPolarHBondContact CA-O 3.33Å; E97-A321 PolarHBondContact N-O 2.94Å; E97-A321 PolarHBondContact O-N 3.44Å; A321-F359 HydrophobicContact CB-CD2 4.16Å; A321-N360 CarbonylContact C-O 3.6Å; A321-N360 VanDerWaalsContact CA-O 3.24Å; A321-N360 WeakPolarHBondContact CA-O 3.44Å
322	E	95.7	Very high	87.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.6	175.7	63.6	176.9	-173	0	0	109.9	Q329 V330 L331 F359 N360	E322-Q329 WeakPolarHBondContact OE1-CB 3.46Å; E322-Q329 WeakPolarHBondContact OE2-CA 3.05Å; E322-V330 PolarHBondContact OE2-N 3.19Å; E322-L331 HydrophobicContact CG-CB 3.78Å; E322-L331 HydrophobicContact CG-CD2 4.19Å; E322-L331 VanDerWaalsContact OE1-CB 3.3Å; E322-L331 WeakPolarHBondContact OE1-CB 3.29Å; E322-L331 PolarHBondContact OE1-N 2.97Å; E322-L331 WeakPolarHBondContact OE2-CB 3.26Å; E322-L331 PolarHBondContact OE2-N 3.31Å; E322-F359 CarbonylContact O-C 3.53Å; E322-F359 WeakPolarHBondContact O-CA 3.27Å; E322-F359 WeakPolarHBondContact O-CB 3.32Å; E322-N360 HydrophobicContact CG-CB 3.73Å; E322-N360 PolarHBondContact N-O 3.03Å; E322-N360 PolarHBondContact O-N 3.18Å; E322-N360 PolarHBondContact OE1-ND2 2.71Å
323	S	95.1	Very high	90.2	Very high	30 Å²	30	60.4 Å²	60.4	21%	0.21	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	136.9	-179.2	-178.6	0	0	0	0	110.8	R325 Q326	S323-R325 PolarHBondContact O-N 3.41Å; S323-R325 VanDerWaalsContact O-N 3.14Å; S323-R325 PolarHBondContact OG-N 3.15Å; S323-Q326 WeakPolarHBondContact O-CB 3.36Å; S323-Q326 PolarHBondContact O-N 3.46Å
324	N	92.8	Very high	92.1	Very high	45 Å²	45	54.5 Å²	54.5	24%	0.241	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.3	171.9	-72.8	-8.7	0	0	0	112	Q326 Q329 N356 A357 K358 F359 N360	N324-Q326 VanDerWaalsContact C-N 3.33Å; N324-Q329 PolarHBondContact O-NE2 3.19Å; N324-N356 PolarHBondContact ND2-O 3.4Å; N324-A357 PolarHBondContact ND2-O 2.67Å; N324-K358 WeakPolarHBondContact CB-O 3.5Å; N324-K358 VanDerWaalsContact CG-C 3.48Å; N324-K358 PolarHBondContact N-O 2.84Å; N324-K358 PolarHBondContact ND2-N 3.33Å; N324-F359 PolarHBondContact ND2-N 3.1Å; N324-F359 VanDerWaalsContact OD1-CA 3.29Å; N324-F359 WeakPolarHBondContact OD1-CA 3.24Å; N324-N360 PolarHBondContact OD1-N 3.05Å; N324-N360 PolarHBondContact OD1-OD1 2.93Å
325	R	91.2	Very high	93.3	Very high	200 Å²	200	51.8 Å²	51.8	76%	0.755	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.8	176.7	-60	179.2	176.7	176.2	-4.1	113.2	D68 S323 A327	D68-R325 IonicContact OD2-NH1 3.58Å; S323-R325 PolarHBondContact O-N 3.41Å; S323-R325 VanDerWaalsContact O-N 3.14Å; S323-R325 PolarHBondContact OG-N 3.15Å; R325-A327 PolarHBondContact O-N 3.27Å
326	Q	87.7	Confident	93.7	Very high	48 Å²	48	52 Å²	52	22%	0.224	26%	0.257	C	S	.	.			trans	-70.6	119.6	-178.5	-171.3	167.5	-17.7	0	0	109.9	G94 S323 N324 K328	G94-Q326 PolarHBondContact O-NE2 3.36Å; S323-Q326 WeakPolarHBondContact O-CB 3.36Å; S323-Q326 PolarHBondContact O-N 3.46Å; N324-Q326 VanDerWaalsContact C-N 3.33Å; Q326-K328 PolarHBondContact O-N 2.95Å
327	A	85.4	Confident	93.9	Very high	116 Å²	116	47.3 Å²	47.3	96%	0.959	24%	0.239	S	C	*	.	S	Bend	trans	-58.6	-19.7	-173	0	0	0	0	0	114.7	R325	R325-A327 PolarHBondContact O-N 3.27Å
328	K	85.2	Confident	93.9	Very high	70 Å²	70	47.1 Å²	47.1	30%	0.304	24%	0.238	S	C	.	.	S	Bend	trans	-131.7	90	175.1	-178.5	175.8	166.2	-71.9	0	110.3	Q326 V330	Q326-K328 PolarHBondContact O-N 2.95Å; K328-V330 HydrophobicContact CG-CG1 4.24Å
329	Q	90.9	Very high	93.9	Very high	96 Å²	96	54 Å²	54	45%	0.449	26%	0.262	S	S	.	.			trans	-70.9	128	170.4	-68.7	176.9	23.7	0	0	109.8	E322 N324 N360	E322-Q329 WeakPolarHBondContact OE1-CB 3.46Å; E322-Q329 WeakPolarHBondContact OE2-CA 3.05Å; N324-Q329 PolarHBondContact O-NE2 3.19Å; Q329-N360 PolarHBondContact OE1-ND2 2.92Å
330	V	93.8	Very high	93.8	Very high	10 Å²	10	61.1 Å²	61.1	6%	0.061	29%	0.289	C	S	.	.			trans	-119.7	-22.5	179.1	-65	0	0	0	0	113	F95 E322 K328 R332 M333 E334	F95-V330 HydrophobicContact CB-CG2 3.88Å; F95-V330 HydrophobicContact CD1-CG1 4.14Å; F95-V330 HydrophobicContact CD1-CG2 3.9Å; F95-V330 HydrophobicContact CG-CG2 4.2Å; E322-V330 PolarHBondContact OE2-N 3.19Å; K328-V330 HydrophobicContact CG-CG1 4.24Å; V330-R332 PolarHBondContact O-N 3.11Å; V330-R332 VanDerWaalsContact O-N 3.1Å; V330-M333 WeakPolarHBondContact O-CA 3.41Å; V330-M333 WeakPolarHBondContact O-CB 3.34Å; V330-M333 PolarHBondContact O-N 2.85Å; V330-E334 WeakPolarHBondContact CG2-OE1 3.32Å; V330-E334 PolarHBondContact O-N 3.34Å; V330-E334 VanDerWaalsContact O-N 3.17Å
331	L	94.7	Very high	93.8	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-26.2	-172.6	-154.7	72.9	0	0	0	112.7	K320 E322 M333 E334 V335 N360 M362	K320-L331 HydrophobicContact CB-CD1 4.14Å; K320-L331 HydrophobicContact CD-CD1 3.7Å; K320-L331 HydrophobicContact CG-CD1 3.67Å; K320-L331 WeakPolarHBondContact O-CD2 3.4Å; E322-L331 HydrophobicContact CG-CB 3.78Å; E322-L331 HydrophobicContact CG-CD2 4.19Å; E322-L331 VanDerWaalsContact OE1-CB 3.3Å; E322-L331 WeakPolarHBondContact OE1-CB 3.29Å; E322-L331 PolarHBondContact OE1-N 2.97Å; E322-L331 WeakPolarHBondContact OE2-CB 3.26Å; E322-L331 PolarHBondContact OE2-N 3.31Å; L331-M333 VanDerWaalsContact C-N 3.33Å; L331-M333 PolarHBondContact O-N 2.92Å; L331-E334 PolarHBondContact O-N 2.72Å; L331-V335 WeakPolarHBondContact O-CB 3.42Å; L331-V335 VanDerWaalsContact O-CG2 3.32Å; L331-V335 WeakPolarHBondContact O-CG2 3.35Å; L331-V335 PolarHBondContact O-N 2.8Å; L331-N360 HydrophobicContact CD2-CB 4.27Å; L331-M362 HydrophobicContact CD1-CG 3.87Å; L331-M362 HydrophobicContact CD1-SD 3.46Å; L331-M362 WeakPolarHBondContact CD1-SD 3.11Å; L331-M362 HydrophobicContact CD2-CB 4.42Å; L331-M362 HydrophobicContact CD2-CG 4.22Å; L331-M362 HydrophobicContact CG-CG 4.12Å; L331-M362 HydrophobicContact CG-SD 3.95Å
332	R	93.6	Very high	93.8	Very high	216 Å²	216	64 Å²	64	82%	0.815	30%	0.302	S	S	*	.	H	α-helix	trans	-59.8	-39.8	170	-177.1	179.1	174.6	-167.4	-3.3	112.5	V330 A336	V330-R332 PolarHBondContact O-N 3.11Å; V330-R332 VanDerWaalsContact O-N 3.1Å; R332-A336 PolarHBondContact O-N 3.09Å
333	M	93.6	Very high	93.6	Very high	74 Å²	74	67.5 Å²	67.5	37%	0.365	34%	0.339	S	S	.	.	H	α-helix	trans	-71.9	-42.8	175.1	-176.2	60.4	68.8	0	0	110.5	V330 L331 V335 A336 V337 F407 P443	V330-M333 WeakPolarHBondContact O-CA 3.41Å; V330-M333 WeakPolarHBondContact O-CB 3.34Å; V330-M333 PolarHBondContact O-N 2.85Å; L331-M333 VanDerWaalsContact C-N 3.33Å; L331-M333 PolarHBondContact O-N 2.92Å; M333-V335 VanDerWaalsContact C-N 3.34Å; M333-V335 PolarHBondContact O-N 2.95Å; M333-A336 WeakPolarHBondContact O-CA 3.32Å; M333-A336 WeakPolarHBondContact O-CB 3.41Å; M333-A336 PolarHBondContact O-N 3.08Å; M333-V337 HydrophobicContact CG-CG2 4.39Å; M333-V337 WeakPolarHBondContact O-CG2 3.07Å; M333-V337 PolarHBondContact O-N 3.27Å; M333-V337 HydrophobicContact SD-CG2 4.36Å; M333-F407 HydrophobicContact SD-CE1 3.97Å; M333-P443 HydrophobicContact CE-CG 4.5Å
334	E	96.3	Very high	93.5	Very high	4 Å²	4	71 Å²	71	2%	0.019	35%	0.35	C	S	.	.	H	α-helix	trans	-59.1	-44.4	177.4	-63.5	-173.3	-131.6	0	0	112.5	K320 V330 L331 A336 V337 L338 M362 F438 G439	K320-E334 IonicContact NZ-OE1 3.16Å; K320-E334 PolarHBondContact NZ-OE1 3.04Å; K320-E334 IonicContact NZ-OE2 3.31Å; K320-E334 PolarHBondContact NZ-OE2 2.96Å; V330-E334 WeakPolarHBondContact CG2-OE1 3.32Å; V330-E334 PolarHBondContact O-N 3.34Å; V330-E334 VanDerWaalsContact O-N 3.17Å; L331-E334 PolarHBondContact O-N 2.72Å; E334-A336 VanDerWaalsContact C-N 3.31Å; E334-A336 PolarHBondContact O-N 3.32Å; E334-V337 PolarHBondContact O-N 3.01Å; E334-L338 VanDerWaalsContact O-CB 3.23Å; E334-L338 WeakPolarHBondContact O-CB 3.4Å; E334-L338 PolarHBondContact O-N 3.12Å; E334-M362 HydrophobicContact CB-SD 4.08Å; E334-F438 HydrophobicContact CB-CB 4.43Å; E334-F438 HydrophobicContact CG-CB 4.11Å; E334-G439 VanDerWaalsContact OE1-CA 3.25Å; E334-G439 WeakPolarHBondContact OE1-CA 3.48Å
335	V	96.9	Very high	93.5	Very high	15 Å²	15	72 Å²	72	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-63.6	-35.9	174.1	168.7	0	0	0	0	111.4	L331 M333 R339 C353 M362	L331-V335 WeakPolarHBondContact O-CB 3.42Å; L331-V335 VanDerWaalsContact O-CG2 3.32Å; L331-V335 WeakPolarHBondContact O-CG2 3.35Å; L331-V335 PolarHBondContact O-N 2.8Å; M333-V335 VanDerWaalsContact C-N 3.34Å; M333-V335 PolarHBondContact O-N 2.95Å; V335-R339 HydrophobicContact CG1-CG 4.37Å; V335-R339 WeakPolarHBondContact O-CB 3.42Å; V335-R339 WeakPolarHBondContact O-CD 3.46Å; V335-R339 WeakPolarHBondContact O-CG 3.37Å; V335-R339 PolarHBondContact O-N 3.28Å; V335-C353 HydrophobicContact CG1-CB 4.23Å; V335-C353 HydrophobicContact CG2-CB 3.93Å; V335-M362 HydrophobicContact CG2-CB 3.65Å; V335-M362 HydrophobicContact CG2-CE 4.27Å; V335-M362 HydrophobicContact CG2-CG 4.43Å; V335-M362 HydrophobicContact CG2-SD 4.06Å
336	A	95.5	Very high	93.7	Very high	46 Å²	46	63 Å²	63	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-68	-46.3	176.2	0	0	0	0	0	112.2	R332 M333 E334 R340	R332-A336 PolarHBondContact O-N 3.09Å; M333-A336 WeakPolarHBondContact O-CA 3.32Å; M333-A336 WeakPolarHBondContact O-CB 3.41Å; M333-A336 PolarHBondContact O-N 3.08Å; E334-A336 VanDerWaalsContact C-N 3.31Å; E334-A336 PolarHBondContact O-N 3.32Å; A336-R340 PolarHBondContact O-N 3.14Å; A336-R340 VanDerWaalsContact O-N 3.13Å
337	V	97.4	Very high	94.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-52.2	175.1	175.5	0	0	0	0	110.3	M333 E334 R339 R340 L341 L402 F407 F438 A441	M333-V337 HydrophobicContact CG-CG2 4.39Å; M333-V337 WeakPolarHBondContact O-CG2 3.07Å; M333-V337 PolarHBondContact O-N 3.27Å; M333-V337 HydrophobicContact SD-CG2 4.36Å; E334-V337 PolarHBondContact O-N 3.01Å; V337-R339 VanDerWaalsContact C-N 3.32Å; V337-R339 PolarHBondContact O-N 3.43Å; V337-R340 WeakPolarHBondContact O-CB 3.47Å; V337-R340 PolarHBondContact O-N 2.94Å; V337-L341 HydrophobicContact CG1-CD1 3.74Å; V337-L341 WeakPolarHBondContact O-CG 3.24Å; V337-L341 PolarHBondContact O-N 3.3Å; V337-L341 VanDerWaalsContact O-N 3.17Å; V337-L402 HydrophobicContact CG1-CD1 3.67Å; V337-F407 HydrophobicContact CG2-CD1 3.55Å; V337-F407 HydrophobicContact CG2-CD2 4.27Å; V337-F407 HydrophobicContact CG2-CE1 3.55Å; V337-F407 HydrophobicContact CG2-CE2 4.29Å; V337-F407 HydrophobicContact CG2-CG 3.92Å; V337-F407 HydrophobicContact CG2-CZ 3.95Å; V337-F438 HydrophobicContact CB-CB 4.17Å; V337-F438 HydrophobicContact CB-CG 4.24Å; V337-F438 HydrophobicContact CG1-CB 4.05Å; V337-F438 HydrophobicContact CG1-CD1 3.61Å; V337-F438 HydrophobicContact CG1-CD2 4.21Å; V337-F438 HydrophobicContact CG1-CE1 4.12Å; V337-F438 HydrophobicContact CG1-CG 3.66Å; V337-F438 HydrophobicContact CG2-CB 4.46Å; V337-A441 HydrophobicContact CG2-CB 4.12Å
338	L	97.2	Very high	94.6	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-36.2	-175.9	-166.6	60.4	0	0	0	112.1	E334 L341 Q342 I347 C348 L350 M362 M364 F438	E334-L338 VanDerWaalsContact O-CB 3.23Å; E334-L338 WeakPolarHBondContact O-CB 3.4Å; E334-L338 PolarHBondContact O-N 3.12Å; L338-L341 PolarHBondContact O-N 2.93Å; L338-Q342 WeakPolarHBondContact O-CG 3.28Å; L338-Q342 PolarHBondContact O-N 3.17Å; L338-Q342 PolarHBondContact O-NE2 2.81Å; L338-I347 HydrophobicContact CD1-CG2 3.58Å; L338-C348 HydrophobicContact CD1-CB 4.19Å; L338-C348 VanDerWaalsContact CD1-O 3.27Å; L338-C348 WeakPolarHBondContact CD1-O 3.24Å; L338-C348 HydrophobicContact CD2-CB 4.33Å; L338-L350 HydrophobicContact CD2-CB 4.21Å; L338-L350 HydrophobicContact CD2-CD1 4.17Å; L338-L350 HydrophobicContact CG-CB 4.42Å; L338-M362 HydrophobicContact CB-CE 4.41Å; L338-M362 HydrophobicContact CD2-CE 3.39Å; L338-M364 HydrophobicContact CD2-CB 4.3Å; L338-M364 HydrophobicContact CD2-SD 4Å; L338-F438 HydrophobicContact CD1-CE2 3.97Å
339	R	96.6	Very high	95.1	Very high	153 Å²	153	57.3 Å²	57.3	58%	0.577	28%	0.277	S	S	*	.	H	α-helix	trans	-60.3	-42	170.1	-79.3	172.4	-177.1	-171.6	3.2	112.2	V335 V337 L341 Q342 L350 C353	V335-R339 HydrophobicContact CG1-CG 4.37Å; V335-R339 WeakPolarHBondContact O-CB 3.42Å; V335-R339 WeakPolarHBondContact O-CD 3.46Å; V335-R339 WeakPolarHBondContact O-CG 3.37Å; V335-R339 PolarHBondContact O-N 3.28Å; V337-R339 VanDerWaalsContact C-N 3.32Å; V337-R339 PolarHBondContact O-N 3.43Å; R339-L341 PolarHBondContact O-N 3.42Å; R339-Q342 PolarHBondContact O-N 3.23Å; R339-L350 HydrophobicContact CG-CD2 3.61Å; R339-C353 PolarHBondContact NH2-SG 3.34Å
340	R	95.8	Very high	95.3	Very high	150 Å²	150	53.6 Å²	53.6	57%	0.566	26%	0.26	S	S	*	.	H	α-helix	trans	-67.9	-22.4	-179.4	-155	63.9	159.5	102.2	-13.1	113	A336 V337 A405 F407	A336-R340 PolarHBondContact O-N 3.14Å; A336-R340 VanDerWaalsContact O-N 3.13Å; V337-R340 WeakPolarHBondContact O-CB 3.47Å; V337-R340 PolarHBondContact O-N 2.94Å; R340-A405 HydrophobicContact CG-CB 4.26Å; R340-F407 HydrophobicContact CB-CE2 4.26Å; R340-F407 HydrophobicContact CG-CE2 4.27Å
341	L	97.1	Very high	95.4	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	2.5	-177.2	-64.6	170.8	0	0	0	114.5	V337 L338 R339 G343 K344 I347 S401 L402 A405 F438	V337-L341 HydrophobicContact CG1-CD1 3.74Å; V337-L341 WeakPolarHBondContact O-CG 3.24Å; V337-L341 PolarHBondContact O-N 3.3Å; V337-L341 VanDerWaalsContact O-N 3.17Å; L338-L341 PolarHBondContact O-N 2.93Å; R339-L341 PolarHBondContact O-N 3.42Å; L341-G343 PolarHBondContact O-N 3.03Å; L341-K344 HydrophobicContact CD2-CG 4.44Å; L341-K344 WeakPolarHBondContact O-CB 3.43Å; L341-K344 PolarHBondContact O-N 3.2Å; L341-K344 VanDerWaalsContact O-N 3.09Å; L341-I347 HydrophobicContact CB-CD1 4.42Å; L341-I347 HydrophobicContact CB-CG1 4.2Å; L341-I347 HydrophobicContact CB-CG2 3.82Å; L341-I347 HydrophobicContact CD1-CD1 3.86Å; L341-I347 HydrophobicContact CD1-CG1 4.49Å; L341-S401 VanDerWaalsContact CD2-O 3.24Å; L341-S401 WeakPolarHBondContact CD2-O 3.47Å; L341-L402 HydrophobicContact CD1-CD1 3.78Å; L341-A405 HydrophobicContact CD2-CB 3.51Å; L341-A405 HydrophobicContact CG-CB 4.28Å; L341-F438 HydrophobicContact CD1-CE1 4.31Å; L341-F438 HydrophobicContact CD1-CZ 4.27Å
342	Q	96.6	Very high	95.4	Very high	65 Å²	65	55.5 Å²	55.5	30%	0.304	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	132.2	178.4	-67.6	-55.9	-80.1	0	0	111.5	L338 R339 C348	L338-Q342 WeakPolarHBondContact O-CG 3.28Å; L338-Q342 PolarHBondContact O-N 3.17Å; L338-Q342 PolarHBondContact O-NE2 2.81Å; R339-Q342 PolarHBondContact O-N 3.23Å; Q342-C348 PolarHBondContact NE2-O 3.23Å
343	G	91.6	Very high	95.5	Very high	74 Å²	74	46.8 Å²	46.8	76%	0.763	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	3.1	-175.6	0	0	0	0	0	114.9	L341	L341-G343 PolarHBondContact O-N 3.03Å
344	K	94.5	Very high	95.6	Very high	102 Å²	102	44.8 Å²	44.8	44%	0.443	24%	0.243	S	C	.	.			trans	-84.2	147.8	165.1	-65.4	-64.2	-174.9	175.3	0	110.7	L341 I347	L341-K344 HydrophobicContact CD2-CG 4.44Å; L341-K344 WeakPolarHBondContact O-CB 3.43Å; L341-K344 PolarHBondContact O-N 3.2Å; L341-K344 VanDerWaalsContact O-N 3.09Å; K344-I347 HydrophobicContact CB-CG1 4.18Å
345	P	91.9	Very high	95.6	Very high	67 Å²	67	52.5 Å²	52.5	44%	0.435	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	164.6	169.3	31.9	-36.9	0	0	0	110.2	I347 T397	P345-I347 WeakPolarHBondContact O-CG1 3.09Å; P345-I347 PolarHBondContact O-N 3.38Å; P345-T397 HydrophobicContact CG-CG2 4.44Å
346	N	95.6	Very high	95.3	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.053	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	22.3	176.6	-46.2	107.9	0	0	0	114.9	Q394 T397 A398 V433 T434 L435	N346-Q394 PolarHBondContact ND2-OE1 2.95Å; N346-T397 WeakPolarHBondContact OD1-CG2 3.45Å; N346-A398 HydrophobicContact CB-CB 3.65Å; N346-V433 VanDerWaalsContact CA-O 3.27Å; N346-V433 WeakPolarHBondContact CA-O 3.08Å; N346-V433 WeakPolarHBondContact CB-O 3.02Å; N346-V433 PolarHBondContact ND2-O 2.91Å; N346-T434 CarbonylContact O-C 3.55Å; N346-T434 WeakPolarHBondContact O-CA 3.36Å; N346-L435 PolarHBondContact O-N 3.31Å
347	I	96.9	Very high	95.1	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.087	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-132.5	136.6	-175.5	-66.5	-64.6	0	0	0	111.6	L338 L341 K344 P345 R349 L435 F438	L338-I347 HydrophobicContact CD1-CG2 3.58Å; L341-I347 HydrophobicContact CB-CD1 4.42Å; L341-I347 HydrophobicContact CB-CG1 4.2Å; L341-I347 HydrophobicContact CB-CG2 3.82Å; L341-I347 HydrophobicContact CD1-CD1 3.86Å; L341-I347 HydrophobicContact CD1-CG1 4.49Å; K344-I347 HydrophobicContact CB-CG1 4.18Å; P345-I347 WeakPolarHBondContact O-CG1 3.09Å; P345-I347 PolarHBondContact O-N 3.38Å; I347-R349 PolarHBondContact O-N 3.23Å; I347-L435 HydrophobicContact CD1-CB 4.37Å; I347-F438 HydrophobicContact CD1-CZ 4Å
348	C	95.7	Very high	94.8	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.02	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-58.5	134.4	174.3	-75.3	0	0	0	0	112.8	L338 Q342 M364 Q367 T434	L338-C348 HydrophobicContact CD1-CB 4.19Å; L338-C348 VanDerWaalsContact CD1-O 3.27Å; L338-C348 WeakPolarHBondContact CD1-O 3.24Å; L338-C348 HydrophobicContact CD2-CB 4.33Å; Q342-C348 PolarHBondContact NE2-O 3.23Å; C348-M364 HydrophobicContact CB-CB 4.22Å; C348-M364 HydrophobicContact CB-CG 4.45Å; C348-M364 HydrophobicContact CB-SD 4.11Å; C348-Q367 PolarHBondContact SG-NE2 3.13Å; C348-Q367 VanDerWaalsContact SG-NE2 3.38Å; C348-T434 HydrophobicContact CB-CG2 4.49Å
349	R	94.7	Very high	94.7	Very high	96 Å²	96	65.2 Å²	65.2	36%	0.362	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-73.6	131.8	167.5	178.8	174.4	165.6	-176.7	-9.7	109.8	N141 I347 F351 M364 T365	N141-R349 PolarHBondContact OD1-NE 3.2Å; N141-R349 VanDerWaalsContact OD1-NE 3.16Å; N141-R349 PolarHBondContact OD1-NH2 2.88Å; I347-R349 PolarHBondContact O-N 3.23Å; R349-F351 HydrophobicContact CG-CD1 4.46Å; R349-F351 HydrophobicContact CG-CE1 4.15Å; R349-M364 CarbonylContact O-C 3.54Å; R349-M364 WeakPolarHBondContact O-CA 3.47Å; R349-M364 VanDerWaalsContact O-CB 3.27Å; R349-M364 WeakPolarHBondContact O-CB 3.22Å; R349-T365 WeakPolarHBondContact CB-OG1 3.36Å; R349-T365 PolarHBondContact N-OG1 2.92Å; R349-T365 PolarHBondContact O-N 3.01Å
350	L	96.2	Very high	94.7	Very high	18 Å²	18	59 Å²	59	9%	0.094	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.2	173.3	-176.9	70.7	0	0	0	109.2	N141 L338 R339 G352 M362	N141-L350 PolarHBondContact ND2-O 3.06Å; L338-L350 HydrophobicContact CD2-CB 4.21Å; L338-L350 HydrophobicContact CD2-CD1 4.17Å; L338-L350 HydrophobicContact CG-CB 4.42Å; R339-L350 HydrophobicContact CG-CD2 3.61Å; L350-G352 WeakPolarHBondContact CD1-O 3.23Å; L350-M362 HydrophobicContact CD1-CB 4.39Å; L350-M362 HydrophobicContact CD1-CE 4.18Å
351	F	94.7	Very high	94.8	Very high	38 Å²	38	52.6 Å²	52.6	17%	0.167	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-30.3	174.5	-61.2	-59.7	0	0	0	112.5	W84 V317 R349 V363	W84-F351 HydrophobicContact CZ2-CB 4.32Å; V317-F351 HydrophobicContact CB-CD2 4.22Å; V317-F351 HydrophobicContact CB-CE2 4.34Å; V317-F351 HydrophobicContact CG1-CD2 3.63Å; V317-F351 HydrophobicContact CG1-CE2 3.59Å; R349-F351 HydrophobicContact CG-CD1 4.46Å; R349-F351 HydrophobicContact CG-CE1 4.15Å; F351-V363 HydrophobicContact CB-CB 4.49Å; F351-V363 HydrophobicContact CB-CG1 4.34Å; F351-V363 HydrophobicContact CD2-CG1 4.43Å; F351-V363 PolarHBondContact N-O 2.76Å
352	G	94.5	Very high	94.8	Very high	16 Å²	16	52.6 Å²	52.6	17%	0.165	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	170.3	-178.3	0	0	0	0	0	113.7	L350 V363	L350-G352 WeakPolarHBondContact CD1-O 3.23Å; G352-V363 PolarHBondContact N-O 2.89Å; G352-V363 PolarHBondContact O-N 2.58Å
353	C	96.8	Very high	94.9	Very high	32 Å²	32	49.5 Å²	49.5	22%	0.216	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	165.4	173.8	47.1	0	0	0	0	109.7	V335 R339 Y361 M362	V335-C353 HydrophobicContact CG1-CB 4.23Å; V335-C353 HydrophobicContact CG2-CB 3.93Å; R339-C353 PolarHBondContact NH2-SG 3.34Å; C353-Y361 CarbonylContact C-O 3.58Å; C353-Y361 WeakPolarHBondContact CA-O 3.48Å; C353-Y361 WeakPolarHBondContact CB-O 3.36Å; C353-M362 HydrophobicContact CB-CB 4.14Å
354	G	95.9	Very high	95.1	Very high	33 Å²	33	47.3 Å²	47.3	34%	0.34	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-172.1	174.8	0	0	0	0	0	112.6	Y361	G354-Y361 PolarHBondContact N-O 3.2Å; G354-Y361 WeakPolarHBondContact O-CD1 3.41Å; G354-Y361 PolarHBondContact O-N 3.24Å
355	K	94.9	Very high	95.1	Very high	165 Å²	165	44.4 Å²	44.4	72%	0.717	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	157	166.1	75.6	175.6	-172.8	175.2	0	110.2	F359 N360	K355-F359 WeakPolarHBondContact CA-O 3.39Å; K355-N360 WeakPolarHBondContact CB-OD1 3.38Å
356	N	91.5	Very high	95.3	Very high	66 Å²	66	41.8 Å²	41.8	35%	0.353	23%	0.226	S	C	.	.			trans	-124.9	-162.7	160.9	63.9	41.7	0	0	0	109	N324 K358 F359	N324-N356 PolarHBondContact ND2-O 3.4Å; N356-K358 VanDerWaalsContact C-N 3.33Å; N356-K358 WeakPolarHBondContact OD1-CA 3.42Å; N356-K358 PolarHBondContact OD1-N 3.05Å; N356-F359 PolarHBondContact N-O 3.18Å; N356-F359 VanDerWaalsContact ND2-CE1 3.29Å; N356-F359 WeakPolarHBondContact ND2-CE1 2.99Å; N356-F359 WeakPolarHBondContact ND2-CE2 3.38Å; N356-F359 WeakPolarHBondContact ND2-CZ 3.31Å; N356-F359 PolarHBondContact OD1-N 3.11Å; N356-F359 PolarHBondContact OD1-O 3.32Å
357	A	90.3	Very high	95.3	Very high	99 Å²	99	42.4 Å²	42.4	82%	0.818	23%	0.229	S	C	*	.	S	Bend	trans	-70.2	-25.3	178.8	0	0	0	0	0	114.2	N324	N324-A357 PolarHBondContact ND2-O 2.67Å
358	K	92.5	Very high	95.1	Very high	154 Å²	154	43.1 Å²	43.1	67%	0.67	24%	0.24	S	C	*	.	S	Bend	trans	-99.8	-41.7	-175.3	-62.1	-178	179.5	-179.4	0	113.7	N324 N356	N324-K358 WeakPolarHBondContact CB-O 3.5Å; N324-K358 VanDerWaalsContact CG-C 3.48Å; N324-K358 PolarHBondContact N-O 2.84Å; N324-K358 PolarHBondContact ND2-N 3.33Å; N356-K358 VanDerWaalsContact C-N 3.33Å; N356-K358 WeakPolarHBondContact OD1-CA 3.42Å; N356-K358 PolarHBondContact OD1-N 3.05Å
359	F	95.4	Very high	95.1	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.9	-171.4	59.9	-104.1	0	0	0	114.1	L74 A321 E322 N324 K355 N356 Y361	L74-F359 HydrophobicContact CD1-CZ 4.14Å; L74-F359 HydrophobicContact CD2-CE1 3.89Å; L74-F359 HydrophobicContact CD2-CZ 3.71Å; L74-F359 HydrophobicContact CG-CE1 4.09Å; L74-F359 HydrophobicContact CG-CZ 4.01Å; A321-F359 HydrophobicContact CB-CD2 4.16Å; E322-F359 CarbonylContact O-C 3.53Å; E322-F359 WeakPolarHBondContact O-CA 3.27Å; E322-F359 WeakPolarHBondContact O-CB 3.32Å; N324-F359 PolarHBondContact ND2-N 3.1Å; N324-F359 VanDerWaalsContact OD1-CA 3.29Å; N324-F359 WeakPolarHBondContact OD1-CA 3.24Å; K355-F359 WeakPolarHBondContact CA-O 3.39Å; N356-F359 PolarHBondContact N-O 3.18Å; N356-F359 VanDerWaalsContact ND2-CE1 3.29Å; N356-F359 WeakPolarHBondContact ND2-CE1 2.99Å; N356-F359 WeakPolarHBondContact ND2-CE2 3.38Å; N356-F359 WeakPolarHBondContact ND2-CZ 3.31Å; N356-F359 PolarHBondContact OD1-N 3.11Å; N356-F359 PolarHBondContact OD1-O 3.32Å; F359-Y361 HydrophobicContact CD2-CD1 4.04Å; F359-Y361 HydrophobicContact CD2-CG 4.43Å; F359-Y361 AromaticContact CE2-CD1 3.74Å; F359-Y361 HydrophobicContact CE2-CD1 3.74Å; F359-Y361 HydrophobicContact CE2-CG 4.09Å
360	N	96.4	Very high	95.2	Very high	22 Å²	22	44.9 Å²	44.9	12%	0.118	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	148.5	159.4	-62.4	-37.4	0	0	0	108.5	A321 E322 N324 Q329 L331 K355	A321-N360 CarbonylContact C-O 3.6Å; A321-N360 VanDerWaalsContact CA-O 3.24Å; A321-N360 WeakPolarHBondContact CA-O 3.44Å; E322-N360 HydrophobicContact CG-CB 3.73Å; E322-N360 PolarHBondContact N-O 3.03Å; E322-N360 PolarHBondContact O-N 3.18Å; E322-N360 PolarHBondContact OE1-ND2 2.71Å; N324-N360 PolarHBondContact OD1-N 3.05Å; N324-N360 PolarHBondContact OD1-OD1 2.93Å; Q329-N360 PolarHBondContact OE1-ND2 2.92Å; L331-N360 HydrophobicContact CD2-CB 4.27Å; K355-N360 WeakPolarHBondContact CB-OD1 3.38Å
361	Y	97.3	Very high	95.3	Very high	15 Å²	15	44 Å²	44	6%	0.059	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.1	175.8	69.8	-82.4	0	0	0	113.5	V80 K81 W84 K320 C353 G354 F359 V363	V80-Y361 HydrophobicContact CG1-CD1 4.38Å; V80-Y361 HydrophobicContact CG1-CD2 3.76Å; V80-Y361 HydrophobicContact CG1-CE1 4.32Å; V80-Y361 HydrophobicContact CG1-CE2 3.69Å; V80-Y361 HydrophobicContact CG1-CG 4.13Å; K81-Y361 WeakPolarHBondContact CB-OH 3.4Å; K81-Y361 WeakPolarHBondContact CD-OH 3.44Å; W84-Y361 HydrophobicContact CZ3-CE2 4.22Å; K320-Y361 CarbonylContact O-C 3.45Å; K320-Y361 VanDerWaalsContact O-CA 3.3Å; K320-Y361 WeakPolarHBondContact O-CA 3.44Å; C353-Y361 CarbonylContact C-O 3.58Å; C353-Y361 WeakPolarHBondContact CA-O 3.48Å; C353-Y361 WeakPolarHBondContact CB-O 3.36Å; G354-Y361 PolarHBondContact N-O 3.2Å; G354-Y361 WeakPolarHBondContact O-CD1 3.41Å; G354-Y361 PolarHBondContact O-N 3.24Å; F359-Y361 HydrophobicContact CD2-CD1 4.04Å; F359-Y361 HydrophobicContact CD2-CG 4.43Å; F359-Y361 AromaticContact CE2-CD1 3.74Å; F359-Y361 HydrophobicContact CE2-CD1 3.74Å; F359-Y361 HydrophobicContact CE2-CG 4.09Å; Y361-V363 HydrophobicContact CD2-CG2 3.91Å; Y361-V363 HydrophobicContact CE2-CG2 4.16Å
362	M	97.5	Very high	95.4	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.7	167.6	69.2	-174.1	-69.5	0	0	110.4	I319 K320 L331 E334 V335 L338 L350 C353 M364	I319-M362 CarbonylContact C-O 3.13Å; I319-M362 WeakPolarHBondContact CA-O 3.2Å; K320-M362 HydrophobicContact CB-CG 3.97Å; K320-M362 PolarHBondContact N-O 2.75Å; K320-M362 PolarHBondContact O-N 3.37Å; L331-M362 HydrophobicContact CD1-CG 3.87Å; L331-M362 HydrophobicContact CD1-SD 3.46Å; L331-M362 WeakPolarHBondContact CD1-SD 3.11Å; L331-M362 HydrophobicContact CD2-CB 4.42Å; L331-M362 HydrophobicContact CD2-CG 4.22Å; L331-M362 HydrophobicContact CG-CG 4.12Å; L331-M362 HydrophobicContact CG-SD 3.95Å; E334-M362 HydrophobicContact CB-SD 4.08Å; V335-M362 HydrophobicContact CG2-CB 3.65Å; V335-M362 HydrophobicContact CG2-CE 4.27Å; V335-M362 HydrophobicContact CG2-CG 4.43Å; V335-M362 HydrophobicContact CG2-SD 4.06Å; L338-M362 HydrophobicContact CB-CE 4.41Å; L338-M362 HydrophobicContact CD2-CE 3.39Å; L350-M362 HydrophobicContact CD1-CB 4.39Å; L350-M362 HydrophobicContact CD1-CE 4.18Å; C353-M362 HydrophobicContact CB-CB 4.14Å; M362-M364 HydrophobicContact CE-CE 4.08Å; M362-M364 HydrophobicContact CE-SD 3.89Å; M362-M364 HydrophobicContact CG-CE 4.38Å; M362-M364 HydrophobicContact SD-CE 4.26Å
363	V	97.7	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.1	-176.5	-169.7	0	0	0	0	109.2	W84 V317 A318 I319 F351 G352 Y361	W84-V363 HydrophobicContact CD2-CB 4.39Å; W84-V363 HydrophobicContact CD2-CG1 3.99Å; W84-V363 HydrophobicContact CD2-CG2 3.96Å; W84-V363 HydrophobicContact CE3-CG2 3.8Å; W84-V363 HydrophobicContact CG-CG1 4.09Å; W84-V363 HydrophobicContact CH2-CG2 4.26Å; W84-V363 HydrophobicContact CZ2-CB 4.32Å; W84-V363 HydrophobicContact CZ2-CG1 4.3Å; W84-V363 HydrophobicContact CZ2-CG2 4.41Å; W84-V363 HydrophobicContact CZ3-CG2 3.96Å; V317-V363 HydrophobicContact CB-CG1 3.74Å; V317-V363 HydrophobicContact CG1-CG1 4.34Å; V317-V363 HydrophobicContact CG2-CG1 3.46Å; V317-V363 VanDerWaalsContact CG2-CG1 3.46Å; A318-V363 WeakPolarHBondContact O-CA 3.37Å; I319-V363 HydrophobicContact CG1-CG1 4.24Å; I319-V363 HydrophobicContact CG1-CG2 4.15Å; I319-V363 HydrophobicContact CG2-CG2 4.41Å; F351-V363 HydrophobicContact CB-CB 4.49Å; F351-V363 HydrophobicContact CB-CG1 4.34Å; F351-V363 HydrophobicContact CD2-CG1 4.43Å; F351-V363 PolarHBondContact N-O 2.76Å; G352-V363 PolarHBondContact N-O 2.89Å; G352-V363 PolarHBondContact O-N 2.58Å; Y361-V363 HydrophobicContact CD2-CG2 3.91Å; Y361-V363 HydrophobicContact CE2-CG2 4.16Å
364	M	96.5	Very high	95.6	Very high	27 Å²	27	44.2 Å²	44.2	13%	0.133	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	171.5	-171.6	61.7	-173.4	146	0	0	112.9	V317 A318 K320 L338 C348 R349 M362 L366	V317-M364 WeakPolarHBondContact CA-O 3.47Å; A318-M364 HydrophobicContact CB-CG 4.08Å; A318-M364 PolarHBondContact N-O 3.28Å; A318-M364 PolarHBondContact O-N 2.79Å; K320-M364 HydrophobicContact CB-CE 4.1Å; L338-M364 HydrophobicContact CD2-CB 4.3Å; L338-M364 HydrophobicContact CD2-SD 4Å; C348-M364 HydrophobicContact CB-CB 4.22Å; C348-M364 HydrophobicContact CB-CG 4.45Å; C348-M364 HydrophobicContact CB-SD 4.11Å; R349-M364 CarbonylContact O-C 3.54Å; R349-M364 WeakPolarHBondContact O-CA 3.47Å; R349-M364 VanDerWaalsContact O-CB 3.27Å; R349-M364 WeakPolarHBondContact O-CB 3.22Å; M362-M364 HydrophobicContact CE-CE 4.08Å; M362-M364 HydrophobicContact CE-SD 3.89Å; M362-M364 HydrophobicContact CG-CE 4.38Å; M362-M364 HydrophobicContact SD-CE 4.26Å; M364-L366 PolarHBondContact O-N 2.78Å
365	T	94.4	Very high	95.7	Very high	41 Å²	41	43 Å²	43	25%	0.252	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	125.1	174.3	-51.7	0	0	0	0	111.2	R349 Q367	R349-T365 WeakPolarHBondContact CB-OG1 3.36Å; R349-T365 PolarHBondContact N-OG1 2.92Å; R349-T365 PolarHBondContact O-N 3.01Å; T365-Q367 PolarHBondContact O-NE2 2.87Å
366	L	95.6	Very high	95.7	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.068	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-71	129.5	170.3	-174.7	55.9	0	0	0	109.4	L90 E100 R316 A318 M364 R421	L90-L366 HydrophobicContact CD1-CD1 3.57Å; E100-L366 HydrophobicContact CB-CD2 4.27Å; E100-L366 HydrophobicContact CG-CD2 3.7Å; R316-L366 HydrophobicContact CB-CD2 3.87Å; A318-L366 HydrophobicContact CB-CD1 3.95Å; M364-L366 PolarHBondContact O-N 2.78Å; L366-R421 WeakPolarHBondContact O-CD 3.44Å; L366-R421 WeakPolarHBondContact O-CG 3.24Å
367	Q	95.1	Very high	95.9	Very high	23 Å²	23	42.5 Å²	42.5	11%	0.107	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-96.5	167.4	179.9	-57.1	-61.9	-47.8	0	0	111.1	C348 T365 A418 R421 T434 L436	C348-Q367 PolarHBondContact SG-NE2 3.13Å; C348-Q367 VanDerWaalsContact SG-NE2 3.38Å; T365-Q367 PolarHBondContact O-NE2 2.87Å; Q367-A418 HydrophobicContact CB-CB 3.96Å; Q367-R421 WeakPolarHBondContact O-CD 3.38Å; Q367-T434 HydrophobicContact CG-CG2 4.44Å; Q367-T434 VanDerWaalsContact OE1-CB 3.29Å; Q367-T434 PolarHBondContact OE1-OG1 3.4Å; Q367-L436 HydrophobicContact CG-CD2 3.87Å
368	G	93.8	Very high	96.2	Very high	32 Å²	32	38.8 Å²	38.8	33%	0.33	19%	0.194	S	C	.	.			trans	-81.5	-151.6	172	0	0	0	0	0	112.1	I419	G368-I419 WeakPolarHBondContact CA-O 3.1Å; G368-I419 PolarHBondContact N-O 3.47Å
369	K	95.1	Very high	96.2	Very high	96 Å²	96	37.2 Å²	37.2	42%	0.417	20%	0.199	S	C	.	.			trans	-65.8	145.3	178.7	-63.9	-176.4	174.5	-126.1	0	111.3	E373 I374 A418 I419	K369-E373 VanDerWaalsContact CD-OE1 3.32Å; K369-E373 WeakPolarHBondContact CD-OE1 3.48Å; K369-E373 VanDerWaalsContact CE-OE1 3.23Å; K369-E373 WeakPolarHBondContact CE-OE1 3.32Å; K369-E373 IonicContact NZ-OE1 2.72Å; K369-E373 PolarHBondContact NZ-OE1 3.18Å; K369-I374 HydrophobicContact CB-CD1 3.92Å; K369-I374 HydrophobicContact CB-CG1 3.52Å; K369-I374 HydrophobicContact CD-CG1 4.24Å; K369-A418 WeakPolarHBondContact O-CA 3.36Å; K369-A418 WeakPolarHBondContact O-CB 3.31Å; K369-I419 PolarHBondContact O-N 3.06Å
370	N	97.3	Very high	96.2	Very high	40 Å²	40	40 Å²	40	21%	0.214	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-80.6	154.3	171.9	62.2	82.6	0	0	0	111.5	S372 E373 I374 S415 F417 A418	N370-S372 PolarHBondContact O-N 3.48Å; N370-S372 VanDerWaalsContact O-N 3.17Å; N370-S372 WeakPolarHBondContact OD1-CB 3.42Å; N370-S372 PolarHBondContact OD1-N 3.21Å; N370-E373 WeakPolarHBondContact O-CB 3.31Å; N370-E373 PolarHBondContact O-N 3.4Å; N370-E373 PolarHBondContact OD1-N 3.32Å; N370-I374 WeakPolarHBondContact O-CG1 3.42Å; N370-I374 PolarHBondContact O-N 3.5Å; N370-S415 WeakPolarHBondContact CB-O 3.23Å; N370-F417 CarbonylContact C-O 3.58Å; N370-F417 WeakPolarHBondContact CA-O 3.08Å; N370-F417 WeakPolarHBondContact CB-O 3.37Å; N370-A418 HydrophobicContact CB-CB 4.23Å
371	L	98	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-29.4	-175.7	-57.3	-175.6	0	0	0	112.7	I374 R375 L391 P414 F417 I419 V433 F495	L371-I374 HydrophobicContact CD2-CD1 4.29Å; L371-R375 WeakPolarHBondContact O-CB 3.49Å; L371-R375 PolarHBondContact O-N 3.1Å; L371-L391 HydrophobicContact CD1-CD1 4.4Å; L371-L391 HydrophobicContact CD1-CD2 4.04Å; L371-L391 HydrophobicContact CD2-CD1 4.22Å; L371-L391 HydrophobicContact CD2-CD2 3.62Å; L371-P414 CarbonylContact C-O 3.58Å; L371-P414 WeakPolarHBondContact CA-O 3.25Å; L371-P414 HydrophobicContact CB-CB 4.17Å; L371-P414 WeakPolarHBondContact CB-O 3.46Å; L371-P414 PolarHBondContact N-O 3.16Å; L371-F417 HydrophobicContact CD1-CB 3.67Å; L371-F417 HydrophobicContact CD1-CG 4.43Å; L371-F417 HydrophobicContact CG-CB 3.88Å; L371-F417 PolarHBondContact N-O 2.84Å; L371-I419 HydrophobicContact CD2-CG2 4.44Å; L371-V433 HydrophobicContact CD1-CG1 4.25Å; L371-F495 HydrophobicContact CB-CZ 4.26Å; L371-F495 HydrophobicContact CD1-CE2 4.3Å; L371-F495 HydrophobicContact CD1-CZ 3.88Å
372	S	97.7	Very high	96.2	Very high	23 Å²	23	42.5 Å²	42.5	16%	0.161	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-38.4	173	-178.9	0	0	0	0	113	N370 R376 P414	N370-S372 PolarHBondContact O-N 3.48Å; N370-S372 VanDerWaalsContact O-N 3.17Å; N370-S372 WeakPolarHBondContact OD1-CB 3.42Å; N370-S372 PolarHBondContact OD1-N 3.21Å; S372-R376 WeakPolarHBondContact O-CG 3.47Å; S372-R376 PolarHBondContact O-N 3.24Å; S372-R376 PolarHBondContact O-NE 3.49Å; S372-P414 PolarHBondContact N-O 2.96Å
373	E	96.7	Very high	96.2	Very high	65 Å²	65	42.6 Å²	42.6	30%	0.304	25%	0.248	S	C	.	.	H	α-helix	trans	-70	-49.3	173.5	-167.6	-163.6	148.7	0	0	111.2	K369 N370 R375 R376 T377	K369-E373 VanDerWaalsContact CD-OE1 3.32Å; K369-E373 WeakPolarHBondContact CD-OE1 3.48Å; K369-E373 VanDerWaalsContact CE-OE1 3.23Å; K369-E373 WeakPolarHBondContact CE-OE1 3.32Å; K369-E373 IonicContact NZ-OE1 2.72Å; K369-E373 PolarHBondContact NZ-OE1 3.18Å; N370-E373 WeakPolarHBondContact O-CB 3.31Å; N370-E373 PolarHBondContact O-N 3.4Å; N370-E373 PolarHBondContact OD1-N 3.32Å; E373-R375 PolarHBondContact O-N 3.27Å; E373-R376 PolarHBondContact O-N 3.47Å; E373-T377 PolarHBondContact O-N 3Å
374	I	97.3	Very high	96.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-52.1	-179.9	-63.7	173.1	0	0	0	110.2	K369 N370 L371 R376 T377 F383 I419 W576	K369-I374 HydrophobicContact CB-CD1 3.92Å; K369-I374 HydrophobicContact CB-CG1 3.52Å; K369-I374 HydrophobicContact CD-CG1 4.24Å; N370-I374 WeakPolarHBondContact O-CG1 3.42Å; N370-I374 PolarHBondContact O-N 3.5Å; L371-I374 HydrophobicContact CD2-CD1 4.29Å; I374-R376 VanDerWaalsContact C-N 3.27Å; I374-R376 PolarHBondContact O-N 2.83Å; I374-T377 PolarHBondContact O-N 2.94Å; I374-T377 PolarHBondContact O-OG1 2.83Å; I374-F383 HydrophobicContact CG2-CE1 3.99Å; I374-F383 HydrophobicContact CG2-CZ 4.26Å; I374-I419 HydrophobicContact CD1-CD1 3.95Å; I374-I419 HydrophobicContact CD1-CG1 4.13Å; I374-I419 HydrophobicContact CD1-CG2 3.65Å; I374-W576 HydrophobicContact CG2-CB 4Å; I374-W576 HydrophobicContact CG2-CD2 3.4Å; I374-W576 VanDerWaalsContact CG2-CD2 3.4Å; I374-W576 HydrophobicContact CG2-CE3 3.22Å; I374-W576 HydrophobicContact CG2-CG 3.76Å; I374-W576 HydrophobicContact CG2-CZ3 3.84Å
375	R	97.8	Very high	96.2	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-54.3	-43	178.9	-170.5	174.8	68.3	76.7	-7.8	112	L371 E373 T377 L378 A381 F383 E494 G498	L371-R375 WeakPolarHBondContact O-CB 3.49Å; L371-R375 PolarHBondContact O-N 3.1Å; E373-R375 PolarHBondContact O-N 3.27Å; R375-T377 PolarHBondContact O-N 3.15Å; R375-L378 PolarHBondContact O-N 3.42Å; R375-A381 WeakPolarHBondContact CD-O 3.16Å; R375-A381 WeakPolarHBondContact CG-O 3.18Å; R375-A381 PolarHBondContact NH1-O 3.21Å; R375-A381 VanDerWaalsContact O-CA 3.27Å; R375-A381 WeakPolarHBondContact O-CA 3.42Å; R375-F383 HydrophobicContact CB-CD2 4.39Å; R375-F383 HydrophobicContact CB-CE1 4.24Å; R375-F383 HydrophobicContact CB-CE2 3.68Å; R375-F383 HydrophobicContact CB-CZ 3.59Å; R375-F383 HydrophobicContact CG-CD2 4.1Å; R375-F383 HydrophobicContact CG-CE2 3.88Å; R375-F383 HydrophobicContact CG-CZ 4.16Å; R375-E494 IonicContact CZ-OE2 2.64Å; R375-E494 IonicContact NE-OE2 2.66Å; R375-E494 IonicContact NH2-OE1 3.62Å; R375-E494 IonicContact NH2-OE2 3.73Å; R375-E494 PolarHBondContact NH2-OE2 2.95Å; R375-G498 PolarHBondContact NH1-O 2.75Å; R375-G498 PolarHBondContact NH2-O 2.8Å
376	R	96.6	Very high	96.3	Very high	136 Å²	136	46.3 Å²	46.3	51%	0.513	27%	0.272	S	S	.	.	H	α-helix	trans	-69.3	-13.3	178.9	-75.2	179.8	-67	138	0.9	114.6	S372 E373 I374	S372-R376 WeakPolarHBondContact O-CG 3.47Å; S372-R376 PolarHBondContact O-N 3.24Å; S372-R376 PolarHBondContact O-NE 3.49Å; E373-R376 PolarHBondContact O-N 3.47Å; I374-R376 VanDerWaalsContact C-N 3.27Å; I374-R376 PolarHBondContact O-N 2.83Å
377	T	95.7	Very high	96.4	Very high	85 Å²	85	45.7 Å²	45.7	52%	0.521	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.4	172.7	60.3	0	0	0	0	114.2	E373 I374 R375	E373-T377 PolarHBondContact O-N 3Å; I374-T377 PolarHBondContact O-N 2.94Å; I374-T377 PolarHBondContact O-OG1 2.83Å; R375-T377 PolarHBondContact O-N 3.15Å
378	L	95.8	Very high	96.5	Very high	21 Å²	21	44.6 Å²	44.6	11%	0.11	26%	0.264	C	S	.	.	S	Bend	trans	-90.7	152.9	179.5	-59.7	177.7	0	0	0	112.2	R375 G380 A381 I382 F383 D575 W576	R375-L378 PolarHBondContact O-N 3.42Å; L378-G380 PolarHBondContact O-N 3.18Å; L378-A381 WeakPolarHBondContact O-CA 3.37Å; L378-A381 PolarHBondContact O-N 3.45Å; L378-I382 WeakPolarHBondContact CD1-O 3.44Å; L378-F383 HydrophobicContact CD1-CD1 3.27Å; L378-F383 HydrophobicContact CD1-CE1 3.48Å; L378-F383 VanDerWaalsContact CD1-CE1 3.48Å; L378-F383 HydrophobicContact CD1-CG 4.32Å; L378-D575 HydrophobicContact CD1-CB 3.69Å; L378-D575 HydrophobicContact CD2-CB 3.94Å; L378-D575 HydrophobicContact CG-CB 4.49Å; L378-W576 HydrophobicContact CD2-CB 4.42Å
379	P	93.1	Very high	96.7	Very high	120 Å²	120	43.1 Å²	43.1	78%	0.779	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-53.1	132.4	172.8	-25.8	35.5	0	0	0	112.3	A381 I382	P379-A381 PolarHBondContact O-N 3.05Å; P379-I382 PolarHBondContact O-N 3.16Å
380	G	94.4	Very high	96.9	Very high	69 Å²	69	38.7 Å²	38.7	71%	0.711	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	64.9	2.8	-175.9	0	0	0	0	0	115.4	L378 I382	L378-G380 PolarHBondContact O-N 3.18Å; G380-I382 PolarHBondContact O-N 3.07Å
381	A	96.2	Very high	96.9	Very high	24 Å²	24	36.8 Å²	36.8	20%	0.198	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	51.8	38.9	-167	0	0	0	0	0	113.7	R375 L378 P379 G498	R375-A381 WeakPolarHBondContact CD-O 3.16Å; R375-A381 WeakPolarHBondContact CG-O 3.18Å; R375-A381 PolarHBondContact NH1-O 3.21Å; R375-A381 VanDerWaalsContact O-CA 3.27Å; R375-A381 WeakPolarHBondContact O-CA 3.42Å; L378-A381 WeakPolarHBondContact O-CA 3.37Å; L378-A381 PolarHBondContact O-N 3.45Å; P379-A381 PolarHBondContact O-N 3.05Å; A381-G498 WeakPolarHBondContact O-CA 3.31Å
382	I	97.4	Very high	96.9	Very high	67 Å²	67	36.8 Å²	36.8	34%	0.344	22%	0.218	S	C	.	.			trans	-113.8	143.8	-179.2	-73.5	161.3	0	0	0	109.5	L378 P379 G380 V496	L378-I382 WeakPolarHBondContact CD1-O 3.44Å; P379-I382 PolarHBondContact O-N 3.16Å; G380-I382 PolarHBondContact O-N 3.07Å; I382-V496 WeakPolarHBondContact CG2-O 3.41Å
383	F	98.1	Very high	96.9	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.013	22%	0.218	C	C	.	.			trans	-92.2	145.7	165.3	-70.8	-55.4	0	0	0	110.6	I374 R375 L378 T387 A388 L391 F495 D575 W576	I374-F383 HydrophobicContact CG2-CE1 3.99Å; I374-F383 HydrophobicContact CG2-CZ 4.26Å; R375-F383 HydrophobicContact CB-CD2 4.39Å; R375-F383 HydrophobicContact CB-CE1 4.24Å; R375-F383 HydrophobicContact CB-CE2 3.68Å; R375-F383 HydrophobicContact CB-CZ 3.59Å; R375-F383 HydrophobicContact CG-CD2 4.1Å; R375-F383 HydrophobicContact CG-CE2 3.88Å; R375-F383 HydrophobicContact CG-CZ 4.16Å; L378-F383 HydrophobicContact CD1-CD1 3.27Å; L378-F383 HydrophobicContact CD1-CE1 3.48Å; L378-F383 VanDerWaalsContact CD1-CE1 3.48Å; L378-F383 HydrophobicContact CD1-CG 4.32Å; F383-T387 HydrophobicContact CB-CG2 3.85Å; F383-T387 HydrophobicContact CD1-CG2 3.41Å; F383-T387 VanDerWaalsContact CD1-CG2 3.41Å; F383-T387 HydrophobicContact CE1-CG2 4.07Å; F383-T387 HydrophobicContact CG-CG2 3.75Å; F383-A388 HydrophobicContact CB-CB 4.2Å; F383-L391 HydrophobicContact CD1-CD1 4.44Å; F383-L391 HydrophobicContact CD2-CD1 4.04Å; F383-L391 HydrophobicContact CE1-CD1 4.17Å; F383-L391 HydrophobicContact CE2-CD1 3.72Å; F383-L391 HydrophobicContact CG-CD1 4.39Å; F383-L391 HydrophobicContact CZ-CD1 3.8Å; F383-F495 HydrophobicContact CD2-CB 3.76Å; F383-F495 AromaticContact CD2-CD1 3.83Å; F383-F495 HydrophobicContact CD2-CD1 3.83Å; F383-F495 AromaticContact CD2-CD2 3.91Å; F383-F495 HydrophobicContact CD2-CD2 3.91Å; F383-F495 HydrophobicContact CD2-CE1 4.36Å; F383-F495 HydrophobicContact CD2-CE2 4.45Å; F383-F495 AromaticContact CD2-CG 3.56Å; F383-F495 HydrophobicContact CD2-CG 3.56Å; F383-F495 AromaticContact CE2-CD1 3.81Å; F383-F495 HydrophobicContact CE2-CD1 3.81Å; F383-F495 HydrophobicContact CE2-CD2 4.17Å; F383-F495 AromaticContact CE2-CE1 3.9Å; F383-F495 HydrophobicContact CE2-CE1 3.9Å; F383-F495 HydrophobicContact CE2-CE2 4.26Å; F383-F495 AromaticContact CE2-CG 3.94Å; F383-F495 HydrophobicContact CE2-CG 3.94Å; F383-F495 HydrophobicContact CE2-CZ 4.13Å; F383-F495 PolarHBondContact N-O 3.18Å; F383-D575 WeakPolarHBondContact CA-OD2 3.5Å; F383-D575 WeakPolarHBondContact CD1-OD2 3.22Å; F383-W576 HydrophobicContact CD1-CE3 4.42Å; F383-W576 HydrophobicContact CD1-CZ3 4.04Å; F383-W576 AromaticContact CE1-CE3 3.79Å; F383-W576 HydrophobicContact CE1-CE3 3.79Å; F383-W576 AromaticContact CE1-CZ3 3.46Å; F383-W576 HydrophobicContact CE1-CZ3 3.46Å; F383-W576 VanDerWaalsContact CE1-CZ3 3.46Å; F383-W576 HydrophobicContact CZ-CZ3 4.16Å
384	T	97	Very high	96.9	Very high	76 Å²	76	35.6 Å²	35.6	47%	0.466	21%	0.21	S	C	.	.			trans	-62.1	155.2	166.7	68	0	0	0	0	110.2	G386 T387 A388 D575	T384-G386 VanDerWaalsContact C-N 3.27Å; T384-G386 PolarHBondContact O-N 3.41Å; T384-T387 PolarHBondContact O-N 3.17Å; T384-T387 WeakPolarHBondContact OG1-CB 3.46Å; T384-T387 PolarHBondContact OG1-N 2.97Å; T384-T387 PolarHBondContact OG1-OG1 3.25Å; T384-A388 WeakPolarHBondContact O-CB 3.24Å; T384-A388 PolarHBondContact O-N 3.31Å; T384-D575 WeakPolarHBondContact CB-OD1 3.21Å; T384-D575 VanDerWaalsContact CG2-OD1 3.23Å; T384-D575 WeakPolarHBondContact CG2-OD1 3.4Å; T384-D575 PolarHBondContact N-OD2 3Å; T384-D575 PolarHBondContact OG1-OD1 2.84Å
385	L	97.3	Very high	97	Very high	62 Å²	62	35.5 Å²	35.5	33%	0.325	21%	0.209	S	C	.	.	H	α-helix	trans	-57.7	-41	177	-63.7	177.7	0	0	0	111.5	T387 A388 F389 V496 W562	L385-T387 PolarHBondContact O-N 2.8Å; L385-A388 PolarHBondContact O-N 3.3Å; L385-F389 HydrophobicContact CB-CD2 4.43Å; L385-F389 HydrophobicContact CD2-CE2 4.34Å; L385-F389 WeakPolarHBondContact O-CB 3.43Å; L385-F389 WeakPolarHBondContact O-CD2 3.46Å; L385-F389 PolarHBondContact O-N 3.18Å; L385-V496 HydrophobicContact CD2-CB 4.24Å; L385-V496 HydrophobicContact CD2-CG1 3.68Å; L385-W562 HydrophobicContact CB-CH2 3.49Å; L385-W562 VanDerWaalsContact CB-CH2 3.49Å; L385-W562 HydrophobicContact CB-CZ2 4.14Å; L385-W562 HydrophobicContact CB-CZ3 4.19Å; L385-W562 HydrophobicContact CD1-CH2 4.1Å; L385-W562 HydrophobicContact CD1-CZ2 3.91Å; L385-W562 HydrophobicContact CG-CH2 4.43Å
386	G	97	Very high	97	Very high	9 Å²	9	35.2 Å²	35.2	9%	0.093	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-39.3	176.8	0	0	0	0	0	114	T384 R390	T384-G386 VanDerWaalsContact C-N 3.27Å; T384-G386 PolarHBondContact O-N 3.41Å; G386-R390 WeakPolarHBondContact O-CG 3.48Å; G386-R390 PolarHBondContact O-NE 3Å
387	T	97.2	Very high	97	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.4	-47.2	172.3	-78.9	0	0	0	0	111.7	F383 T384 L385 F389 R390 L391 Y574 D575 W576	F383-T387 HydrophobicContact CB-CG2 3.85Å; F383-T387 HydrophobicContact CD1-CG2 3.41Å; F383-T387 VanDerWaalsContact CD1-CG2 3.41Å; F383-T387 HydrophobicContact CE1-CG2 4.07Å; F383-T387 HydrophobicContact CG-CG2 3.75Å; T384-T387 PolarHBondContact O-N 3.17Å; T384-T387 WeakPolarHBondContact OG1-CB 3.46Å; T384-T387 PolarHBondContact OG1-N 2.97Å; T384-T387 PolarHBondContact OG1-OG1 3.25Å; L385-T387 PolarHBondContact O-N 2.8Å; T387-F389 PolarHBondContact O-N 3.39Å; T387-R390 PolarHBondContact O-N 3.05Å; T387-L391 HydrophobicContact CG2-CD1 3.79Å; T387-L391 HydrophobicContact CG2-CG 4.3Å; T387-L391 WeakPolarHBondContact O-CB 3.39Å; T387-L391 WeakPolarHBondContact O-CG 3.5Å; T387-L391 PolarHBondContact O-N 3.22Å; T387-Y574 HydrophobicContact CG2-CD1 3.93Å; T387-D575 VanDerWaalsContact CB-CG 3.48Å; T387-D575 VanDerWaalsContact CB-OD1 3.28Å; T387-D575 WeakPolarHBondContact CB-OD1 3.33Å; T387-D575 VanDerWaalsContact CB-OD2 3.28Å; T387-D575 WeakPolarHBondContact CB-OD2 3.31Å; T387-D575 WeakPolarHBondContact CG2-OD2 3.47Å; T387-D575 PolarHBondContact OG1-N 3.01Å; T387-D575 PolarHBondContact OG1-OD1 2.91Å; T387-D575 PolarHBondContact OG1-OD2 3.01Å; T387-W576 HydrophobicContact CG2-CE3 4.45Å; T387-W576 HydrophobicContact CG2-CH2 4.17Å; T387-W576 HydrophobicContact CG2-CZ3 3.56Å
388	A	98.1	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-44.9	-176.9	0	0	0	0	0	112.3	F383 T384 L385 L391 I392 F492 F495 V496	F383-A388 HydrophobicContact CB-CB 4.2Å; T384-A388 WeakPolarHBondContact O-CB 3.24Å; T384-A388 PolarHBondContact O-N 3.31Å; L385-A388 PolarHBondContact O-N 3.3Å; A388-L391 PolarHBondContact O-N 2.85Å; A388-I392 WeakPolarHBondContact O-CB 3.45Å; A388-I392 WeakPolarHBondContact O-CG1 3.17Å; A388-I392 PolarHBondContact O-N 3.33Å; A388-F492 HydrophobicContact CB-CD2 4.38Å; A388-F492 HydrophobicContact CB-CE2 4.08Å; A388-F495 HydrophobicContact CB-CB 4.21Å; A388-V496 HydrophobicContact CB-CG1 3.85Å
389	F	98	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-48.3	179.6	-86.9	-119.3	0	0	0	111.8	L385 T387 I392 K393 F492 P530 I533 L559 W562 L563	L385-F389 HydrophobicContact CB-CD2 4.43Å; L385-F389 HydrophobicContact CD2-CE2 4.34Å; L385-F389 WeakPolarHBondContact O-CB 3.43Å; L385-F389 WeakPolarHBondContact O-CD2 3.46Å; L385-F389 PolarHBondContact O-N 3.18Å; T387-F389 PolarHBondContact O-N 3.39Å; F389-I392 PolarHBondContact O-N 3.03Å; F389-K393 WeakPolarHBondContact O-CB 3.5Å; F389-K393 PolarHBondContact O-N 3.43Å; F389-F492 HydrophobicContact CD1-CZ 4.42Å; F389-F492 AromaticContact CD2-CE2 3.71Å; F389-F492 HydrophobicContact CD2-CE2 3.71Å; F389-F492 AromaticContact CD2-CZ 3.55Å; F389-F492 HydrophobicContact CD2-CZ 3.55Å; F389-F492 HydrophobicContact CE1-CZ 4.32Å; F389-F492 AromaticContact CE2-CE2 3.79Å; F389-F492 HydrophobicContact CE2-CE2 3.79Å; F389-F492 AromaticContact CE2-CZ 3.46Å; F389-F492 HydrophobicContact CE2-CZ 3.46Å; F389-F492 VanDerWaalsContact CE2-CZ 3.46Å; F389-F492 HydrophobicContact CG-CE2 4.48Å; F389-F492 HydrophobicContact CG-CZ 4.05Å; F389-F492 AromaticContact CZ-CZ 3.86Å; F389-F492 HydrophobicContact CZ-CZ 3.86Å; F389-P530 HydrophobicContact CZ-CG 3.91Å; F389-I533 HydrophobicContact CE1-CG1 4.14Å; F389-I533 HydrophobicContact CE1-CG2 4.46Å; F389-I533 HydrophobicContact CZ-CG1 4.28Å; F389-I533 HydrophobicContact CZ-CG2 4.5Å; F389-L559 HydrophobicContact CD1-CB 4.13Å; F389-L559 HydrophobicContact CD1-CD2 3.43Å; F389-L559 VanDerWaalsContact CD1-CD2 3.43Å; F389-L559 HydrophobicContact CD1-CG 4.36Å; F389-L559 HydrophobicContact CE1-CD2 3.62Å; F389-L559 HydrophobicContact CG-CD2 4.13Å; F389-L559 HydrophobicContact CZ-CD2 4.46Å; F389-W562 HydrophobicContact CB-CE3 4.39Å; F389-W562 HydrophobicContact CB-CZ3 4.47Å; F389-W562 HydrophobicContact CD1-CB 4.14Å; F389-W562 AromaticContact CD1-CD2 3.76Å; F389-W562 HydrophobicContact CD1-CD2 3.76Å; F389-W562 AromaticContact CD1-CE3 3.32Å; F389-W562 HydrophobicContact CD1-CE3 3.32Å; F389-W562 HydrophobicContact CD1-CG 4.1Å; F389-W562 HydrophobicContact CD1-CZ3 4.07Å; F389-W562 HydrophobicContact CD2-CE3 4.09Å; F389-W562 HydrophobicContact CD2-CZ3 4.05Å; F389-W562 HydrophobicContact CE1-CB 3.68Å; F389-W562 AromaticContact CE1-CD2 3.37Å; F389-W562 HydrophobicContact CE1-CD2 3.37Å; F389-W562 AromaticContact CE1-CE3 3.48Å; F389-W562 HydrophobicContact CE1-CE3 3.48Å; F389-W562 VanDerWaalsContact CE1-CE3 3.48Å; F389-W562 AromaticContact CE1-CG 3.44Å; F389-W562 HydrophobicContact CE1-CG 3.44Å; F389-W562 VanDerWaalsContact CE1-CG 3.44Å; F389-W562 HydrophobicContact CE1-CZ3 4.35Å; F389-W562 HydrophobicContact CE2-CD2 4.31Å; F389-W562 HydrophobicContact CE2-CE3 4.2Å; F389-W562 HydrophobicContact CE2-CZ3 4.31Å; F389-W562 HydrophobicContact CG-CD2 4.4Å; F389-W562 AromaticContact CG-CE3 3.67Å; F389-W562 HydrophobicContact CG-CE3 3.67Å; F389-W562 AromaticContact CG-CZ3 3.93Å; F389-W562 HydrophobicContact CG-CZ3 3.93Å; F389-W562 AromaticContact CZ-CD2 3.69Å; F389-W562 HydrophobicContact CZ-CD2 3.69Å; F389-W562 AromaticContact CZ-CE3 3.92Å; F389-W562 HydrophobicContact CZ-CE3 3.92Å; F389-W562 AromaticContact CZ-CG 3.98Å; F389-W562 HydrophobicContact CZ-CG 3.98Å; F389-W562 HydrophobicContact CZ-CZ3 4.46Å; F389-L563 HydrophobicContact CB-CD1 4.44Å; F389-L563 HydrophobicContact CB-CD2 3.95Å; F389-L563 HydrophobicContact CB-CG 4.23Å
390	R	97.5	Very high	97.5	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.011	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-40.6	178.7	-65.6	-179.5	-63.2	145.8	-7.1	112.4	G386 T387 K393 Q394 L563 D572 F573 Y574	G386-R390 WeakPolarHBondContact O-CG 3.48Å; G386-R390 PolarHBondContact O-NE 3Å; T387-R390 PolarHBondContact O-N 3.05Å; R390-K393 PolarHBondContact O-N 3.41Å; R390-Q394 PolarHBondContact O-N 3.33Å; R390-Q394 VanDerWaalsContact O-N 3.15Å; R390-L563 HydrophobicContact CG-CD1 3.88Å; R390-L563 HydrophobicContact CG-CD2 3.99Å; R390-D572 PolarHBondContact NH1-O 3.12Å; R390-D572 PolarHBondContact NH2-O 3.1Å; R390-F573 PolarHBondContact NH2-O 3.34Å; R390-Y574 HydrophobicContact CB-CE1 3.89Å
391	L	97.9	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-48.7	172	-80.9	179.6	0	0	0	111.8	L371 F383 T387 A388 Q394 C395 V433 F495 Y574 W576	L371-L391 HydrophobicContact CD1-CD1 4.4Å; L371-L391 HydrophobicContact CD1-CD2 4.04Å; L371-L391 HydrophobicContact CD2-CD1 4.22Å; L371-L391 HydrophobicContact CD2-CD2 3.62Å; F383-L391 HydrophobicContact CD1-CD1 4.44Å; F383-L391 HydrophobicContact CD2-CD1 4.04Å; F383-L391 HydrophobicContact CE1-CD1 4.17Å; F383-L391 HydrophobicContact CE2-CD1 3.72Å; F383-L391 HydrophobicContact CG-CD1 4.39Å; F383-L391 HydrophobicContact CZ-CD1 3.8Å; T387-L391 HydrophobicContact CG2-CD1 3.79Å; T387-L391 HydrophobicContact CG2-CG 4.3Å; T387-L391 WeakPolarHBondContact O-CB 3.39Å; T387-L391 WeakPolarHBondContact O-CG 3.5Å; T387-L391 PolarHBondContact O-N 3.22Å; A388-L391 PolarHBondContact O-N 2.85Å; L391-Q394 PolarHBondContact O-N 2.94Å; L391-C395 PolarHBondContact O-N 2.92Å; L391-C395 PolarHBondContact O-SG 2.84Å; L391-V433 HydrophobicContact CD2-CG2 3.51Å; L391-F495 HydrophobicContact CB-CE2 4.24Å; L391-F495 HydrophobicContact CD1-CE2 4.21Å; L391-Y574 HydrophobicContact CD2-CE1 4.32Å; L391-Y574 HydrophobicContact CG-CD1 4.49Å; L391-Y574 HydrophobicContact CG-CE1 4.14Å; L391-W576 HydrophobicContact CD1-CH2 3.99Å; L391-W576 HydrophobicContact CD1-CZ3 4.07Å; L391-W576 HydrophobicContact CD2-CH2 3.91Å; L391-W576 HydrophobicContact CG-CH2 4.16Å
392	I	98.3	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.6	-39.4	-178.1	-68	-69.4	0	0	0	110.9	A388 F389 Q394 C395 I396 L488 M491 F492 F495 W537 L559	A388-I392 WeakPolarHBondContact O-CB 3.45Å; A388-I392 WeakPolarHBondContact O-CG1 3.17Å; A388-I392 PolarHBondContact O-N 3.33Å; F389-I392 PolarHBondContact O-N 3.03Å; I392-Q394 PolarHBondContact O-N 2.81Å; I392-C395 CarbonylContact O-C 3.59Å; I392-C395 WeakPolarHBondContact O-CA 3.12Å; I392-C395 WeakPolarHBondContact O-CB 3.43Å; I392-C395 PolarHBondContact O-N 3.02Å; I392-I396 HydrophobicContact CG2-CD1 4.49Å; I392-I396 WeakPolarHBondContact O-CG1 3.36Å; I392-I396 PolarHBondContact O-N 3.1Å; I392-L488 HydrophobicContact CD1-CD1 3.55Å; I392-L488 HydrophobicContact CD1-CG 4.08Å; I392-L488 HydrophobicContact CG2-CD2 4.22Å; I392-L488 HydrophobicContact CG2-CG 4.33Å; I392-M491 HydrophobicContact CD1-CB 4.49Å; I392-F492 HydrophobicContact CD1-CB 3.83Å; I392-F492 HydrophobicContact CD1-CD2 4.43Å; I392-F492 HydrophobicContact CD1-CG 4.14Å; I392-F492 HydrophobicContact CG1-CB 4.05Å; I392-F492 HydrophobicContact CG1-CD1 4.26Å; I392-F492 HydrophobicContact CG1-CD2 3.73Å; I392-F492 HydrophobicContact CG1-CE2 4.16Å; I392-F492 HydrophobicContact CG1-CG 3.77Å; I392-F492 HydrophobicContact CG2-CD1 4.06Å; I392-F492 HydrophobicContact CG2-CE1 4.23Å; I392-F492 HydrophobicContact CG2-CG 4.41Å; I392-F495 HydrophobicContact CD1-CD2 3.91Å; I392-F495 HydrophobicContact CD1-CE2 3.79Å; I392-F495 HydrophobicContact CG1-CD2 4.07Å; I392-F495 HydrophobicContact CG1-CE2 4.23Å; I392-W537 HydrophobicContact CG2-CH2 3.47Å; I392-W537 VanDerWaalsContact CG2-CH2 3.47Å; I392-W537 HydrophobicContact CG2-CZ2 4.29Å; I392-W537 HydrophobicContact CG2-CZ3 4.18Å; I392-L559 HydrophobicContact CG2-CD1 4.08Å
393	K	97.6	Very high	97.8	Very high	35 Å²	35	15.5 Å²	15.5	15%	0.152	9%	0.085	C	C	.	.	H	α-helix	trans	-54.9	-46.5	172.1	-179.6	-177.9	-178.8	175.7	0	112.5	F389 R390 C395 I396 T397 I556 L559 D560 E570	F389-K393 WeakPolarHBondContact O-CB 3.5Å; F389-K393 PolarHBondContact O-N 3.43Å; R390-K393 PolarHBondContact O-N 3.41Å; K393-C395 VanDerWaalsContact C-N 3.34Å; K393-C395 PolarHBondContact O-N 3.05Å; K393-I396 PolarHBondContact O-N 3.02Å; K393-T397 PolarHBondContact O-N 2.72Å; K393-T397 VanDerWaalsContact O-N 3.12Å; K393-T397 PolarHBondContact O-OG1 3.42Å; K393-I556 HydrophobicContact CG-CG2 4.24Å; K393-L559 HydrophobicContact CB-CD1 3.96Å; K393-D560 VanDerWaalsContact CD-OD1 3.26Å; K393-D560 WeakPolarHBondContact CD-OD1 3.27Å; K393-D560 WeakPolarHBondContact CE-OD1 3.41Å; K393-D560 WeakPolarHBondContact CE-OD2 3.39Å; K393-D560 IonicContact NZ-OD1 2.69Å; K393-D560 PolarHBondContact NZ-OD1 3.32Å; K393-D560 IonicContact NZ-OD2 2.68Å; K393-D560 PolarHBondContact NZ-OD2 2.84Å; K393-E570 WeakPolarHBondContact CE-OE1 3.36Å; K393-E570 IonicContact NZ-OE1 3.53Å; K393-E570 PolarHBondContact NZ-OE1 3.34Å
394	Q	97.4	Very high	97.8	Very high	29 Å²	29	18.7 Å²	18.7	14%	0.136	10%	0.102	C	C	.	.	H	α-helix	trans	-64.1	-38.6	174.7	-67	-163.1	57.8	0	0	112	N346 R390 L391 I392 T397 A398 V431 V433 Y574	N346-Q394 PolarHBondContact ND2-OE1 2.95Å; R390-Q394 PolarHBondContact O-N 3.33Å; R390-Q394 VanDerWaalsContact O-N 3.15Å; L391-Q394 PolarHBondContact O-N 2.94Å; I392-Q394 PolarHBondContact O-N 2.81Å; Q394-T397 WeakPolarHBondContact O-CB 3.22Å; Q394-T397 PolarHBondContact O-N 3.37Å; Q394-A398 PolarHBondContact O-N 2.86Å; Q394-V431 PolarHBondContact NE2-O 3.39Å; Q394-V433 HydrophobicContact CB-CB 4.12Å; Q394-V433 HydrophobicContact CB-CG2 4.25Å; Q394-Y574 PolarHBondContact NE2-OH 3.48Å; Q394-Y574 VanDerWaalsContact NE2-OH 3.09Å
395	C	98.4	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.5	-41	175.9	-63.5	0	0	0	0	112.7	L391 I392 K393 T397 A398 L399 F417 L488	L391-C395 PolarHBondContact O-N 2.92Å; L391-C395 PolarHBondContact O-SG 2.84Å; I392-C395 CarbonylContact O-C 3.59Å; I392-C395 WeakPolarHBondContact O-CA 3.12Å; I392-C395 WeakPolarHBondContact O-CB 3.43Å; I392-C395 PolarHBondContact O-N 3.02Å; K393-C395 VanDerWaalsContact C-N 3.34Å; K393-C395 PolarHBondContact O-N 3.05Å; C395-T397 VanDerWaalsContact C-N 3.31Å; C395-T397 PolarHBondContact O-N 3.16Å; C395-A398 PolarHBondContact O-N 2.9Å; C395-L399 WeakPolarHBondContact O-CG 3.14Å; C395-L399 PolarHBondContact O-N 3.13Å; C395-F417 HydrophobicContact CB-CD1 4.38Å; C395-F417 HydrophobicContact CB-CE1 3.77Å; C395-F417 HydrophobicContact CB-CZ 3.85Å; C395-L488 HydrophobicContact CB-CD1 3.54Å; C395-L488 HydrophobicContact CB-CD2 4.17Å
396	I	98.3	Very high	97.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.7	-43.5	173	-54.9	160.8	0	0	0	110	I392 K393 A398 L399 K400 L488 W537 Y552 L555 I556 L559	I392-I396 HydrophobicContact CG2-CD1 4.49Å; I392-I396 WeakPolarHBondContact O-CG1 3.36Å; I392-I396 PolarHBondContact O-N 3.1Å; K393-I396 PolarHBondContact O-N 3.02Å; I396-A398 VanDerWaalsContact C-N 3.34Å; I396-A398 PolarHBondContact O-N 3.04Å; I396-L399 PolarHBondContact O-N 3.12Å; I396-K400 VanDerWaalsContact O-CB 3.3Å; I396-K400 WeakPolarHBondContact O-CB 3.17Å; I396-K400 PolarHBondContact O-N 2.87Å; I396-L488 HydrophobicContact CG1-CD2 3.73Å; I396-W537 HydrophobicContact CD1-CH2 3.58Å; I396-W537 HydrophobicContact CD1-CZ2 3.56Å; I396-W537 HydrophobicContact CG1-CH2 4.02Å; I396-W537 HydrophobicContact CG1-CZ2 4.48Å; I396-Y552 HydrophobicContact CG2-CD1 4.06Å; I396-L555 HydrophobicContact CD1-CB 4.25Å; I396-I556 HydrophobicContact CB-CD1 4.28Å; I396-I556 HydrophobicContact CB-CG1 4.08Å; I396-I556 HydrophobicContact CD1-CG1 3.77Å; I396-I556 HydrophobicContact CG2-CD1 3.9Å; I396-I556 HydrophobicContact CG2-CG1 3.88Å; I396-L559 HydrophobicContact CD1-CD1 3.8Å
397	T	97.4	Very high	97.8	Very high	44 Å²	44	13.4 Å²	13.4	27%	0.27	7%	0.069	S	C	.	.	H	α-helix	trans	-62.3	-40.5	-178.5	-55.8	0	0	0	0	111.9	P345 N346 K393 Q394 C395 S401	P345-T397 HydrophobicContact CG-CG2 4.44Å; N346-T397 WeakPolarHBondContact OD1-CG2 3.45Å; K393-T397 PolarHBondContact O-N 2.72Å; K393-T397 VanDerWaalsContact O-N 3.12Å; K393-T397 PolarHBondContact O-OG1 3.42Å; Q394-T397 WeakPolarHBondContact O-CB 3.22Å; Q394-T397 PolarHBondContact O-N 3.37Å; C395-T397 VanDerWaalsContact C-N 3.31Å; C395-T397 PolarHBondContact O-N 3.16Å; T397-S401 WeakPolarHBondContact O-CB 3.24Å; T397-S401 PolarHBondContact O-N 3.02Å; T397-S401 VanDerWaalsContact O-N 3.07Å; T397-S401 PolarHBondContact O-OG 3Å
398	A	98.1	Very high	97.8	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.008	7%	0.069	C	C	.	.	H	α-helix	trans	-66.9	-47.5	174.3	0	0	0	0	0	112.5	N346 Q394 C395 I396 S401 L402 F417 L435	N346-A398 HydrophobicContact CB-CB 3.65Å; Q394-A398 PolarHBondContact O-N 2.86Å; C395-A398 PolarHBondContact O-N 2.9Å; I396-A398 VanDerWaalsContact C-N 3.34Å; I396-A398 PolarHBondContact O-N 3.04Å; A398-S401 WeakPolarHBondContact O-CB 3.49Å; A398-S401 PolarHBondContact O-N 2.85Å; A398-L402 PolarHBondContact O-N 2.77Å; A398-F417 HydrophobicContact CB-CE1 4.32Å; A398-L435 HydrophobicContact CB-CB 3.85Å; A398-L435 HydrophobicContact CB-CD2 4.2Å
399	L	98.7	Very high	97.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-40	178.4	-69.2	176.9	0	0	0	112	C395 I396 S401 L402 H403 H409 V412 F417 L435 L485 L488	C395-L399 WeakPolarHBondContact O-CG 3.14Å; C395-L399 PolarHBondContact O-N 3.13Å; I396-L399 PolarHBondContact O-N 3.12Å; L399-S401 VanDerWaalsContact C-N 3.32Å; L399-S401 PolarHBondContact O-N 3.34Å; L399-L402 WeakPolarHBondContact O-CB 3.4Å; L399-L402 PolarHBondContact O-N 3.22Å; L399-H403 WeakPolarHBondContact O-CB 3.32Å; L399-H403 PolarHBondContact O-CD2 3.21Å; L399-H403 VanDerWaalsContact O-CD2 3.26Å; L399-H403 PolarHBondContact O-N 3.11Å; L399-H409 HydrophobicContact CD2-CB 4.3Å; L399-V412 HydrophobicContact CD1-CG1 4.07Å; L399-V412 HydrophobicContact CD1-CG2 4.25Å; L399-V412 HydrophobicContact CD2-CG2 3.65Å; L399-F417 HydrophobicContact CG-CZ 4.42Å; L399-L435 HydrophobicContact CD2-CD2 4.12Å; L399-L485 HydrophobicContact CD1-CD2 4.33Å; L399-L488 HydrophobicContact CD1-CB 4.48Å; L399-L488 HydrophobicContact CD1-CD2 4.24Å
400	K	98.1	Very high	97.9	Very high	52 Å²	52	15.7 Å²	15.7	23%	0.226	8%	0.078	C	C	.	.	H	α-helix	trans	-58.4	-45.8	172.1	-170.6	-168	-173.6	-49.2	0	110.5	I396 L402 H403 D404 Y552	I396-K400 VanDerWaalsContact O-CB 3.3Å; I396-K400 WeakPolarHBondContact O-CB 3.17Å; I396-K400 PolarHBondContact O-N 2.87Å; K400-L402 VanDerWaalsContact C-N 3.31Å; K400-L402 PolarHBondContact O-N 2.77Å; K400-H403 PolarHBondContact O-N 3.16Å; K400-D404 IonicContact NZ-OD1 2.74Å; K400-D404 PolarHBondContact NZ-OD1 3.33Å; K400-D404 IonicContact NZ-OD2 2.68Å; K400-D404 PolarHBondContact NZ-OD2 2.93Å; K400-D404 WeakPolarHBondContact O-CB 3.4Å; K400-D404 PolarHBondContact O-N 3.08Å; K400-Y552 HydrophobicContact CB-CD1 3.9Å; K400-Y552 HydrophobicContact CB-CD2 4.46Å; K400-Y552 HydrophobicContact CB-CE1 4.25Å; K400-Y552 HydrophobicContact CB-CG 4.02Å; K400-Y552 HydrophobicContact CD-CD2 4.12Å; K400-Y552 HydrophobicContact CD-CG 4.05Å; K400-Y552 HydrophobicContact CG-CD1 4.1Å; K400-Y552 HydrophobicContact CG-CD2 3.75Å; K400-Y552 HydrophobicContact CG-CE1 4.44Å; K400-Y552 HydrophobicContact CG-CE2 4.11Å; K400-Y552 HydrophobicContact CG-CG 3.74Å
401	S	97.7	Very high	97.9	Very high	11 Å²	11	15.9 Å²	15.9	8%	0.077	8%	0.079	C	C	.	.	H	α-helix	trans	-60.7	-38.5	178.1	-63.4	0	0	0	0	112.7	L341 T397 A398 L399 A405	L341-S401 VanDerWaalsContact CD2-O 3.24Å; L341-S401 WeakPolarHBondContact CD2-O 3.47Å; T397-S401 WeakPolarHBondContact O-CB 3.24Å; T397-S401 PolarHBondContact O-N 3.02Å; T397-S401 VanDerWaalsContact O-N 3.07Å; T397-S401 PolarHBondContact O-OG 3Å; A398-S401 WeakPolarHBondContact O-CB 3.49Å; A398-S401 PolarHBondContact O-N 2.85Å; L399-S401 VanDerWaalsContact C-N 3.32Å; L399-S401 PolarHBondContact O-N 3.34Å; S401-A405 WeakPolarHBondContact O-CB 3.37Å; S401-A405 PolarHBondContact O-N 2.9Å
402	L	98.3	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.4	-44.4	172.8	-179	68.4	0	0	0	112.6	V337 L341 A398 L399 K400 A405 G406 F407 H409 L435 F438	V337-L402 HydrophobicContact CG1-CD1 3.67Å; L341-L402 HydrophobicContact CD1-CD1 3.78Å; A398-L402 PolarHBondContact O-N 2.77Å; L399-L402 WeakPolarHBondContact O-CB 3.4Å; L399-L402 PolarHBondContact O-N 3.22Å; K400-L402 VanDerWaalsContact C-N 3.31Å; K400-L402 PolarHBondContact O-N 2.77Å; L402-A405 CarbonylContact O-C 3.51Å; L402-A405 WeakPolarHBondContact O-CA 3.3Å; L402-A405 WeakPolarHBondContact O-CB 3.46Å; L402-A405 PolarHBondContact O-N 3.03Å; L402-A405 VanDerWaalsContact O-N 3.17Å; L402-G406 PolarHBondContact O-N 3.34Å; L402-F407 CarbonylContact C-O 3.43Å; L402-F407 HydrophobicContact CD1-CB 3.7Å; L402-F407 HydrophobicContact CG-CB 4.16Å; L402-F407 PolarHBondContact O-N 3.16Å; L402-H409 HydrophobicContact CD2-CB 3.53Å; L402-L435 HydrophobicContact CB-CD2 4.48Å; L402-L435 HydrophobicContact CD2-CD2 4.23Å; L402-F438 HydrophobicContact CD1-CD1 4.08Å; L402-F438 HydrophobicContact CD1-CE1 3.96Å; L402-F438 HydrophobicContact CD2-CE1 4.39Å
403	H	98.3	Very high	97.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-70.2	-39.9	-178.4	-64.9	177.3	0	0	0	111.9	L399 K400 A405 G406 F407 Y444 R481 D484 Y552	L399-H403 WeakPolarHBondContact O-CB 3.32Å; L399-H403 PolarHBondContact O-CD2 3.21Å; L399-H403 VanDerWaalsContact O-CD2 3.26Å; L399-H403 PolarHBondContact O-N 3.11Å; K400-H403 PolarHBondContact O-N 3.16Å; H403-A405 PolarHBondContact O-N 3.09Å; H403-G406 PolarHBondContact O-N 3.4Å; H403-F407 WeakPolarHBondContact CA-O 3.39Å; H403-F407 PolarHBondContact CD2-O 3.03Å; H403-F407 VanDerWaalsContact CD2-O 3.29Å; H403-Y444 WeakPolarHBondContact O-CE1 3.16Å; H403-Y444 PolarHBondContact O-OH 2.7Å; H403-R481 HydrophobicContact CB-CG 4.23Å; H403-R481 PolarHBondContact CE1-O 3.2Å; H403-D484 IonicContact NE2-OD2 3.75Å; H403-D484 PolarHBondContact NE2-OD2 3.5Å; H403-Y552 WeakPolarHBondContact CB-OH 3.43Å; H403-Y552 AromaticContact ND1-CE1 3.74Å; H403-Y552 AromaticContact ND1-CZ 3.68Å; H403-Y552 PolarHBondContact ND1-OH 3.04Å
404	D	96.6	Very high	98	Very high	71 Å²	71	15.5 Å²	15.5	38%	0.38	8%	0.078	S	C	.	.	H	α-helix	trans	-58.9	-33.9	170.2	-70.1	-8.3	0	0	0	110.7	K400 G406 P449	K400-D404 IonicContact NZ-OD1 2.74Å; K400-D404 PolarHBondContact NZ-OD1 3.33Å; K400-D404 IonicContact NZ-OD2 2.68Å; K400-D404 PolarHBondContact NZ-OD2 2.93Å; K400-D404 WeakPolarHBondContact O-CB 3.4Å; K400-D404 PolarHBondContact O-N 3.08Å; D404-G406 PolarHBondContact O-N 2.82Å; D404-P449 WeakPolarHBondContact O-CB 3.49Å
405	A	96.7	Very high	98	Very high	9 Å²	9	15.4 Å²	15.4	7%	0.074	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	3.1	175.4	0	0	0	0	0	114.7	R340 L341 S401 L402 H403 F407 P449	R340-A405 HydrophobicContact CG-CB 4.26Å; L341-A405 HydrophobicContact CD2-CB 3.51Å; L341-A405 HydrophobicContact CG-CB 4.28Å; S401-A405 WeakPolarHBondContact O-CB 3.37Å; S401-A405 PolarHBondContact O-N 2.9Å; L402-A405 CarbonylContact O-C 3.51Å; L402-A405 WeakPolarHBondContact O-CA 3.3Å; L402-A405 WeakPolarHBondContact O-CB 3.46Å; L402-A405 PolarHBondContact O-N 3.03Å; L402-A405 VanDerWaalsContact O-N 3.17Å; H403-A405 PolarHBondContact O-N 3.09Å; A405-F407 HydrophobicContact CB-CD2 4.25Å; A405-F407 WeakPolarHBondContact O-CD2 3.45Å; A405-F407 WeakPolarHBondContact O-CE2 3.32Å; A405-P449 WeakPolarHBondContact O-CG 3.35Å
406	G	97.2	Very high	97.9	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.01	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	9	175.1	0	0	0	0	0	115.3	L402 H403 D404 P443 Y444 T445	L402-G406 PolarHBondContact O-N 3.34Å; H403-G406 PolarHBondContact O-N 3.4Å; D404-G406 PolarHBondContact O-N 2.82Å; G406-P443 CarbonylContact O-C 3.56Å; G406-P443 WeakPolarHBondContact O-CA 3.47Å; G406-Y444 VanDerWaalsContact C-CD1 3.41Å; G406-Y444 WeakPolarHBondContact O-CD1 3.19Å; G406-Y444 PolarHBondContact O-N 3.24Å; G406-T445 PolarHBondContact O-OG1 3.26Å
407	F	98.1	Very high	97.9	Very high	25 Å²	25	15.9 Å²	15.9	11%	0.11	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	156.8	-179.4	-61.9	-89.9	0	0	0	112.4	M333 V337 R340 L402 H403 A405 R442 P443	M333-F407 HydrophobicContact SD-CE1 3.97Å; V337-F407 HydrophobicContact CG2-CD1 3.55Å; V337-F407 HydrophobicContact CG2-CD2 4.27Å; V337-F407 HydrophobicContact CG2-CE1 3.55Å; V337-F407 HydrophobicContact CG2-CE2 4.29Å; V337-F407 HydrophobicContact CG2-CG 3.92Å; V337-F407 HydrophobicContact CG2-CZ 3.95Å; R340-F407 HydrophobicContact CB-CE2 4.26Å; R340-F407 HydrophobicContact CG-CE2 4.27Å; L402-F407 CarbonylContact C-O 3.43Å; L402-F407 HydrophobicContact CD1-CB 3.7Å; L402-F407 HydrophobicContact CG-CB 4.16Å; L402-F407 PolarHBondContact O-N 3.16Å; H403-F407 WeakPolarHBondContact CA-O 3.39Å; H403-F407 PolarHBondContact CD2-O 3.03Å; H403-F407 VanDerWaalsContact CD2-O 3.29Å; A405-F407 HydrophobicContact CB-CD2 4.25Å; A405-F407 WeakPolarHBondContact O-CD2 3.45Å; A405-F407 WeakPolarHBondContact O-CE2 3.32Å; F407-R442 CarbonylContact C-O 3.59Å; F407-R442 WeakPolarHBondContact CA-O 3.12Å; F407-P443 HydrophobicContact CD1-CB 4.34Å; F407-P443 HydrophobicContact CD1-CG 4.04Å; F407-P443 HydrophobicContact CE1-CB 4.31Å; F407-P443 HydrophobicContact CE1-CG 3.73Å
408	L	98.2	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	153.8	164.2	-60.1	174.6	0	0	0	109.2	R410 A441 R442 Y444 L479 R481	L408-R410 HydrophobicContact CB-CG 3.85Å; L408-A441 WeakPolarHBondContact O-CA 3.38Å; L408-A441 VanDerWaalsContact O-CB 3.29Å; L408-A441 WeakPolarHBondContact O-CB 3.44Å; L408-R442 PolarHBondContact N-O 3.33Å; L408-R442 PolarHBondContact O-N 2.94Å; L408-R442 VanDerWaalsContact O-N 3.14Å; L408-Y444 HydrophobicContact CD2-CD1 3.82Å; L408-Y444 HydrophobicContact CD2-CE1 4.36Å; L408-Y444 HydrophobicContact CD2-CG 4.27Å; L408-Y444 HydrophobicContact CG-CD1 3.78Å; L408-Y444 HydrophobicContact CG-CG 4.11Å; L408-L479 WeakPolarHBondContact CD1-O 3.43Å; L408-R481 HydrophobicContact CD2-CB 4.23Å; L408-R481 HydrophobicContact CD2-CG 3.65Å
409	H	98.5	Very high	97.8	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.077	C	C	.	.			trans	-84.1	-51.1	177.5	-161.1	-89.4	0	0	0	111.4	L399 L402 D411 V412 N416 L436 D437 F438 L440 D484	L399-H409 HydrophobicContact CD2-CB 4.3Å; L402-H409 HydrophobicContact CD2-CB 3.53Å; H409-D411 PolarHBondContact CE1-O 2.94Å; H409-D411 PolarHBondContact ND1-N 2.84Å; H409-D411 PolarHBondContact ND1-O 3.27Å; H409-D411 PolarHBondContact O-N 3.42Å; H409-V412 HydrophobicContact CB-CG2 3.73Å; H409-V412 PolarHBondContact ND1-N 3.01Å; H409-N416 PolarHBondContact CE1-ND2 3.28Å; H409-L436 PolarHBondContact CE1-O 3.48Å; H409-L436 VanDerWaalsContact CE1-O 3.31Å; H409-L436 PolarHBondContact NE2-O 3.42Å; H409-D437 PolarHBondContact CE1-O 3.13Å; H409-D437 VanDerWaalsContact CE1-O 3.31Å; H409-D437 VanDerWaalsContact NE2-C 3.31Å; H409-D437 PolarHBondContact NE2-O 2.79Å; H409-F438 AromaticContact CD2-CD1 3.83Å; H409-F438 AromaticContact CD2-CE1 3.94Å; H409-F438 AromaticContact NE2-CD1 3.81Å; H409-F438 AromaticContact NE2-CE1 3.91Å; H409-L440 CarbonylContact O-C 3.29Å; H409-D484 PolarHBondContact N-OD2 3.23Å
410	R	98.2	Very high	97.4	Very high	47 Å²	47	18.8 Å²	18.8	18%	0.177	9%	0.094	C	C	.	.	S	Bend	trans	64.6	6.5	-179.8	-48.9	-173.4	-58.4	170.2	-1.7	116	L408 L440 L479 D484	L408-R410 HydrophobicContact CB-CG 3.85Å; R410-L440 PolarHBondContact NE-O 2.92Å; R410-L440 PolarHBondContact NH2-O 2.86Å; R410-L479 HydrophobicContact CB-CD1 4.03Å; R410-L479 HydrophobicContact CG-CB 4.37Å; R410-L479 HydrophobicContact CG-CD1 4.06Å; R410-D484 VanDerWaalsContact CA-OD1 3.24Å; R410-D484 WeakPolarHBondContact CA-OD1 3.31Å; R410-D484 PolarHBondContact N-OD1 2.9Å; R410-D484 PolarHBondContact N-OD2 3.48Å
411	D	97.9	Very high	96.8	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.043	10%	0.098	C	C	.	.			trans	-146.7	47.2	175	-164.8	45.1	0	0	0	111.4	H409 K413 N416 L440 G464 T465	H409-D411 PolarHBondContact CE1-O 2.94Å; H409-D411 PolarHBondContact ND1-N 2.84Å; H409-D411 PolarHBondContact ND1-O 3.27Å; H409-D411 PolarHBondContact O-N 3.42Å; D411-K413 PolarHBondContact O-N 3.26Å; D411-K413 IonicContact OD1-NZ 3.75Å; D411-K413 PolarHBondContact OD1-NZ 3.34Å; D411-K413 VanDerWaalsContact OD2-CE 3.31Å; D411-K413 WeakPolarHBondContact OD2-CE 3.45Å; D411-K413 IonicContact OD2-NZ 3.91Å; D411-K413 PolarHBondContact OD2-NZ 3.33Å; D411-N416 PolarHBondContact O-ND2 3.3Å; D411-N416 PolarHBondContact OD2-ND2 2.78Å; D411-N416 VanDerWaalsContact OD2-ND2 3.16Å; D411-L440 HydrophobicContact CB-CB 4.23Å; D411-L440 HydrophobicContact CB-CD1 3.76Å; D411-G464 WeakPolarHBondContact OD1-CA 3.41Å; D411-T465 PolarHBondContact OD1-N 2.7Å; D411-T465 PolarHBondContact OD1-OG1 3.29Å
412	V	98.7	Very high	95.3	Very high	2 Å²	2	23 Å²	23	1%	0.012	13%	0.128	C	C	.	.			trans	-71.3	113.7	178.3	177	0	0	0	0	109.5	L399 H409 F417 Y468 D484 M491	L399-V412 HydrophobicContact CD1-CG1 4.07Å; L399-V412 HydrophobicContact CD1-CG2 4.25Å; L399-V412 HydrophobicContact CD2-CG2 3.65Å; H409-V412 HydrophobicContact CB-CG2 3.73Å; H409-V412 PolarHBondContact ND1-N 3.01Å; V412-F417 HydrophobicContact CG1-CE2 3.88Å; V412-F417 HydrophobicContact CG1-CZ 4.21Å; V412-Y468 WeakPolarHBondContact O-CB 3.46Å; V412-D484 HydrophobicContact CG2-CB 3.75Å; V412-D484 WeakPolarHBondContact CG2-OD1 3.15Å; V412-M491 HydrophobicContact CG1-SD 3.84Å
413	K	98.2	Very high	93	Very high	25 Å²	25	29 Å²	29	11%	0.109	16%	0.156	C	C	.	.			trans	-158.6	159.2	-177	66.5	-163.7	-169.2	-158.6	0	111.8	D411 S415 N416 F417 T465 Y468 M491	D411-K413 PolarHBondContact O-N 3.26Å; D411-K413 IonicContact OD1-NZ 3.75Å; D411-K413 PolarHBondContact OD1-NZ 3.34Å; D411-K413 VanDerWaalsContact OD2-CE 3.31Å; D411-K413 WeakPolarHBondContact OD2-CE 3.45Å; D411-K413 IonicContact OD2-NZ 3.91Å; D411-K413 PolarHBondContact OD2-NZ 3.33Å; K413-S415 WeakPolarHBondContact CE-OG 3.36Å; K413-S415 WeakPolarHBondContact CG-OG 3.26Å; K413-S415 PolarHBondContact O-N 2.66Å; K413-S415 VanDerWaalsContact O-N 3.08Å; K413-N416 WeakPolarHBondContact CE-ND2 3.09Å; K413-N416 VanDerWaalsContact CE-OD1 3.26Å; K413-N416 WeakPolarHBondContact CE-OD1 3.26Å; K413-N416 HydrophobicContact CG-CB 4.12Å; K413-N416 PolarHBondContact O-N 3.1Å; K413-F417 WeakPolarHBondContact O-CD2 3.45Å; K413-T465 HydrophobicContact CD-CG2 4.29Å; K413-T465 WeakPolarHBondContact CD-OG1 3.45Å; K413-T465 PolarHBondContact NZ-OG1 3.49Å; K413-Y468 HydrophobicContact CB-CD2 3.36Å; K413-Y468 HydrophobicContact CB-CE2 3.6Å; K413-Y468 HydrophobicContact CB-CG 3.99Å; K413-M491 VanDerWaalsContact CA-SD 3.59Å
414	P	98.4	Very high	90.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.6	-172.6	-20.6	33.6	0	0	0	115.5	L371 S372 N416 Y468 M491 F495	L371-P414 CarbonylContact C-O 3.58Å; L371-P414 WeakPolarHBondContact CA-O 3.25Å; L371-P414 HydrophobicContact CB-CB 4.17Å; L371-P414 WeakPolarHBondContact CB-O 3.46Å; L371-P414 PolarHBondContact N-O 3.16Å; S372-P414 PolarHBondContact N-O 2.96Å; P414-N416 VanDerWaalsContact C-N 3.34Å; P414-Y468 HydrophobicContact CG-CE1 4.07Å; P414-M491 HydrophobicContact CB-CE 4.43Å; P414-M491 HydrophobicContact CG-CB 4.44Å; P414-M491 HydrophobicContact CG-CE 4.12Å; P414-M491 HydrophobicContact CG-CG 3.83Å; P414-M491 HydrophobicContact CG-SD 4.27Å; P414-F495 HydrophobicContact CB-CE1 3.89Å; P414-F495 HydrophobicContact CB-CZ 4.32Å; P414-F495 HydrophobicContact CG-CE1 3.76Å; P414-F495 HydrophobicContact CG-CZ 4.39Å
415	S	97.2	Very high	87.8	Confident	27 Å²	27	36 Å²	36	19%	0.189	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-22.6	170.6	63.9	0	0	0	0	113.2	N370 K413 F417	N370-S415 WeakPolarHBondContact CB-O 3.23Å; K413-S415 WeakPolarHBondContact CE-OG 3.36Å; K413-S415 WeakPolarHBondContact CG-OG 3.26Å; K413-S415 PolarHBondContact O-N 2.66Å; K413-S415 VanDerWaalsContact O-N 3.08Å; S415-F417 VanDerWaalsContact C-N 3.3Å
416	N	98	Very high	85.3	Confident	10 Å²	10	40.1 Å²	40.1	5%	0.053	21%	0.208	C	C	.	.	S	Bend	trans	-94.8	10.1	-175.7	-64	6.4	0	0	0	111.7	H409 D411 K413 P414 L436	H409-N416 PolarHBondContact CE1-ND2 3.28Å; D411-N416 PolarHBondContact O-ND2 3.3Å; D411-N416 PolarHBondContact OD2-ND2 2.78Å; D411-N416 VanDerWaalsContact OD2-ND2 3.16Å; K413-N416 WeakPolarHBondContact CE-ND2 3.09Å; K413-N416 VanDerWaalsContact CE-OD1 3.26Å; K413-N416 WeakPolarHBondContact CE-OD1 3.26Å; K413-N416 HydrophobicContact CG-CB 4.12Å; K413-N416 PolarHBondContact O-N 3.1Å; P414-N416 VanDerWaalsContact C-N 3.34Å; N416-L436 WeakPolarHBondContact O-CB 3.37Å; N416-L436 PolarHBondContact O-N 2.88Å
417	F	98.4	Very high	82.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.6	166.2	-66.9	-86.9	0	0	0	108.4	N370 L371 C395 A398 L399 V412 K413 S415 V433 T434 L435 M491	N370-F417 CarbonylContact C-O 3.58Å; N370-F417 WeakPolarHBondContact CA-O 3.08Å; N370-F417 WeakPolarHBondContact CB-O 3.37Å; L371-F417 HydrophobicContact CD1-CB 3.67Å; L371-F417 HydrophobicContact CD1-CG 4.43Å; L371-F417 HydrophobicContact CG-CB 3.88Å; L371-F417 PolarHBondContact N-O 2.84Å; C395-F417 HydrophobicContact CB-CD1 4.38Å; C395-F417 HydrophobicContact CB-CE1 3.77Å; C395-F417 HydrophobicContact CB-CZ 3.85Å; A398-F417 HydrophobicContact CB-CE1 4.32Å; L399-F417 HydrophobicContact CG-CZ 4.42Å; V412-F417 HydrophobicContact CG1-CE2 3.88Å; V412-F417 HydrophobicContact CG1-CZ 4.21Å; K413-F417 WeakPolarHBondContact O-CD2 3.45Å; S415-F417 VanDerWaalsContact C-N 3.3Å; F417-V433 HydrophobicContact CB-CG1 3.79Å; F417-V433 HydrophobicContact CD1-CG1 3.99Å; F417-V433 HydrophobicContact CG-CG1 4.33Å; F417-T434 VanDerWaalsContact CA-O 3.31Å; F417-T434 WeakPolarHBondContact CA-O 3.45Å; F417-L435 HydrophobicContact CD1-CB 4.28Å; F417-L435 HydrophobicContact CD1-CD1 4.14Å; F417-L435 HydrophobicContact CE1-CB 4.12Å; F417-L435 HydrophobicContact CE1-CD1 3.66Å; F417-L435 HydrophobicContact CE1-CG 4.41Å; F417-L435 HydrophobicContact CE2-CD1 4.3Å; F417-L435 HydrophobicContact CZ-CD1 3.76Å; F417-M491 HydrophobicContact CD2-CE 3.68Å; F417-M491 HydrophobicContact CD2-SD 4.26Å; F417-M491 HydrophobicContact CE2-CE 3.72Å; F417-M491 HydrophobicContact CE2-SD 3.89Å
418	A	97.3	Very high	80.2	Confident	2 Å²	2	47.2 Å²	47.2	2%	0.017	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.4	178.2	0	0	0	0	0	112.4	Q367 K369 N370 V433 T434 L436	Q367-A418 HydrophobicContact CB-CB 3.96Å; K369-A418 WeakPolarHBondContact O-CA 3.36Å; K369-A418 WeakPolarHBondContact O-CB 3.31Å; N370-A418 HydrophobicContact CB-CB 4.23Å; A418-V433 CarbonylContact O-C 3.6Å; A418-T434 PolarHBondContact N-O 3.05Å; A418-T434 PolarHBondContact O-N 3.44Å; A418-L436 HydrophobicContact CB-CD1 3.73Å
419	I	95.3	Very high	77.9	Confident	28 Å²	28	51.5 Å²	51.5	14%	0.144	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	145	175.5	64.7	176.4	0	0	0	110.3	G368 K369 L371 I374 V431 E432 W576	G368-I419 WeakPolarHBondContact CA-O 3.1Å; G368-I419 PolarHBondContact N-O 3.47Å; K369-I419 PolarHBondContact O-N 3.06Å; L371-I419 HydrophobicContact CD2-CG2 4.44Å; I374-I419 HydrophobicContact CD1-CD1 3.95Å; I374-I419 HydrophobicContact CD1-CG1 4.13Å; I374-I419 HydrophobicContact CD1-CG2 3.65Å; I419-V431 HydrophobicContact CB-CG1 3.69Å; I419-V431 HydrophobicContact CG2-CG1 3.44Å; I419-V431 VanDerWaalsContact CG2-CG1 3.44Å; I419-E432 CarbonylContact C-O 3.59Å; I419-E432 WeakPolarHBondContact CA-O 3.23Å; I419-W576 HydrophobicContact CG2-CZ2 4.13Å
420	Q	91.3	Very high	76.5	Confident	75 Å²	75	58.8 Å²	58.8	35%	0.35	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-65.4	158.7	172.2	-71.6	-172.8	35.7	0	0	111.6	E432 T434	Q420-E432 HydrophobicContact CG-CB 4.05Å; Q420-E432 PolarHBondContact N-O 3.44Å; Q420-E432 VanDerWaalsContact NE2-CB 3.29Å; Q420-E432 PolarHBondContact NE2-OE2 3.47Å; Q420-T434 WeakPolarHBondContact CG-OG1 3.45Å
421	R	84.4	Confident	75.9	Confident	83 Å²	83	57.5 Å²	57.5	31%	0.313	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-92.6	125.2	174.3	-58.9	-177.4	95.7	-159.1	24.2	110	D314 R316 L366 Q367	D314-R421 IonicContact OD1-NH1 2.68Å; D314-R421 PolarHBondContact OD1-NH1 2.64Å; D314-R421 IonicContact OD2-CZ 2.79Å; D314-R421 IonicContact OD2-NE 2.99Å; D314-R421 IonicContact OD2-NH1 2.64Å; D314-R421 PolarHBondContact OD2-NH1 2.78Å; R316-R421 VanDerWaalsContact CZ-NH1 3.28Å; L366-R421 WeakPolarHBondContact O-CD 3.44Å; L366-R421 WeakPolarHBondContact O-CG 3.24Å; Q367-R421 WeakPolarHBondContact O-CD 3.38Å
422	G	66.9	Low	75.6	Confident	68 Å²	68	61.1 Å²	61.1	70%	0.701	32%	0.324	S	S	*	.			trans	-168.5	150.5	166.7	0	0	0	0	0	108.3
423	E	49.2	Very low	75.4	Confident	128 Å²	128	61.1 Å²	61.1	60%	0.598	32%	0.324	S	S	*	.			trans	-70.9	135.8	153.8	-69.8	169.2	157.9	0	0	107	R425	E423-R425 HydrophobicContact CB-CG 3.75Å; E423-R425 PolarHBondContact O-N 3.34Å; E423-R425 IonicContact OE2-CZ 3.01Å; E423-R425 IonicContact OE2-NE 2.71Å; E423-R425 PolarHBondContact OE2-NE 3.03Å; E423-R425 IonicContact OE2-NH2 2.64Å; E423-R425 PolarHBondContact OE2-NH2 2.78Å
424	T	46	Very low	75.4	Confident	85 Å²	85	59.9 Å²	59.9	52%	0.521	32%	0.319	S	S	.	.			trans	-71.5	67.3	166.4	51.9	0	0	0	0	108.9	D426	T424-D426 CarbonylContact C-O 3.42Å; T424-D426 PolarHBondContact O-N 3.23Å
425	R	40.2	Very low	75.4	Confident	131 Å²	131	59.9 Å²	59.9	49%	0.494	32%	0.319	S	S	.	.	S	Bend	trans	-61.2	-21.8	-176.5	-72.8	-176.1	159	-146.1	-12.1	113.4	E423 L429	E423-R425 HydrophobicContact CB-CG 3.75Å; E423-R425 PolarHBondContact O-N 3.34Å; E423-R425 IonicContact OE2-CZ 3.01Å; E423-R425 IonicContact OE2-NE 2.71Å; E423-R425 PolarHBondContact OE2-NE 3.03Å; E423-R425 IonicContact OE2-NH2 2.64Å; E423-R425 PolarHBondContact OE2-NH2 2.78Å; R425-L429 HydrophobicContact CB-CD1 4.35Å
426	D	42.9	Very low	75.4	Confident	96 Å²	96	60.5 Å²	60.5	51%	0.513	32%	0.319	S	S	.	.	S	Bend	trans	-133	142.1	163	177.6	21.2	0	0	0	106.1	T424 S428 L429	T424-D426 CarbonylContact C-O 3.42Å; T424-D426 PolarHBondContact O-N 3.23Å; D426-S428 VanDerWaalsContact CG-OG 3.28Å; D426-S428 PolarHBondContact O-N 3.44Å; D426-S428 VanDerWaalsContact OD2-CB 3.29Å; D426-S428 WeakPolarHBondContact OD2-CB 3.25Å; D426-S428 PolarHBondContact OD2-OG 2.85Å; D426-L429 PolarHBondContact O-N 3.32Å
427	S	44.5	Very low	75.2	Confident	101 Å²	101	62.1 Å²	62.1	71%	0.706	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-5.2	-179	-56.9	0	0	0	0	112.8
428	S	44.1	Very low	75.1	Confident	74 Å²	74	62.5 Å²	62.5	52%	0.517	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.1	171.4	75.5	0	0	0	0	114.6	D426 R430	D426-S428 VanDerWaalsContact CG-OG 3.28Å; D426-S428 PolarHBondContact O-N 3.44Å; D426-S428 VanDerWaalsContact OD2-CB 3.29Å; D426-S428 WeakPolarHBondContact OD2-CB 3.25Å; D426-S428 PolarHBondContact OD2-OG 2.85Å; S428-R430 VanDerWaalsContact C-N 3.34Å; S428-R430 PolarHBondContact O-N 3.43Å
429	L	51.3	Low	75	Confident	90 Å²	90	62.8 Å²	62.8	47%	0.471	33%	0.333	S	S	.	.			trans	-76.8	81.2	-178.2	-77.1	170.3	0	0	0	111.5	R425 D426	R425-L429 HydrophobicContact CB-CD1 4.35Å; D426-L429 PolarHBondContact O-N 3.32Å
430	R	68.4	Low	75	Confident	155 Å²	155	61.9 Å²	61.9	59%	0.585	33%	0.329	S	S	*	.			trans	-54	143.8	-179.3	-60.2	-176.9	-178	-176.8	-4.1	113.1	S428 E432 E570	S428-R430 VanDerWaalsContact C-N 3.34Å; S428-R430 PolarHBondContact O-N 3.43Å; R430-E432 PolarHBondContact O-N 2.89Å; R430-E432 VanDerWaalsContact O-N 3.08Å; R430-E570 VanDerWaalsContact NH1-CB 3.3Å
431	V	85.7	Confident	75.3	Confident	19 Å²	19	58.8 Å²	58.8	12%	0.115	32%	0.315	C	S	.	.			trans	-67	106	171.2	-173.2	0	0	0	0	110.9	Q394 I419 Y574 W576 E577	Q394-V431 PolarHBondContact NE2-O 3.39Å; I419-V431 HydrophobicContact CB-CG1 3.69Å; I419-V431 HydrophobicContact CG2-CG1 3.44Å; I419-V431 VanDerWaalsContact CG2-CG1 3.44Å; V431-Y574 HydrophobicContact CB-CD2 3.86Å; V431-Y574 HydrophobicContact CB-CE2 3.75Å; V431-Y574 HydrophobicContact CG2-CD2 3.83Å; V431-Y574 HydrophobicContact CG2-CE2 4.19Å; V431-W576 HydrophobicContact CG1-CZ2 4.26Å; V431-E577 VanDerWaalsContact CG2-CD 3.5Å; V431-E577 HydrophobicContact CG2-CG 4.5Å; V431-E577 WeakPolarHBondContact CG2-OE1 3.35Å
432	E	90.9	Very high	75.8	Confident	85 Å²	85	56.6 Å²	56.6	40%	0.397	31%	0.307	S	S	.	.			trans	-83.3	136.7	167	-71.3	-167.6	-165.2	0	0	111.6	I419 Q420 R430	I419-E432 CarbonylContact C-O 3.59Å; I419-E432 WeakPolarHBondContact CA-O 3.23Å; Q420-E432 HydrophobicContact CG-CB 4.05Å; Q420-E432 PolarHBondContact N-O 3.44Å; Q420-E432 VanDerWaalsContact NE2-CB 3.29Å; Q420-E432 PolarHBondContact NE2-OE2 3.47Å; R430-E432 PolarHBondContact O-N 2.89Å; R430-E432 VanDerWaalsContact O-N 3.08Å
433	V	95.3	Very high	77.2	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.4	173.4	-177.5	0	0	0	0	109.5	N346 L371 L391 Q394 F417 A418	N346-V433 VanDerWaalsContact CA-O 3.27Å; N346-V433 WeakPolarHBondContact CA-O 3.08Å; N346-V433 WeakPolarHBondContact CB-O 3.02Å; N346-V433 PolarHBondContact ND2-O 2.91Å; L371-V433 HydrophobicContact CD1-CG1 4.25Å; L391-V433 HydrophobicContact CD2-CG2 3.51Å; Q394-V433 HydrophobicContact CB-CB 4.12Å; Q394-V433 HydrophobicContact CB-CG2 4.25Å; F417-V433 HydrophobicContact CB-CG1 3.79Å; F417-V433 HydrophobicContact CD1-CG1 3.99Å; F417-V433 HydrophobicContact CG-CG1 4.33Å; A418-V433 CarbonylContact O-C 3.6Å
434	T	97.2	Very high	79.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133	-179.8	-54.1	0	0	0	0	111.4	N346 C348 Q367 F417 A418 Q420 L436	N346-T434 CarbonylContact O-C 3.55Å; N346-T434 WeakPolarHBondContact O-CA 3.36Å; C348-T434 HydrophobicContact CB-CG2 4.49Å; Q367-T434 HydrophobicContact CG-CG2 4.44Å; Q367-T434 VanDerWaalsContact OE1-CB 3.29Å; Q367-T434 PolarHBondContact OE1-OG1 3.4Å; F417-T434 VanDerWaalsContact CA-O 3.31Å; F417-T434 WeakPolarHBondContact CA-O 3.45Å; A418-T434 PolarHBondContact N-O 3.05Å; A418-T434 PolarHBondContact O-N 3.44Å; Q420-T434 WeakPolarHBondContact CG-OG1 3.45Å; T434-L436 HydrophobicContact CG2-CD2 3.88Å
435	L	98.4	Very high	81.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.7	173.4	175.5	64.7	0	0	0	111.5	N346 I347 A398 L399 L402 F417 F438	N346-L435 PolarHBondContact O-N 3.31Å; I347-L435 HydrophobicContact CD1-CB 4.37Å; A398-L435 HydrophobicContact CB-CB 3.85Å; A398-L435 HydrophobicContact CB-CD2 4.2Å; L399-L435 HydrophobicContact CD2-CD2 4.12Å; L402-L435 HydrophobicContact CB-CD2 4.48Å; L402-L435 HydrophobicContact CD2-CD2 4.23Å; F417-L435 HydrophobicContact CD1-CB 4.28Å; F417-L435 HydrophobicContact CD1-CD1 4.14Å; F417-L435 HydrophobicContact CE1-CB 4.12Å; F417-L435 HydrophobicContact CE1-CD1 3.66Å; F417-L435 HydrophobicContact CE1-CG 4.41Å; F417-L435 HydrophobicContact CE2-CD1 4.3Å; F417-L435 HydrophobicContact CZ-CD1 3.76Å; L435-F438 HydrophobicContact CD2-CE1 3.96Å; L435-F438 HydrophobicContact CD2-CZ 4.37Å; L435-F438 HydrophobicContact CG-CE1 4.02Å; L435-F438 HydrophobicContact CG-CZ 4.13Å
436	L	97.2	Very high	84.5	Confident	39 Å²	39	42 Å²	42	20%	0.204	23%	0.227	C	C	.	.			trans	-126.8	169.8	-169.5	-48.4	-178.8	0	0	0	113.2	Q367 H409 N416 A418 T434	Q367-L436 HydrophobicContact CG-CD2 3.87Å; H409-L436 PolarHBondContact CE1-O 3.48Å; H409-L436 VanDerWaalsContact CE1-O 3.31Å; H409-L436 PolarHBondContact NE2-O 3.42Å; N416-L436 WeakPolarHBondContact O-CB 3.37Å; N416-L436 PolarHBondContact O-N 2.88Å; A418-L436 HydrophobicContact CB-CD1 3.73Å; T434-L436 HydrophobicContact CG2-CD2 3.88Å
437	D	95	Very high	86.8	Confident	45 Å²	45	44.1 Å²	44.1	24%	0.241	24%	0.238	C	C	.	.			trans	52.5	74.7	170.6	-160.8	24.8	0	0	0	116	K320 H409 G439	K320-D437 IonicContact NZ-OD1 3.64Å; K320-D437 PolarHBondContact NZ-OD1 3.44Å; H409-D437 PolarHBondContact CE1-O 3.13Å; H409-D437 VanDerWaalsContact CE1-O 3.31Å; H409-D437 VanDerWaalsContact NE2-C 3.31Å; H409-D437 PolarHBondContact NE2-O 2.79Å; D437-G439 PolarHBondContact O-N 2.68Å
438	F	96.7	Very high	88.9	Confident	7 Å²	7	40.2 Å²	40.2	3%	0.031	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-78.5	12.3	177	-54.8	-73.7	0	0	0	113.3	E334 V337 L338 L341 I347 L402 H409 L435 L440 A441	E334-F438 HydrophobicContact CB-CB 4.43Å; E334-F438 HydrophobicContact CG-CB 4.11Å; V337-F438 HydrophobicContact CB-CB 4.17Å; V337-F438 HydrophobicContact CB-CG 4.24Å; V337-F438 HydrophobicContact CG1-CB 4.05Å; V337-F438 HydrophobicContact CG1-CD1 3.61Å; V337-F438 HydrophobicContact CG1-CD2 4.21Å; V337-F438 HydrophobicContact CG1-CE1 4.12Å; V337-F438 HydrophobicContact CG1-CG 3.66Å; V337-F438 HydrophobicContact CG2-CB 4.46Å; L338-F438 HydrophobicContact CD1-CE2 3.97Å; L341-F438 HydrophobicContact CD1-CE1 4.31Å; L341-F438 HydrophobicContact CD1-CZ 4.27Å; I347-F438 HydrophobicContact CD1-CZ 4Å; L402-F438 HydrophobicContact CD1-CD1 4.08Å; L402-F438 HydrophobicContact CD1-CE1 3.96Å; L402-F438 HydrophobicContact CD2-CE1 4.39Å; H409-F438 AromaticContact CD2-CD1 3.83Å; H409-F438 AromaticContact CD2-CE1 3.94Å; H409-F438 AromaticContact NE2-CD1 3.81Å; H409-F438 AromaticContact NE2-CE1 3.91Å; L435-F438 HydrophobicContact CD2-CE1 3.96Å; L435-F438 HydrophobicContact CD2-CZ 4.37Å; L435-F438 HydrophobicContact CG-CE1 4.02Å; L435-F438 HydrophobicContact CG-CZ 4.13Å; F438-L440 PolarHBondContact O-N 2.64Å; F438-L440 VanDerWaalsContact O-N 3.13Å; F438-A441 HydrophobicContact CB-CB 4.07Å; F438-A441 WeakPolarHBondContact O-CB 3.13Å; F438-A441 PolarHBondContact O-N 3.02Å
439	G	93.8	Very high	91.1	Very high	8 Å²	8	38.7 Å²	38.7	8%	0.082	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-64.4	-17.2	-174.6	0	0	0	0	0	114.8	E334 D437	E334-G439 VanDerWaalsContact OE1-CA 3.25Å; E334-G439 WeakPolarHBondContact OE1-CA 3.48Å; D437-G439 PolarHBondContact O-N 2.68Å
440	L	95.8	Very high	92.8	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.052	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-106.8	3.6	171.7	-72.3	176.4	0	0	0	114.1	F95 H409 R410 D411 F438 R463	F95-L440 HydrophobicContact CE1-CD2 4.39Å; F95-L440 HydrophobicContact CE2-CD1 4.17Å; F95-L440 HydrophobicContact CE2-CD2 4.3Å; F95-L440 HydrophobicContact CE2-CG 3.99Å; F95-L440 HydrophobicContact CZ-CD1 4.33Å; F95-L440 HydrophobicContact CZ-CD2 3.73Å; F95-L440 HydrophobicContact CZ-CG 3.95Å; H409-L440 CarbonylContact O-C 3.29Å; R410-L440 PolarHBondContact NE-O 2.92Å; R410-L440 PolarHBondContact NH2-O 2.86Å; D411-L440 HydrophobicContact CB-CB 4.23Å; D411-L440 HydrophobicContact CB-CD1 3.76Å; F438-L440 PolarHBondContact O-N 2.64Å; F438-L440 VanDerWaalsContact O-N 3.13Å; L440-R463 WeakPolarHBondContact CD1-O 3.41Å; L440-R463 HydrophobicContact CD2-CB 3.81Å
441	A	97	Very high	94	Very high	9 Å²	9	33.7 Å²	33.7	7%	0.074	21%	0.21	C	C	.	.			trans	-62.5	158.5	179.9	0	0	0	0	0	112.9	V337 L408 F438	V337-A441 HydrophobicContact CG2-CB 4.12Å; L408-A441 WeakPolarHBondContact O-CA 3.38Å; L408-A441 VanDerWaalsContact O-CB 3.29Å; L408-A441 WeakPolarHBondContact O-CB 3.44Å; F438-A441 HydrophobicContact CB-CB 4.07Å; F438-A441 WeakPolarHBondContact O-CB 3.13Å; F438-A441 PolarHBondContact O-N 3.02Å
442	R	95.7	Very high	94.4	Very high	38 Å²	38	38.5 Å²	38.5	14%	0.143	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.1	176	171.6	171.6	179.4	-116.3	10.4	111.3	F407 L408 Y444 D478	F407-R442 CarbonylContact C-O 3.59Å; F407-R442 WeakPolarHBondContact CA-O 3.12Å; L408-R442 PolarHBondContact N-O 3.33Å; L408-R442 PolarHBondContact O-N 2.94Å; L408-R442 VanDerWaalsContact O-N 3.14Å; R442-Y444 PolarHBondContact O-N 2.99Å; R442-D478 IonicContact CZ-OD1 3.53Å; R442-D478 IonicContact CZ-OD2 3.9Å; R442-D478 VanDerWaalsContact CZ-OD2 3.24Å; R442-D478 IonicContact NH1-OD1 3.05Å; R442-D478 PolarHBondContact NH1-OD1 3.37Å; R442-D478 IonicContact NH1-OD2 2.67Å; R442-D478 PolarHBondContact NH1-OD2 2.99Å; R442-D478 IonicContact NH2-OD2 3.66Å; R442-D478 PolarHBondContact NH2-OD2 3.41Å
443	P	96.5	Very high	94.7	Very high	32 Å²	32	35.3 Å²	35.3	21%	0.208	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	121.3	165.1	-14.6	25.9	0	0	0	110.3	M333 G406 F407	M333-P443 HydrophobicContact CE-CG 4.5Å; G406-P443 CarbonylContact O-C 3.56Å; G406-P443 WeakPolarHBondContact O-CA 3.47Å; F407-P443 HydrophobicContact CD1-CB 4.34Å; F407-P443 HydrophobicContact CD1-CG 4.04Å; F407-P443 HydrophobicContact CE1-CB 4.31Å; F407-P443 HydrophobicContact CE1-CG 3.73Å
444	Y	96.9	Very high	94.8	Very high	14 Å²	14	39.9 Å²	39.9	6%	0.055	24%	0.235	C	C	.	.			trans	-96.3	-17.5	172.5	75.2	-89.6	0	0	0	112.3	H403 G406 L408 R442 V453 R454 R481	H403-Y444 WeakPolarHBondContact O-CE1 3.16Å; H403-Y444 PolarHBondContact O-OH 2.7Å; G406-Y444 VanDerWaalsContact C-CD1 3.41Å; G406-Y444 WeakPolarHBondContact O-CD1 3.19Å; G406-Y444 PolarHBondContact O-N 3.24Å; L408-Y444 HydrophobicContact CD2-CD1 3.82Å; L408-Y444 HydrophobicContact CD2-CE1 4.36Å; L408-Y444 HydrophobicContact CD2-CG 4.27Å; L408-Y444 HydrophobicContact CG-CD1 3.78Å; L408-Y444 HydrophobicContact CG-CG 4.11Å; R442-Y444 PolarHBondContact O-N 2.99Å; Y444-V453 HydrophobicContact CD2-CG1 4.13Å; Y444-V453 HydrophobicContact CD2-CG2 4.04Å; Y444-V453 HydrophobicContact CE2-CG2 4Å; Y444-V453 CarbonylContact O-C 3.58Å; Y444-R454 WeakPolarHBondContact O-CB 3.18Å; Y444-R454 WeakPolarHBondContact O-CG 3.41Å; Y444-R454 PolarHBondContact O-N 2.72Å; Y444-R481 HydrophobicContact CE1-CG 4.28Å; Y444-R481 HydrophobicContact CE2-CG 4.4Å; Y444-R481 PolarHBondContact OH-NH1 3.12Å
445	T	97	Very high	94.7	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-90.9	147	173.4	53.1	0	0	0	0	111.5	G406 G448 E452 R454	G406-T445 PolarHBondContact O-OG1 3.26Å; T445-G448 WeakPolarHBondContact CB-O 3.13Å; T445-G448 VanDerWaalsContact OG1-CA 3.24Å; T445-G448 WeakPolarHBondContact OG1-CA 3.29Å; T445-G448 PolarHBondContact OG1-N 2.63Å; T445-G448 PolarHBondContact OG1-O 3.24Å; T445-G448 VanDerWaalsContact OG1-O 3.06Å; T445-E452 CarbonylContact C-O 3.59Å; T445-E452 WeakPolarHBondContact CA-O 3.37Å; T445-R454 PolarHBondContact O-NE 3.46Å
446	V	94.1	Very high	94.6	Very high	57 Å²	57	48.2 Å²	48.2	35%	0.345	29%	0.287	S	S	.	.	S	Bend	trans	-61.5	-63.9	-179.2	-179.2	0	0	0	0	110.4	E452 R454	V446-E452 HydrophobicContact CG2-CB 4.39Å; V446-E452 PolarHBondContact N-O 2.77Å; V446-R454 HydrophobicContact CB-CG 4.41Å; V446-R454 HydrophobicContact CG2-CG 3.83Å; V446-R454 PolarHBondContact O-NH2 3Å
447	N	90.5	Very high	94.5	Very high	140 Å²	140	51.2 Å²	51.2	75%	0.749	30%	0.295	S	S	*	.	S	Bend	trans	-107.8	21.3	-172.1	-71	-30.8	0	0	0	113.2	T451	N447-T451 WeakPolarHBondContact CA-OG1 3.36Å; N447-T451 HydrophobicContact CB-CG2 3.89Å; N447-T451 PolarHBondContact N-OG1 3.13Å
448	G	89.2	Confident	94.4	Very high	19 Å²	19	58.5 Å²	58.5	20%	0.196	33%	0.328	C	S	.	.	S	Bend	trans	96.1	-163.8	177.9	0	0	0	0	0	114.9	T445 G450 T451	T445-G448 WeakPolarHBondContact CB-O 3.13Å; T445-G448 VanDerWaalsContact OG1-CA 3.24Å; T445-G448 WeakPolarHBondContact OG1-CA 3.29Å; T445-G448 PolarHBondContact OG1-N 2.63Å; T445-G448 PolarHBondContact OG1-O 3.24Å; T445-G448 VanDerWaalsContact OG1-O 3.06Å; G448-G450 PolarHBondContact O-N 3.14Å; G448-T451 PolarHBondContact N-OG1 3.35Å; G448-T451 VanDerWaalsContact N-OG1 3.16Å; G448-T451 WeakPolarHBondContact O-CB 3.44Å; G448-T451 WeakPolarHBondContact O-CG2 3.34Å; G448-T451 PolarHBondContact O-N 3.43Å; G448-T451 VanDerWaalsContact O-N 3.1Å; G448-T451 PolarHBondContact O-OG1 3.25Å
449	P	89.6	Confident	94.1	Very high	41 Å²	41	63.3 Å²	63.3	27%	0.266	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.5	132.5	-175.7	-31.6	34	0	0	0	114.7	D404 A405 T451	D404-P449 WeakPolarHBondContact O-CB 3.49Å; A405-P449 WeakPolarHBondContact O-CG 3.35Å; P449-T451 PolarHBondContact O-N 2.87Å; P449-T451 VanDerWaalsContact O-N 3.13Å
450	G	88.7	Confident	94.1	Very high	87 Å²	87	63.2 Å²	63.2	90%	0.897	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	-0.8	177.1	0	0	0	0	0	115.9	G448	G448-G450 PolarHBondContact O-N 3.14Å
451	T	92.6	Very high	93.8	Very high	53 Å²	53	65.1 Å²	65.1	33%	0.325	38%	0.379	S	S	.	.	S	Bend	trans	-90.9	171.6	175.4	73.6	0	0	0	0	111.6	N447 G448 P449	N447-T451 WeakPolarHBondContact CA-OG1 3.36Å; N447-T451 HydrophobicContact CB-CG2 3.89Å; N447-T451 PolarHBondContact N-OG1 3.13Å; G448-T451 PolarHBondContact N-OG1 3.35Å; G448-T451 VanDerWaalsContact N-OG1 3.16Å; G448-T451 WeakPolarHBondContact O-CB 3.44Å; G448-T451 WeakPolarHBondContact O-CG2 3.34Å; G448-T451 PolarHBondContact O-N 3.43Å; G448-T451 VanDerWaalsContact O-N 3.1Å; G448-T451 PolarHBondContact O-OG1 3.25Å; P449-T451 PolarHBondContact O-N 2.87Å; P449-T451 VanDerWaalsContact O-N 3.13Å
452	E	94.4	Very high	93.6	Very high	120 Å²	120	65.9 Å²	65.9	56%	0.561	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-55.9	146.3	-173.3	-151.9	-144.8	137.7	0	0	113.1	T445 V446 R454 K547	T445-E452 CarbonylContact C-O 3.59Å; T445-E452 WeakPolarHBondContact CA-O 3.37Å; V446-E452 HydrophobicContact CG2-CB 4.39Å; V446-E452 PolarHBondContact N-O 2.77Å; E452-R454 PolarHBondContact O-N 2.8Å; E452-K547 IonicContact OE1-NZ 2.67Å; E452-K547 PolarHBondContact OE1-NZ 2.94Å
453	V	96.9	Very high	93.3	Very high	18 Å²	18	71.3 Å²	71.3	11%	0.109	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-73.3	119.8	172.8	179.1	0	0	0	0	109.5	Y444 Y546 K547	Y444-V453 HydrophobicContact CD2-CG1 4.13Å; Y444-V453 HydrophobicContact CD2-CG2 4.04Å; Y444-V453 HydrophobicContact CE2-CG2 4Å; Y444-V453 CarbonylContact O-C 3.58Å; V453-Y546 HydrophobicContact CG1-CD1 4.43Å; V453-Y546 HydrophobicContact CG1-CE1 3.89Å; V453-K547 HydrophobicContact CB-CB 4.41Å; V453-K547 HydrophobicContact CB-CD 4.14Å; V453-K547 HydrophobicContact CB-CG 4Å; V453-K547 HydrophobicContact CG1-CB 4.43Å; V453-K547 HydrophobicContact CG1-CD 4.44Å; V453-K547 HydrophobicContact CG1-CG 3.87Å; V453-K547 WeakPolarHBondContact O-CE 3.3Å; V453-K547 PolarHBondContact O-NZ 2.88Å
454	R	96.7	Very high	93.1	Very high	98 Å²	98	70.6 Å²	70.6	37%	0.37	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-50.7	139.6	174.5	-66	175.7	-179.2	-124.2	-9.3	110.2	Y444 T445 V446 E452 Y546	Y444-R454 WeakPolarHBondContact O-CB 3.18Å; Y444-R454 WeakPolarHBondContact O-CG 3.41Å; Y444-R454 PolarHBondContact O-N 2.72Å; T445-R454 PolarHBondContact O-NE 3.46Å; V446-R454 HydrophobicContact CB-CG 4.41Å; V446-R454 HydrophobicContact CG2-CG 3.83Å; V446-R454 PolarHBondContact O-NH2 3Å; E452-R454 PolarHBondContact O-N 2.8Å; R454-Y546 VanDerWaalsContact O-CE1 3.27Å; R454-Y546 WeakPolarHBondContact O-CE1 3.29Å; R454-Y546 PolarHBondContact O-OH 2.79Å
455	N	96	Very high	93.1	Very high	119 Å²	119	71.1 Å²	71.1	64%	0.636	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-57.7	145.1	175.2	-66.9	-27.5	0	0	0	111.5	K547	N455-K547 WeakPolarHBondContact OD1-CE 3.21Å; N455-K547 PolarHBondContact OD1-NZ 3.31Å
456	A	95.9	Very high	93.1	Very high	56 Å²	56	72.7 Å²	72.7	46%	0.463	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.5	134.4	178.6	0	0	0	0	0	110	D478 Y546	A456-D478 HydrophobicContact CB-CB 4.16Å; A456-Y546 HydrophobicContact CB-CD1 3.95Å; A456-Y546 HydrophobicContact CB-CD2 4.04Å; A456-Y546 HydrophobicContact CB-CE1 3.79Å; A456-Y546 HydrophobicContact CB-CE2 3.89Å; A456-Y546 HydrophobicContact CB-CG 4.08Å
457	R	95.7	Very high	93.3	Very high	101 Å²	101	70.7 Å²	70.7	38%	0.381	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-71	140.8	171.7	-64.5	171.1	-65	140	6.8	109.6	V459 D478	R457-V459 PolarHBondContact O-N 2.81Å; R457-D478 HydrophobicContact CB-CB 4.38Å; R457-D478 WeakPolarHBondContact CG-OD2 3.23Å; R457-D478 IonicContact CZ-OD1 3.47Å; R457-D478 IonicContact CZ-OD2 2.96Å; R457-D478 PolarHBondContact N-OD2 3.17Å; R457-D478 IonicContact NE-OD1 3.6Å; R457-D478 IonicContact NE-OD2 3.09Å; R457-D478 PolarHBondContact NE-OD2 2.74Å; R457-D478 IonicContact NH2-OD1 2.7Å; R457-D478 PolarHBondContact NH2-OD1 3.21Å; R457-D478 IonicContact NH2-OD2 3.83Å
458	Q	92.3	Very high	93.6	Very high	199 Å²	199	64.7 Å²	64.7	93%	0.93	37%	0.366	S	S	*	.	S	Bend	trans	-54.9	-39.3	-179.8	-65.5	-178.7	-2.5	0	0	112.6
459	V	91.7	Very high	94	Very high	107 Å²	107	64.2 Å²	64.2	65%	0.648	36%	0.361	S	S	*	.			trans	-134.3	136.6	173.9	-177	0	0	0	0	109.4	R457 H476	R457-V459 PolarHBondContact O-N 2.81Å; V459-H476 HydrophobicContact CG1-CB 4.4Å
460	A	92.5	Very high	94.4	Very high	6 Å²	6	62.3 Å²	62.3	5%	0.05	35%	0.348	C	S	.	.			trans	-121.6	119.7	173.4	0	0	0	0	0	110.9	F462 H476 Q477 D478	A460-F462 PolarHBondContact O-N 3.47Å; A460-H476 PolarHBondContact N-O 3.43Å; A460-H476 PolarHBondContact O-ND1 3.18Å; A460-Q477 WeakPolarHBondContact CB-O 3.42Å; A460-D478 HydrophobicContact CB-CB 4.23Å
461	G	89.8	Confident	94.9	Very high	51 Å²	51	60.5 Å²	60.5	53%	0.526	32%	0.317	S	S	.	.			trans	-61.8	110	170.4	0	0	0	0	0	111.4	R463	G461-R463 WeakPolarHBondContact O-CG 3.37Å; G461-R463 PolarHBondContact O-N 2.89Å
462	F	92.7	Very high	95.1	Very high	25 Å²	25	59.2 Å²	59.2	11%	0.11	31%	0.309	C	S	.	.			trans	-73.8	114.2	179.9	167.3	-156.4	0	0	0	111.3	A460 G464 A469 A473 H474 K508	A460-F462 PolarHBondContact O-N 3.47Å; F462-G464 VanDerWaalsContact CE2-O 3.22Å; F462-G464 WeakPolarHBondContact CE2-O 3.17Å; F462-A469 HydrophobicContact CD2-CB 4.49Å; F462-A469 HydrophobicContact CE1-CB 4.09Å; F462-A469 HydrophobicContact CE2-CB 3.41Å; F462-A469 VanDerWaalsContact CE2-CB 3.41Å; F462-A469 HydrophobicContact CZ-CB 3.18Å; F462-A473 VanDerWaalsContact CB-O 3.24Å; F462-A473 WeakPolarHBondContact CB-O 3.49Å; F462-A473 HydrophobicContact CD1-CB 4.32Å; F462-A473 WeakPolarHBondContact CD1-O 3.43Å; F462-A473 HydrophobicContact CD2-CB 4.02Å; F462-A473 HydrophobicContact CE1-CB 4.49Å; F462-A473 HydrophobicContact CE2-CB 4.22Å; F462-A473 HydrophobicContact CG-CB 4.15Å; F462-A473 VanDerWaalsContact CG-O 3.28Å; F462-A473 WeakPolarHBondContact CG-O 3.4Å; F462-A473 HydrophobicContact CZ-CB 4.48Å; F462-H474 AromaticContact CE1-CE1 3.81Å; F462-H474 AromaticContact CE1-CG 3.97Å; F462-H474 AromaticContact CE1-ND1 3.74Å; F462-K508 HydrophobicContact CD1-CD 4.39Å; F462-K508 HydrophobicContact CE1-CD 4.35Å; F462-K508 HydrophobicContact CE1-CG 4.17Å; F462-K508 PolarHBondContact O-NZ 2.8Å; F462-K508 VanDerWaalsContact O-NZ 3.1Å
463	R	90.4	Very high	95.2	Very high	152 Å²	152	53.7 Å²	53.7	57%	0.574	28%	0.284	S	S	*	.			trans	-115.3	-8.3	-170.1	-70.4	171.4	177.2	175.7	-0.1	116.2	L440 G461	L440-R463 WeakPolarHBondContact CD1-O 3.41Å; L440-R463 HydrophobicContact CD2-CB 3.81Å; G461-R463 WeakPolarHBondContact O-CG 3.37Å; G461-R463 PolarHBondContact O-N 2.89Å
464	G	92.4	Very high	95.2	Very high	16 Å²	16	53.2 Å²	53.2	17%	0.165	28%	0.28	C	S	.	.	S	Bend	trans	-90	178.8	-176.8	0	0	0	0	0	114.5	D411 F462 V466	D411-G464 WeakPolarHBondContact OD1-CA 3.41Å; F462-G464 VanDerWaalsContact CE2-O 3.22Å; F462-G464 WeakPolarHBondContact CE2-O 3.17Å; G464-V466 PolarHBondContact O-N 3.3Å
465	T	95.5	Very high	95.2	Very high	26 Å²	26	50.6 Å²	50.6	16%	0.16	28%	0.279	C	S	.	.			trans	-67.5	120.7	-177.6	-72.4	0	0	0	0	113.1	D411 K413 R467 Y468 A469	D411-T465 PolarHBondContact OD1-N 2.7Å; D411-T465 PolarHBondContact OD1-OG1 3.29Å; K413-T465 HydrophobicContact CD-CG2 4.29Å; K413-T465 WeakPolarHBondContact CD-OG1 3.45Å; K413-T465 PolarHBondContact NZ-OG1 3.49Å; T465-R467 VanDerWaalsContact C-N 3.29Å; T465-R467 HydrophobicContact CG2-CB 4.21Å; T465-R467 PolarHBondContact O-N 2.72Å; T465-R467 VanDerWaalsContact O-N 3.16Å; T465-Y468 HydrophobicContact CG2-CD2 3.68Å; T465-Y468 HydrophobicContact CG2-CE2 3.89Å; T465-Y468 PolarHBondContact O-N 2.86Å; T465-A469 PolarHBondContact O-N 3.42Å; T465-A469 VanDerWaalsContact O-N 3.13Å
466	V	97.1	Very high	95.2	Very high	35 Å²	35	48.6 Å²	48.6	21%	0.212	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-41.9	-176.5	177.8	0	0	0	0	113.9	G464 Y468 H474 K508 V511	G464-V466 PolarHBondContact O-N 3.3Å; V466-Y468 PolarHBondContact O-N 2.78Å; V466-H474 PolarHBondContact O-NE2 3.18Å; V466-K508 HydrophobicContact CG2-CB 4.39Å; V466-K508 HydrophobicContact CG2-CG 4.24Å; V466-V511 HydrophobicContact CG1-CB 3.89Å; V466-V511 HydrophobicContact CG1-CG1 4.02Å; V466-V511 HydrophobicContact CG1-CG2 3.91Å
467	R	97.6	Very high	95.2	Very high	16 Å²	16	50.1 Å²	50.1	6%	0.06	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-42.6	-176.7	-174.2	174.7	-67.6	168	3	112.9	T465 E494 L500 W502 R503 K515 D738	T465-R467 VanDerWaalsContact C-N 3.29Å; T465-R467 HydrophobicContact CG2-CB 4.21Å; T465-R467 PolarHBondContact O-N 2.72Å; T465-R467 VanDerWaalsContact O-N 3.16Å; R467-E494 WeakPolarHBondContact CD-OE1 3.48Å; R467-E494 IonicContact NH1-OE1 3.88Å; R467-L500 HydrophobicContact CG-CD1 3.86Å; R467-W502 PolarHBondContact O-NE1 2.9Å; R467-R503 PolarHBondContact NH2-O 3.36Å; R467-K515 PolarHBondContact O-NZ 3.09Å; R467-D738 IonicContact CZ-OD1 3.53Å; R467-D738 IonicContact CZ-OD2 2.71Å; R467-D738 IonicContact NH1-OD1 3.74Å; R467-D738 IonicContact NH1-OD2 2.72Å; R467-D738 PolarHBondContact NH1-OD2 3.4Å; R467-D738 VanDerWaalsContact NH2-CG 3.27Å; R467-D738 IonicContact NH2-OD1 2.92Å; R467-D738 PolarHBondContact NH2-OD1 3.14Å; R467-D738 IonicContact NH2-OD2 3.7Å; R467-D738 PolarHBondContact NH2-OD2 2.92Å
468	Y	98.3	Very high	95.3	Very high	13 Å²	13	45.6 Å²	45.6	5%	0.051	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-20.2	-172.7	-47	-80.4	0	0	0	113.5	V412 K413 P414 T465 V466 S487 Y490 M491 E494 L500	V412-Y468 WeakPolarHBondContact O-CB 3.46Å; K413-Y468 HydrophobicContact CB-CD2 3.36Å; K413-Y468 HydrophobicContact CB-CE2 3.6Å; K413-Y468 HydrophobicContact CB-CG 3.99Å; P414-Y468 HydrophobicContact CG-CE1 4.07Å; T465-Y468 HydrophobicContact CG2-CD2 3.68Å; T465-Y468 HydrophobicContact CG2-CE2 3.89Å; T465-Y468 PolarHBondContact O-N 2.86Å; V466-Y468 PolarHBondContact O-N 2.78Å; Y468-S487 WeakPolarHBondContact O-CA 3.46Å; Y468-S487 PolarHBondContact O-OG 3.25Å; Y468-Y490 WeakPolarHBondContact O-CD2 3.27Å; Y468-M491 HydrophobicContact CD1-CG 4.06Å; Y468-M491 HydrophobicContact CE1-CG 4.39Å; Y468-E494 PolarHBondContact OH-OE2 3.41Å; Y468-L500 HydrophobicContact CD1-CD1 4.38Å; Y468-L500 HydrophobicContact CE1-CD1 4.32Å
469	A	98	Very high	95.5	Very high	10 Å²	10	37.1 Å²	37.1	8%	0.083	21%	0.208	C	C	.	.			trans	-54.3	143.3	-177.7	0	0	0	0	0	114.6	F462 T465 A473 K515	F462-A469 HydrophobicContact CD2-CB 4.49Å; F462-A469 HydrophobicContact CE1-CB 4.09Å; F462-A469 HydrophobicContact CE2-CB 3.41Å; F462-A469 VanDerWaalsContact CE2-CB 3.41Å; F462-A469 HydrophobicContact CZ-CB 3.18Å; T465-A469 PolarHBondContact O-N 3.42Å; T465-A469 VanDerWaalsContact O-N 3.13Å; A469-A473 HydrophobicContact CB-CB 3.96Å; A469-K515 PolarHBondContact O-NZ 3.34Å
470	S	98	Very high	95.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	18%	0.178	C	C	.	.			trans	-67.4	166.6	-179.9	74.4	0	0	0	0	113.2	N472 A473 H474 D483	S470-N472 PolarHBondContact O-N 2.89Å; S470-N472 PolarHBondContact OG-N 2.86Å; S470-A473 WeakPolarHBondContact O-CB 3.48Å; S470-A473 PolarHBondContact O-N 2.9Å; S470-A473 PolarHBondContact OG-N 3.13Å; S470-H474 PolarHBondContact O-CD2 3.28Å; S470-H474 PolarHBondContact O-N 2.83Å; S470-D483 VanDerWaalsContact CB-OD1 3.24Å; S470-D483 WeakPolarHBondContact CB-OD1 3.34Å; S470-D483 PolarHBondContact OG-OD1 3.48Å
471	I	97.6	Very high	96.1	Very high	48 Å²	48	32.9 Å²	32.9	25%	0.246	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-39.3	173.6	-66.9	173.5	0	0	0	110.7	A473 H474 A475 K515 M516 H520	I471-A473 VanDerWaalsContact C-N 3.29Å; I471-A473 PolarHBondContact O-N 3.34Å; I471-H474 PolarHBondContact O-N 3.29Å; I471-A475 WeakPolarHBondContact O-CB 3.37Å; I471-A475 PolarHBondContact O-N 2.86Å; I471-K515 HydrophobicContact CD1-CB 4.49Å; I471-K515 HydrophobicContact CG1-CB 3.94Å; I471-M516 HydrophobicContact CG2-CE 3.68Å; I471-M516 HydrophobicContact CG2-CG 3.71Å; I471-H520 WeakPolarHBondContact CD1-CE1 3.47Å
472	N	97.6	Very high	96.5	Very high	27 Å²	27	32.2 Å²	32.2	14%	0.144	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-36	179.2	-51.7	-40.5	0	0	0	111.9	S470 A475 H476 Q477 L479 R482 D483	S470-N472 PolarHBondContact O-N 2.89Å; S470-N472 PolarHBondContact OG-N 2.86Å; N472-A475 CarbonylContact O-C 3.49Å; N472-A475 PolarHBondContact O-N 3.32Å; N472-H476 PolarHBondContact O-N 3.48Å; N472-Q477 HydrophobicContact CB-CB 4.19Å; N472-Q477 WeakPolarHBondContact O-CB 3.48Å; N472-Q477 PolarHBondContact O-N 3.17Å; N472-Q477 PolarHBondContact OD1-OE1 3.03Å; N472-L479 HydrophobicContact CB-CD2 4.43Å; N472-R482 PolarHBondContact ND2-NE 3.31Å; N472-R482 PolarHBondContact ND2-NH2 2.93Å; N472-D483 WeakPolarHBondContact CB-OD1 3.37Å; N472-D483 PolarHBondContact ND2-OD1 3.37Å
473	A	97.3	Very high	96.8	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.033	16%	0.157	C	C	.	.	H	α-helix	trans	-65.4	-44.1	173.9	0	0	0	0	0	112.2	F462 A469 S470 I471 A475 H476 L479	F462-A473 VanDerWaalsContact CB-O 3.24Å; F462-A473 WeakPolarHBondContact CB-O 3.49Å; F462-A473 HydrophobicContact CD1-CB 4.32Å; F462-A473 WeakPolarHBondContact CD1-O 3.43Å; F462-A473 HydrophobicContact CD2-CB 4.02Å; F462-A473 HydrophobicContact CE1-CB 4.49Å; F462-A473 HydrophobicContact CE2-CB 4.22Å; F462-A473 HydrophobicContact CG-CB 4.15Å; F462-A473 VanDerWaalsContact CG-O 3.28Å; F462-A473 WeakPolarHBondContact CG-O 3.4Å; F462-A473 HydrophobicContact CZ-CB 4.48Å; A469-A473 HydrophobicContact CB-CB 3.96Å; S470-A473 WeakPolarHBondContact O-CB 3.48Å; S470-A473 PolarHBondContact O-N 2.9Å; S470-A473 PolarHBondContact OG-N 3.13Å; I471-A473 VanDerWaalsContact C-N 3.29Å; I471-A473 PolarHBondContact O-N 3.34Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A473-H476 PolarHBondContact O-N 3.29Å; A473-L479 HydrophobicContact CB-CD1 4.21Å; A473-L479 HydrophobicContact CB-CD2 3.75Å
474	H	97.1	Very high	97.2	Very high	8 Å²	8	24 Å²	24	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-39.6	172.5	-78.4	-81.1	0	0	0	111.8	F462 V466 S470 I471 H476 K508 G512	F462-H474 AromaticContact CE1-CE1 3.81Å; F462-H474 AromaticContact CE1-CG 3.97Å; F462-H474 AromaticContact CE1-ND1 3.74Å; V466-H474 PolarHBondContact O-NE2 3.18Å; S470-H474 PolarHBondContact O-CD2 3.28Å; S470-H474 PolarHBondContact O-N 2.83Å; I471-H474 PolarHBondContact O-N 3.29Å; H474-H476 PolarHBondContact O-CD2 3.27Å; H474-H476 VanDerWaalsContact O-CD2 3.32Å; H474-H476 PolarHBondContact O-N 3.46Å; H474-H476 VanDerWaalsContact O-N 3.13Å; H474-K508 PolarHBondContact CE1-O 3.4Å; H474-K508 VanDerWaalsContact CE1-O 3.23Å; H474-K508 PolarHBondContact ND1-O 3.04Å; H474-K508 VanDerWaalsContact ND1-O 3.14Å; H474-G512 VanDerWaalsContact CG-CA 3.46Å; H474-G512 WeakPolarHBondContact ND1-CA 3.43Å; H474-G512 PolarHBondContact ND1-N 3.13Å
475	A	96	Very high	97.5	Very high	42 Å²	42	23.3 Å²	23.3	35%	0.347	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	12.7	175	0	0	0	0	0	114.6	I471 N472 A473 Q477 M516	I471-A475 WeakPolarHBondContact O-CB 3.37Å; I471-A475 PolarHBondContact O-N 2.86Å; N472-A475 CarbonylContact O-C 3.49Å; N472-A475 PolarHBondContact O-N 3.32Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A475-Q477 HydrophobicContact CB-CG 4.3Å; A475-Q477 PolarHBondContact O-N 2.76Å; A475-M516 HydrophobicContact CB-CE 4.01Å
476	H	95.9	Very high	97.6	Very high	77 Å²	77	23.2 Å²	23.2	36%	0.356	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	19.6	178.2	-74.8	-93.6	0	0	0	115.8	V459 A460 N472 A473 H474	V459-H476 HydrophobicContact CG1-CB 4.4Å; A460-H476 PolarHBondContact N-O 3.43Å; A460-H476 PolarHBondContact O-ND1 3.18Å; N472-H476 PolarHBondContact O-N 3.48Å; A473-H476 PolarHBondContact O-N 3.29Å; H474-H476 PolarHBondContact O-CD2 3.27Å; H474-H476 VanDerWaalsContact O-CD2 3.32Å; H474-H476 PolarHBondContact O-N 3.46Å; H474-H476 VanDerWaalsContact O-N 3.13Å
477	Q	96.5	Very high	97.7	Very high	89 Å²	89	21.9 Å²	21.9	42%	0.416	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-76.4	154.6	175.1	-61.3	-176.8	-1.3	0	0	111	A460 N472 A475	A460-Q477 WeakPolarHBondContact CB-O 3.42Å; N472-Q477 HydrophobicContact CB-CB 4.19Å; N472-Q477 WeakPolarHBondContact O-CB 3.48Å; N472-Q477 PolarHBondContact O-N 3.17Å; N472-Q477 PolarHBondContact OD1-OE1 3.03Å; A475-Q477 HydrophobicContact CB-CG 4.3Å; A475-Q477 PolarHBondContact O-N 2.76Å
478	D	96.7	Very high	97.7	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.027	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-67.8	139.1	171.8	-150.4	0.3	0	0	0	111	R442 A456 R457 A460 Y546	R442-D478 IonicContact CZ-OD1 3.53Å; R442-D478 IonicContact CZ-OD2 3.9Å; R442-D478 VanDerWaalsContact CZ-OD2 3.24Å; R442-D478 IonicContact NH1-OD1 3.05Å; R442-D478 PolarHBondContact NH1-OD1 3.37Å; R442-D478 IonicContact NH1-OD2 2.67Å; R442-D478 PolarHBondContact NH1-OD2 2.99Å; R442-D478 IonicContact NH2-OD2 3.66Å; R442-D478 PolarHBondContact NH2-OD2 3.41Å; A456-D478 HydrophobicContact CB-CB 4.16Å; R457-D478 HydrophobicContact CB-CB 4.38Å; R457-D478 WeakPolarHBondContact CG-OD2 3.23Å; R457-D478 IonicContact CZ-OD1 3.47Å; R457-D478 IonicContact CZ-OD2 2.96Å; R457-D478 PolarHBondContact N-OD2 3.17Å; R457-D478 IonicContact NE-OD1 3.6Å; R457-D478 IonicContact NE-OD2 3.09Å; R457-D478 PolarHBondContact NE-OD2 2.74Å; R457-D478 IonicContact NH2-OD1 2.7Å; R457-D478 PolarHBondContact NH2-OD1 3.21Å; R457-D478 IonicContact NH2-OD2 3.83Å; A460-D478 HydrophobicContact CB-CB 4.23Å; D478-Y546 HydrophobicContact CB-CE2 3.89Å; D478-Y546 VanDerWaalsContact O-CD2 3.32Å; D478-Y546 WeakPolarHBondContact O-CD2 3.4Å; D478-Y546 WeakPolarHBondContact O-CE2 3.12Å
479	L	97.6	Very high	97.7	Very high	21 Å²	21	20.8 Å²	20.8	11%	0.11	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-88.7	146.7	-169.4	-57.7	-173.8	0	0	0	112	L408 R410 N472 A473 D483 Y546	L408-L479 WeakPolarHBondContact CD1-O 3.43Å; R410-L479 HydrophobicContact CB-CD1 4.03Å; R410-L479 HydrophobicContact CG-CB 4.37Å; R410-L479 HydrophobicContact CG-CD1 4.06Å; N472-L479 HydrophobicContact CB-CD2 4.43Å; A473-L479 HydrophobicContact CB-CD1 4.21Å; A473-L479 HydrophobicContact CB-CD2 3.75Å; L479-D483 HydrophobicContact CB-CB 4.24Å; L479-D483 HydrophobicContact CD2-CB 4.14Å; L479-Y546 WeakPolarHBondContact O-CE2 3.31Å
480	A	97.7	Very high	97.8	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.033	10%	0.104	C	C	.	.			trans	-125.5	178.2	178.9	0	0	0	0	0	111.8	R482 D483 Y546	A480-R482 HydrophobicContact CB-CG 4.2Å; A480-R482 PolarHBondContact O-N 3.47Å; A480-R482 VanDerWaalsContact O-N 3.1Å; A480-D483 PolarHBondContact N-OD2 2.99Å; A480-D483 WeakPolarHBondContact O-CB 3.3Å; A480-D483 PolarHBondContact O-N 3.47Å; A480-Y546 HydrophobicContact CB-CD2 3.72Å; A480-Y546 HydrophobicContact CB-CE2 4.22Å; A480-Y546 HydrophobicContact CB-CG 4.15Å; A480-Y546 WeakPolarHBondContact CB-O 3.2Å
481	R	98.4	Very high	97.8	Very high	21 Å²	21	20.3 Å²	20.3	8%	0.079	10%	0.104	C	C	.	.	H	α-helix	trans	-55.7	-29.4	-180	-64.9	175.4	-77.1	-141.1	-2.6	113.5	H403 L408 Y444 D483 K547 S548 P550	H403-R481 HydrophobicContact CB-CG 4.23Å; H403-R481 PolarHBondContact CE1-O 3.2Å; L408-R481 HydrophobicContact CD2-CB 4.23Å; L408-R481 HydrophobicContact CD2-CG 3.65Å; Y444-R481 HydrophobicContact CE1-CG 4.28Å; Y444-R481 HydrophobicContact CE2-CG 4.4Å; Y444-R481 PolarHBondContact OH-NH1 3.12Å; R481-D483 VanDerWaalsContact C-N 3.3Å; R481-D483 PolarHBondContact O-N 2.95Å; R481-K547 PolarHBondContact NH2-O 2.95Å; R481-S548 PolarHBondContact NE-O 3.17Å; R481-S548 VanDerWaalsContact NE-O 3.11Å; R481-S548 VanDerWaalsContact NH2-C 3.27Å; R481-S548 PolarHBondContact NH2-O 3.04Å; R481-P550 HydrophobicContact CB-CG 3.69Å
482	R	98.2	Very high	97.8	Very high	37 Å²	37	18.3 Å²	18.3	14%	0.14	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-30.1	174.7	70.7	-170.1	179.5	168.8	2.9	113.2	N472 A480 L485 W486 L544	N472-R482 PolarHBondContact ND2-NE 3.31Å; N472-R482 PolarHBondContact ND2-NH2 2.93Å; A480-R482 HydrophobicContact CB-CG 4.2Å; A480-R482 PolarHBondContact O-N 3.47Å; A480-R482 VanDerWaalsContact O-N 3.1Å; R482-L485 PolarHBondContact O-N 3Å; R482-W486 VanDerWaalsContact O-CD1 3.25Å; R482-W486 PolarHBondContact O-N 3.5Å; R482-L544 HydrophobicContact CB-CB 3.89Å; R482-L544 HydrophobicContact CB-CD1 3.9Å; R482-L544 WeakPolarHBondContact CD-O 3.38Å; R482-L544 PolarHBondContact NH1-O 3.15Å
483	D	98.6	Very high	97.9	Very high	2 Å²	2	17 Å²	17	1%	0.011	9%	0.086	C	C	.	.	H	α-helix	trans	-79.1	-34.2	-171.3	-64.3	-72.8	0	0	0	112.4	S470 N472 L479 A480 R481 L485 W486 S487	S470-D483 VanDerWaalsContact CB-OD1 3.24Å; S470-D483 WeakPolarHBondContact CB-OD1 3.34Å; S470-D483 PolarHBondContact OG-OD1 3.48Å; N472-D483 WeakPolarHBondContact CB-OD1 3.37Å; N472-D483 PolarHBondContact ND2-OD1 3.37Å; L479-D483 HydrophobicContact CB-CB 4.24Å; L479-D483 HydrophobicContact CD2-CB 4.14Å; A480-D483 PolarHBondContact N-OD2 2.99Å; A480-D483 WeakPolarHBondContact O-CB 3.3Å; A480-D483 PolarHBondContact O-N 3.47Å; R481-D483 VanDerWaalsContact C-N 3.3Å; R481-D483 PolarHBondContact O-N 2.95Å; D483-L485 VanDerWaalsContact C-N 3.3Å; D483-W486 PolarHBondContact O-N 2.92Å; D483-S487 WeakPolarHBondContact O-CB 3.21Å; D483-S487 PolarHBondContact O-N 3.48Å; D483-S487 PolarHBondContact O-OG 3.22Å
484	D	98.7	Very high	97.9	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.011	9%	0.085	C	C	.	.	H	α-helix	trans	-67.4	-31.4	169.1	-74.3	-28.2	0	0	0	111.4	H403 H409 R410 V412 S487 L488	H403-D484 IonicContact NE2-OD2 3.75Å; H403-D484 PolarHBondContact NE2-OD2 3.5Å; H409-D484 PolarHBondContact N-OD2 3.23Å; R410-D484 VanDerWaalsContact CA-OD1 3.24Å; R410-D484 WeakPolarHBondContact CA-OD1 3.31Å; R410-D484 PolarHBondContact N-OD1 2.9Å; R410-D484 PolarHBondContact N-OD2 3.48Å; V412-D484 HydrophobicContact CG2-CB 3.75Å; V412-D484 WeakPolarHBondContact CG2-OD1 3.15Å; D484-S487 WeakPolarHBondContact O-CB 3.42Å; D484-L488 PolarHBondContact O-N 2.88Å; D484-L488 VanDerWaalsContact O-N 3.16Å
485	L	98.7	Very high	98	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-78.1	-36.7	173.5	-64.9	175.3	0	0	0	113.3	L399 R482 D483 S487 L488 V489 L541 P550 Y552 L555	L399-L485 HydrophobicContact CD1-CD2 4.33Å; R482-L485 PolarHBondContact O-N 3Å; D483-L485 VanDerWaalsContact C-N 3.3Å; L485-S487 PolarHBondContact O-N 2.79Å; L485-L488 HydrophobicContact CD2-CD2 4.43Å; L485-L488 CarbonylContact O-C 3.56Å; L485-L488 WeakPolarHBondContact O-CA 3.45Å; L485-L488 WeakPolarHBondContact O-CB 3.26Å; L485-L488 PolarHBondContact O-N 3.45Å; L485-L488 VanDerWaalsContact O-N 3.09Å; L485-V489 PolarHBondContact O-N 3.48Å; L485-L541 HydrophobicContact CB-CD1 4.17Å; L485-L541 HydrophobicContact CB-CD2 3.71Å; L485-L541 HydrophobicContact CD1-CD2 3.94Å; L485-P550 HydrophobicContact CD1-CB 3.42Å; L485-P550 VanDerWaalsContact CD1-CB 3.42Å; L485-P550 HydrophobicContact CD1-CG 3.62Å; L485-Y552 HydrophobicContact CD1-CD1 4.43Å; L485-Y552 HydrophobicContact CD1-CE1 4.08Å; L485-Y552 HydrophobicContact CD2-CE1 4.48Å; L485-L555 HydrophobicContact CD1-CD1 4.01Å
486	W	98.5	Very high	98.1	Very high	23 Å²	23	15.2 Å²	15.2	9%	0.087	7%	0.071	C	C	.	.	H	α-helix	trans	-58.8	-39.5	168.8	-90.1	112.2	0	0	0	111.6	R482 D483 L488 V489 Y490 H520 I538 L541 E542	R482-W486 VanDerWaalsContact O-CD1 3.25Å; R482-W486 PolarHBondContact O-N 3.5Å; D483-W486 PolarHBondContact O-N 2.92Å; W486-L488 VanDerWaalsContact C-N 3.31Å; W486-L488 PolarHBondContact O-N 3.07Å; W486-V489 PolarHBondContact O-N 2.92Å; W486-Y490 WeakPolarHBondContact O-CD2 3.45Å; W486-Y490 WeakPolarHBondContact O-CE2 3.36Å; W486-Y490 PolarHBondContact O-N 3.04Å; W486-H520 HydrophobicContact CH2-CB 4.27Å; W486-H520 HydrophobicContact CZ3-CB 4.04Å; W486-H520 AromaticContact CZ3-CD2 3.51Å; W486-H520 AromaticContact CZ3-CG 3.83Å; W486-I538 HydrophobicContact CH2-CG2 4.1Å; W486-L541 HydrophobicContact CD2-CB 4.42Å; W486-L541 HydrophobicContact CD2-CD1 4.33Å; W486-L541 HydrophobicContact CG-CD1 4.46Å; W486-L541 HydrophobicContact CZ2-CB 4Å; W486-L541 PolarHBondContact NE1-O 3.12Å; W486-E542 HydrophobicContact CH2-CG 4.23Å; W486-E542 HydrophobicContact CZ2-CG 3.91Å
487	S	98.7	Very high	98.1	Very high	8 Å²	8	12.6 Å²	12.6	6%	0.056	6%	0.062	C	C	.	.	H	α-helix	trans	-61.3	-40.4	173.4	-55.4	0	0	0	0	111.7	Y468 D483 D484 L485 Y490 M491	Y468-S487 WeakPolarHBondContact O-CA 3.46Å; Y468-S487 PolarHBondContact O-OG 3.25Å; D483-S487 WeakPolarHBondContact O-CB 3.21Å; D483-S487 PolarHBondContact O-N 3.48Å; D483-S487 PolarHBondContact O-OG 3.22Å; D484-S487 WeakPolarHBondContact O-CB 3.42Å; L485-S487 PolarHBondContact O-N 2.79Å; S487-Y490 PolarHBondContact O-N 3.46Å; S487-M491 WeakPolarHBondContact O-CG 3.33Å; S487-M491 PolarHBondContact O-N 3.16Å; S487-M491 VanDerWaalsContact O-N 3.08Å
488	L	98.4	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.2	-34.9	174.1	-170.2	63.7	0	0	0	113.4	I392 C395 I396 L399 D484 L485 W486 M491 F492	I392-L488 HydrophobicContact CD1-CD1 3.55Å; I392-L488 HydrophobicContact CD1-CG 4.08Å; I392-L488 HydrophobicContact CG2-CD2 4.22Å; I392-L488 HydrophobicContact CG2-CG 4.33Å; C395-L488 HydrophobicContact CB-CD1 3.54Å; C395-L488 HydrophobicContact CB-CD2 4.17Å; I396-L488 HydrophobicContact CG1-CD2 3.73Å; L399-L488 HydrophobicContact CD1-CB 4.48Å; L399-L488 HydrophobicContact CD1-CD2 4.24Å; D484-L488 PolarHBondContact O-N 2.88Å; D484-L488 VanDerWaalsContact O-N 3.16Å; L485-L488 HydrophobicContact CD2-CD2 4.43Å; L485-L488 CarbonylContact O-C 3.56Å; L485-L488 WeakPolarHBondContact O-CA 3.45Å; L485-L488 WeakPolarHBondContact O-CB 3.26Å; L485-L488 PolarHBondContact O-N 3.45Å; L485-L488 VanDerWaalsContact O-N 3.09Å; W486-L488 VanDerWaalsContact C-N 3.31Å; W486-L488 PolarHBondContact O-N 3.07Å; L488-M491 HydrophobicContact CD1-CB 4.45Å; L488-M491 HydrophobicContact CD1-CE 3.99Å; L488-M491 HydrophobicContact CD1-SD 4.12Å; L488-M491 WeakPolarHBondContact O-CB 3.46Å; L488-M491 PolarHBondContact O-N 2.67Å; L488-F492 PolarHBondContact O-N 2.84Å
489	V	98.4	Very high	98.1	Very high	6 Å²	6	11.2 Å²	11.2	4%	0.036	6%	0.058	C	C	.	.	H	α-helix	trans	-60.8	-45.3	172.1	169.8	0	0	0	0	111	L485 W486 M491 F492 I493 W537 L541	L485-V489 PolarHBondContact O-N 3.48Å; W486-V489 PolarHBondContact O-N 2.92Å; V489-M491 VanDerWaalsContact C-N 3.29Å; V489-M491 PolarHBondContact O-N 3.04Å; V489-F492 PolarHBondContact O-N 3.05Å; V489-I493 HydrophobicContact CG1-CD1 3.92Å; V489-I493 VanDerWaalsContact O-CG1 3.31Å; V489-I493 WeakPolarHBondContact O-CG1 3.34Å; V489-I493 PolarHBondContact O-N 2.84Å; V489-W537 HydrophobicContact CG2-CE3 3.97Å; V489-W537 HydrophobicContact CG2-CZ3 4.38Å; V489-L541 HydrophobicContact CG2-CD1 3.6Å
490	Y	98.6	Very high	98.1	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	5%	0.053	C	C	.	.	H	α-helix	trans	-65.5	-32	175.9	-57.8	-61	0	0	0	112.6	Y468 W486 S487 E494 L500 W502 K515 H520	Y468-Y490 WeakPolarHBondContact O-CD2 3.27Å; W486-Y490 WeakPolarHBondContact O-CD2 3.45Å; W486-Y490 WeakPolarHBondContact O-CE2 3.36Å; W486-Y490 PolarHBondContact O-N 3.04Å; S487-Y490 PolarHBondContact O-N 3.46Å; Y490-E494 WeakPolarHBondContact O-CB 3.4Å; Y490-E494 PolarHBondContact O-N 3.24Å; Y490-L500 HydrophobicContact CD1-CD2 4.41Å; Y490-W502 AromaticContact CD1-CH2 3.62Å; Y490-W502 HydrophobicContact CD1-CH2 3.62Å; Y490-W502 AromaticContact CD1-CZ2 3.42Å; Y490-W502 HydrophobicContact CD1-CZ2 3.42Å; Y490-W502 VanDerWaalsContact CD1-CZ2 3.42Å; Y490-W502 AromaticContact CE1-CH2 3.48Å; Y490-W502 HydrophobicContact CE1-CH2 3.48Å; Y490-W502 VanDerWaalsContact CE1-CH2 3.48Å; Y490-W502 AromaticContact CE1-CZ2 3.62Å; Y490-W502 HydrophobicContact CE1-CZ2 3.62Å; Y490-W502 HydrophobicContact CG-CZ2 4.13Å; Y490-K515 HydrophobicContact CE1-CD 4.48Å; Y490-K515 HydrophobicContact CE2-CD 4.37Å; Y490-K515 VanDerWaalsContact CE2-NZ 3.33Å; Y490-H520 AromaticContact CE1-CD2 3.59Å; Y490-H520 AromaticContact CE1-NE2 3.18Å; Y490-H520 WeakPolarHBondContact CE1-NE2 3.32Å; Y490-H520 AromaticContact CZ-CD2 3.89Å; Y490-H520 AromaticContact CZ-NE2 2.98Å; Y490-H520 PolarHBondContact OH-CD2 2.75Å; Y490-H520 PolarHBondContact OH-NE2 2.94Å
491	M	98.5	Very high	98	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.5	-46.6	170	-68.6	178.5	41.4	0	0	111.8	I392 V412 K413 P414 F417 Y468 S487 L488 V489 I493 E494 F495	I392-M491 HydrophobicContact CD1-CB 4.49Å; V412-M491 HydrophobicContact CG1-SD 3.84Å; K413-M491 VanDerWaalsContact CA-SD 3.59Å; P414-M491 HydrophobicContact CB-CE 4.43Å; P414-M491 HydrophobicContact CG-CB 4.44Å; P414-M491 HydrophobicContact CG-CE 4.12Å; P414-M491 HydrophobicContact CG-CG 3.83Å; P414-M491 HydrophobicContact CG-SD 4.27Å; F417-M491 HydrophobicContact CD2-CE 3.68Å; F417-M491 HydrophobicContact CD2-SD 4.26Å; F417-M491 HydrophobicContact CE2-CE 3.72Å; F417-M491 HydrophobicContact CE2-SD 3.89Å; Y468-M491 HydrophobicContact CD1-CG 4.06Å; Y468-M491 HydrophobicContact CE1-CG 4.39Å; S487-M491 WeakPolarHBondContact O-CG 3.33Å; S487-M491 PolarHBondContact O-N 3.16Å; S487-M491 VanDerWaalsContact O-N 3.08Å; L488-M491 HydrophobicContact CD1-CB 4.45Å; L488-M491 HydrophobicContact CD1-CE 3.99Å; L488-M491 HydrophobicContact CD1-SD 4.12Å; L488-M491 WeakPolarHBondContact O-CB 3.46Å; L488-M491 PolarHBondContact O-N 2.67Å; V489-M491 VanDerWaalsContact C-N 3.29Å; V489-M491 PolarHBondContact O-N 3.04Å; M491-I493 VanDerWaalsContact C-N 3.32Å; M491-I493 PolarHBondContact O-N 3.41Å; M491-E494 CarbonylContact O-C 3.48Å; M491-E494 PolarHBondContact O-N 3.19Å; M491-E494 VanDerWaalsContact O-N 3.16Å; M491-F495 HydrophobicContact CB-CE1 4.42Å; M491-F495 HydrophobicContact CB-CZ 4.44Å; M491-F495 HydrophobicContact CE-CE1 4.38Å; M491-F495 HydrophobicContact CE-CE2 4.34Å; M491-F495 HydrophobicContact CE-CZ 3.71Å; M491-F495 WeakPolarHBondContact O-CB 3.25Å; M491-F495 WeakPolarHBondContact O-CD1 3.44Å; M491-F495 WeakPolarHBondContact O-CG 3.45Å; M491-F495 PolarHBondContact O-N 3.04Å
492	F	98.4	Very high	98	Very high	5 Å²	5	10.3 Å²	10.3	2%	0.022	6%	0.055	C	C	.	.	H	α-helix	trans	-61.6	-41.1	-179	-160.9	178.9	0	0	0	111.7	A388 F389 I392 L488 V489 F495 V496 L529 W537 L559	A388-F492 HydrophobicContact CB-CD2 4.38Å; A388-F492 HydrophobicContact CB-CE2 4.08Å; F389-F492 HydrophobicContact CD1-CZ 4.42Å; F389-F492 AromaticContact CD2-CE2 3.71Å; F389-F492 HydrophobicContact CD2-CE2 3.71Å; F389-F492 AromaticContact CD2-CZ 3.55Å; F389-F492 HydrophobicContact CD2-CZ 3.55Å; F389-F492 HydrophobicContact CE1-CZ 4.32Å; F389-F492 AromaticContact CE2-CE2 3.79Å; F389-F492 HydrophobicContact CE2-CE2 3.79Å; F389-F492 AromaticContact CE2-CZ 3.46Å; F389-F492 HydrophobicContact CE2-CZ 3.46Å; F389-F492 VanDerWaalsContact CE2-CZ 3.46Å; F389-F492 HydrophobicContact CG-CE2 4.48Å; F389-F492 HydrophobicContact CG-CZ 4.05Å; F389-F492 AromaticContact CZ-CZ 3.86Å; F389-F492 HydrophobicContact CZ-CZ 3.86Å; I392-F492 HydrophobicContact CD1-CB 3.83Å; I392-F492 HydrophobicContact CD1-CD2 4.43Å; I392-F492 HydrophobicContact CD1-CG 4.14Å; I392-F492 HydrophobicContact CG1-CB 4.05Å; I392-F492 HydrophobicContact CG1-CD1 4.26Å; I392-F492 HydrophobicContact CG1-CD2 3.73Å; I392-F492 HydrophobicContact CG1-CE2 4.16Å; I392-F492 HydrophobicContact CG1-CG 3.77Å; I392-F492 HydrophobicContact CG2-CD1 4.06Å; I392-F492 HydrophobicContact CG2-CE1 4.23Å; I392-F492 HydrophobicContact CG2-CG 4.41Å; L488-F492 PolarHBondContact O-N 2.84Å; V489-F492 PolarHBondContact O-N 3.05Å; F492-F495 WeakPolarHBondContact O-CB 3.48Å; F492-F495 PolarHBondContact O-N 3.39Å; F492-V496 HydrophobicContact CD2-CG1 4.37Å; F492-V496 HydrophobicContact CE2-CG1 4.43Å; F492-V496 PolarHBondContact O-N 2.85Å; F492-L529 HydrophobicContact CB-CD1 4.46Å; F492-L529 HydrophobicContact CD1-CD1 4.24Å; F492-L529 HydrophobicContact CD1-CD2 4.36Å; F492-L529 HydrophobicContact CD2-CD1 4.45Å; F492-L529 HydrophobicContact CD2-CD2 3.61Å; F492-L529 HydrophobicContact CE1-CD2 4.26Å; F492-L529 HydrophobicContact CE2-CD2 3.51Å; F492-L529 HydrophobicContact CG-CD1 4.11Å; F492-L529 HydrophobicContact CG-CD2 4.07Å; F492-L529 HydrophobicContact CZ-CD2 3.87Å; F492-W537 HydrophobicContact CD1-CZ3 4.33Å; F492-L559 HydrophobicContact CE1-CD2 3.92Å; F492-L559 HydrophobicContact CZ-CD2 3.98Å
493	I	98.5	Very high	97.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.5	-51.2	172	-66.5	170.3	0	0	0	110.4	V489 M491 F495 V496 S497 L500 L523 A524 S527 L529	V489-I493 HydrophobicContact CG1-CD1 3.92Å; V489-I493 VanDerWaalsContact O-CG1 3.31Å; V489-I493 WeakPolarHBondContact O-CG1 3.34Å; V489-I493 PolarHBondContact O-N 2.84Å; M491-I493 VanDerWaalsContact C-N 3.32Å; M491-I493 PolarHBondContact O-N 3.41Å; I493-F495 PolarHBondContact O-N 3.13Å; I493-V496 PolarHBondContact O-N 3.31Å; I493-S497 PolarHBondContact O-N 3.02Å; I493-S497 PolarHBondContact O-OG 3.31Å; I493-L500 HydrophobicContact CB-CD2 4Å; I493-L500 HydrophobicContact CG2-CD2 3.59Å; I493-L523 HydrophobicContact CD1-CD2 4.38Å; I493-L523 HydrophobicContact CD1-CG 4.44Å; I493-A524 HydrophobicContact CD1-CB 4.01Å; I493-A524 HydrophobicContact CG1-CB 4.14Å; I493-S527 WeakPolarHBondContact CG2-OG 3.19Å; I493-L529 HydrophobicContact CG1-CD1 3.94Å
494	E	98.3	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.8	-25.3	179.1	-153.1	-168	-129	0	0	113.3	R375 R467 Y468 Y490 M491 G498 L500	R375-E494 IonicContact CZ-OE2 2.64Å; R375-E494 IonicContact NE-OE2 2.66Å; R375-E494 IonicContact NH2-OE1 3.62Å; R375-E494 IonicContact NH2-OE2 3.73Å; R375-E494 PolarHBondContact NH2-OE2 2.95Å; R467-E494 WeakPolarHBondContact CD-OE1 3.48Å; R467-E494 IonicContact NH1-OE1 3.88Å; Y468-E494 PolarHBondContact OH-OE2 3.41Å; Y490-E494 WeakPolarHBondContact O-CB 3.4Å; Y490-E494 PolarHBondContact O-N 3.24Å; M491-E494 CarbonylContact O-C 3.48Å; M491-E494 PolarHBondContact O-N 3.19Å; M491-E494 VanDerWaalsContact O-N 3.16Å; E494-G498 CarbonylContact O-C 3.45Å; E494-G498 WeakPolarHBondContact O-CA 3.47Å; E494-G498 PolarHBondContact O-N 1.92Å; E494-L500 HydrophobicContact CB-CD1 4.25Å; E494-L500 HydrophobicContact CB-CG 4.03Å; E494-L500 HydrophobicContact CG-CD1 4.44Å; E494-L500 HydrophobicContact CG-CG 4.17Å
495	F	98.4	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.5	-44.3	176	-76.2	5.3	0	0	0	111.7	L371 F383 A388 L391 I392 P414 M491 F492 I493	L371-F495 HydrophobicContact CB-CZ 4.26Å; L371-F495 HydrophobicContact CD1-CE2 4.3Å; L371-F495 HydrophobicContact CD1-CZ 3.88Å; F383-F495 HydrophobicContact CD2-CB 3.76Å; F383-F495 AromaticContact CD2-CD1 3.83Å; F383-F495 HydrophobicContact CD2-CD1 3.83Å; F383-F495 AromaticContact CD2-CD2 3.91Å; F383-F495 HydrophobicContact CD2-CD2 3.91Å; F383-F495 HydrophobicContact CD2-CE1 4.36Å; F383-F495 HydrophobicContact CD2-CE2 4.45Å; F383-F495 AromaticContact CD2-CG 3.56Å; F383-F495 HydrophobicContact CD2-CG 3.56Å; F383-F495 AromaticContact CE2-CD1 3.81Å; F383-F495 HydrophobicContact CE2-CD1 3.81Å; F383-F495 HydrophobicContact CE2-CD2 4.17Å; F383-F495 AromaticContact CE2-CE1 3.9Å; F383-F495 HydrophobicContact CE2-CE1 3.9Å; F383-F495 HydrophobicContact CE2-CE2 4.26Å; F383-F495 AromaticContact CE2-CG 3.94Å; F383-F495 HydrophobicContact CE2-CG 3.94Å; F383-F495 HydrophobicContact CE2-CZ 4.13Å; F383-F495 PolarHBondContact N-O 3.18Å; A388-F495 HydrophobicContact CB-CB 4.21Å; L391-F495 HydrophobicContact CB-CE2 4.24Å; L391-F495 HydrophobicContact CD1-CE2 4.21Å; I392-F495 HydrophobicContact CD1-CD2 3.91Å; I392-F495 HydrophobicContact CD1-CE2 3.79Å; I392-F495 HydrophobicContact CG1-CD2 4.07Å; I392-F495 HydrophobicContact CG1-CE2 4.23Å; P414-F495 HydrophobicContact CB-CE1 3.89Å; P414-F495 HydrophobicContact CB-CZ 4.32Å; P414-F495 HydrophobicContact CG-CE1 3.76Å; P414-F495 HydrophobicContact CG-CZ 4.39Å; M491-F495 HydrophobicContact CB-CE1 4.42Å; M491-F495 HydrophobicContact CB-CZ 4.44Å; M491-F495 HydrophobicContact CE-CE1 4.38Å; M491-F495 HydrophobicContact CE-CE2 4.34Å; M491-F495 HydrophobicContact CE-CZ 3.71Å; M491-F495 WeakPolarHBondContact O-CB 3.25Å; M491-F495 WeakPolarHBondContact O-CD1 3.44Å; M491-F495 WeakPolarHBondContact O-CG 3.45Å; M491-F495 PolarHBondContact O-N 3.04Å; F492-F495 WeakPolarHBondContact O-CB 3.48Å; F492-F495 PolarHBondContact O-N 3.39Å; I493-F495 PolarHBondContact O-N 3.13Å
496	V	97.9	Very high	97	Very high	16 Å²	16	28.4 Å²	28.4	10%	0.097	13%	0.125	C	C	.	.	H	α-helix	trans	-91.4	-28	-174.7	-55.5	0	0	0	0	114.1	I382 L385 A388 F492 I493 S527 L529	I382-V496 WeakPolarHBondContact CG2-O 3.41Å; L385-V496 HydrophobicContact CD2-CB 4.24Å; L385-V496 HydrophobicContact CD2-CG1 3.68Å; A388-V496 HydrophobicContact CB-CG1 3.85Å; F492-V496 HydrophobicContact CD2-CG1 4.37Å; F492-V496 HydrophobicContact CE2-CG1 4.43Å; F492-V496 PolarHBondContact O-N 2.85Å; I493-V496 PolarHBondContact O-N 3.31Å; V496-S527 WeakPolarHBondContact CG2-O 3.37Å; V496-L529 HydrophobicContact CB-CD2 4.33Å; V496-L529 HydrophobicContact CG1-CD2 3.77Å; V496-L529 HydrophobicContact CG2-CD2 3.65Å; V496-L529 HydrophobicContact CG2-CG 3.79Å
497	S	96.8	Very high	96.8	Very high	23 Å²	23	30.6 Å²	30.6	16%	0.161	14%	0.138	C	C	.	.	H	α-helix	trans	-107.5	4.9	176.1	64.1	0	0	0	0	114.6	I493 Q499 S527	I493-S497 PolarHBondContact O-N 3.02Å; I493-S497 PolarHBondContact O-OG 3.31Å; S497-Q499 PolarHBondContact O-N 2.91Å; S497-Q499 PolarHBondContact OG-O 3.08Å; S497-Q499 VanDerWaalsContact OG-O 3.11Å; S497-S527 WeakPolarHBondContact CB-OG 3.2Å; S497-S527 WeakPolarHBondContact OG-CB 3.49Å; S497-S527 PolarHBondContact OG-OG 2.71Å
498	G	96.2	Very high	96.6	Very high	10 Å²	10	33.5 Å²	33.5	10%	0.103	15%	0.15	C	C	.	.	S	Bend	trans	70.9	-18.6	175.5	0	0	0	0	0	115.8	R375 A381 E494	R375-G498 PolarHBondContact NH1-O 2.75Å; R375-G498 PolarHBondContact NH2-O 2.8Å; A381-G498 WeakPolarHBondContact O-CA 3.31Å; E494-G498 CarbonylContact O-C 3.45Å; E494-G498 WeakPolarHBondContact O-CA 3.47Å; E494-G498 PolarHBondContact O-N 1.92Å
499	Q	95.7	Very high	96.5	Very high	55 Å²	55	38.3 Å²	38.3	26%	0.257	17%	0.172	S	C	.	.			trans	-150.6	158.1	-177.6	60	176.8	-4.8	0	0	112.5	S497	S497-Q499 PolarHBondContact O-N 2.91Å; S497-Q499 PolarHBondContact OG-O 3.08Å; S497-Q499 VanDerWaalsContact OG-O 3.11Å
500	L	97.5	Very high	96.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	18%	0.176	C	C	.	.			trans	-104.5	151.6	168.2	-70.2	163	0	0	0	110.1	R467 Y468 Y490 I493 E494 W502 R503	R467-L500 HydrophobicContact CG-CD1 3.86Å; Y468-L500 HydrophobicContact CD1-CD1 4.38Å; Y468-L500 HydrophobicContact CE1-CD1 4.32Å; Y490-L500 HydrophobicContact CD1-CD2 4.41Å; I493-L500 HydrophobicContact CB-CD2 4Å; I493-L500 HydrophobicContact CG2-CD2 3.59Å; E494-L500 HydrophobicContact CB-CD1 4.25Å; E494-L500 HydrophobicContact CB-CG 4.03Å; E494-L500 HydrophobicContact CG-CD1 4.44Å; E494-L500 HydrophobicContact CG-CG 4.17Å; L500-W502 HydrophobicContact CB-CD2 4.39Å; L500-W502 HydrophobicContact CB-CZ2 4.11Å; L500-W502 HydrophobicContact CD1-CZ2 4.11Å; L500-W502 HydrophobicContact CD2-CH2 4.25Å; L500-W502 HydrophobicContact CD2-CZ2 3.8Å; L500-W502 HydrophobicContact CG-CZ2 4.23Å; L500-W502 PolarHBondContact O-N 3.06Å; L500-R503 WeakPolarHBondContact O-CB 3.33Å; L500-R503 PolarHBondContact O-N 3.17Å
501	P	97.1	Very high	96.4	Very high	22 Å²	22	39 Å²	39	14%	0.143	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.7	-177.7	-26.7	34.5	0	0	0	114.6	M514 L518 L523 F1183 A1187	P501-M514 HydrophobicContact CB-CE 4.42Å; P501-L518 HydrophobicContact CB-CD1 4.34Å; P501-L518 HydrophobicContact CG-CD1 4.34Å; P501-L523 HydrophobicContact CG-CD1 3.49Å; P501-L523 VanDerWaalsContact CG-CD1 3.49Å; P501-L523 HydrophobicContact CG-CD2 4.21Å; P501-F1183 HydrophobicContact CG-CE1 4.15Å; P501-A1187 HydrophobicContact CB-CB 3.92Å
502	W	97.6	Very high	96.3	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.011	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	11.3	179.1	52.6	81.3	0	0	0	113.9	R467 Y490 L500 R504 I505 V511 M514 K515 L518 L523	R467-W502 PolarHBondContact O-NE1 2.9Å; Y490-W502 AromaticContact CD1-CH2 3.62Å; Y490-W502 HydrophobicContact CD1-CH2 3.62Å; Y490-W502 AromaticContact CD1-CZ2 3.42Å; Y490-W502 HydrophobicContact CD1-CZ2 3.42Å; Y490-W502 VanDerWaalsContact CD1-CZ2 3.42Å; Y490-W502 AromaticContact CE1-CH2 3.48Å; Y490-W502 HydrophobicContact CE1-CH2 3.48Å; Y490-W502 VanDerWaalsContact CE1-CH2 3.48Å; Y490-W502 AromaticContact CE1-CZ2 3.62Å; Y490-W502 HydrophobicContact CE1-CZ2 3.62Å; Y490-W502 HydrophobicContact CG-CZ2 4.13Å; L500-W502 HydrophobicContact CB-CD2 4.39Å; L500-W502 HydrophobicContact CB-CZ2 4.11Å; L500-W502 HydrophobicContact CD1-CZ2 4.11Å; L500-W502 HydrophobicContact CD2-CH2 4.25Å; L500-W502 HydrophobicContact CD2-CZ2 3.8Å; L500-W502 HydrophobicContact CG-CZ2 4.23Å; L500-W502 PolarHBondContact O-N 3.06Å; W502-R504 VanDerWaalsContact C-N 3.25Å; W502-R504 PolarHBondContact O-N 2.96Å; W502-R504 VanDerWaalsContact O-N 3.12Å; W502-I505 PolarHBondContact O-N 3.18Å; W502-V511 HydrophobicContact CB-CG1 4.19Å; W502-V511 HydrophobicContact CB-CG2 4.17Å; W502-V511 HydrophobicContact CG-CG1 3.87Å; W502-M514 HydrophobicContact CB-CE 4.39Å; W502-M514 HydrophobicContact CB-SD 4.15Å; W502-K515 HydrophobicContact CD2-CG 4.32Å; W502-K515 HydrophobicContact CE3-CG 4.13Å; W502-K515 HydrophobicContact CH2-CG 4.03Å; W502-K515 HydrophobicContact CZ2-CD 4.37Å; W502-K515 VanDerWaalsContact CZ2-CE 3.45Å; W502-K515 HydrophobicContact CZ2-CG 4.19Å; W502-K515 HydrophobicContact CZ3-CG 3.98Å; W502-L518 HydrophobicContact CE3-CD1 4.12Å; W502-L518 HydrophobicContact CZ3-CD1 3.78Å; W502-L523 HydrophobicContact CH2-CD2 3.9Å; W502-L523 HydrophobicContact CZ3-CD2 4.01Å
503	R	94.7	Very high	96.3	Very high	38 Å²	38	42.2 Å²	42.2	14%	0.143	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-44.5	-176.2	169	175.3	160.5	62	8.7	113.1	R467 L500 D736 D738	R467-R503 PolarHBondContact NH2-O 3.36Å; L500-R503 WeakPolarHBondContact O-CB 3.33Å; L500-R503 PolarHBondContact O-N 3.17Å; R503-D736 IonicContact NH2-OD2 3.43Å; R503-D736 PolarHBondContact NH2-OD2 2.9Å; R503-D738 IonicContact CZ-OD2 3.24Å; R503-D738 IonicContact NH1-OD1 3.01Å; R503-D738 IonicContact NH1-OD2 2.78Å; R503-D738 PolarHBondContact NH1-OD2 2.91Å; R503-D738 IonicContact NH2-OD2 2.67Å
504	R	93.6	Very high	96.3	Very high	150 Å²	150	42.3 Å²	42.3	57%	0.566	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	9.8	-174.8	-65.2	-179.3	175.8	135.9	-3.4	114.3	W502 E1184	W502-R504 VanDerWaalsContact C-N 3.25Å; W502-R504 PolarHBondContact O-N 2.96Å; W502-R504 VanDerWaalsContact O-N 3.12Å; R504-E1184 IonicContact CZ-OE1 3.61Å; R504-E1184 IonicContact NH1-OE1 3.88Å; R504-E1184 PolarHBondContact NH1-OE1 3.27Å; R504-E1184 IonicContact NH2-OE1 2.73Å
505	I	95	Very high	96.2	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.118	19%	0.192	C	C	.	.			trans	-113.1	124	-172.6	-62.7	171.7	0	0	0	110.9	W502 D507 L510 V511 M514 R1191	W502-I505 PolarHBondContact O-N 3.18Å; I505-D507 HydrophobicContact CG2-CB 4.4Å; I505-L510 HydrophobicContact CG2-CB 4.4Å; I505-L510 HydrophobicContact CG2-CD2 3.95Å; I505-L510 HydrophobicContact CG2-CG 4.24Å; I505-V511 HydrophobicContact CB-CG2 4.11Å; I505-V511 HydrophobicContact CG2-CG2 3.78Å; I505-M514 HydrophobicContact CD1-CE 4.15Å; I505-M514 HydrophobicContact CD1-SD 3.34Å; I505-M514 WeakPolarHBondContact CD1-SD 3.38Å; I505-R1191 HydrophobicContact CD1-CG 4.28Å
506	R	90.5	Very high	96.1	Very high	212 Å²	212	47.3 Å²	47.3	80%	0.8	22%	0.217	S	C	*	.			trans	-99	-17	-179.7	-60.9	-177.1	-176.7	177.5	0.5	114.3	K508	R506-K508 PolarHBondContact O-N 3.42Å
507	D	95	Very high	96.1	Very high	69 Å²	69	48.7 Å²	48.7	37%	0.369	23%	0.23	S	C	.	.			trans	-67.6	102	174.4	174.9	-4.5	0	0	0	108.8	I505 E509 L510 V511 K1198	I505-D507 HydrophobicContact CG2-CB 4.4Å; D507-E509 PolarHBondContact O-N 2.98Å; D507-E509 WeakPolarHBondContact OD1-CB 3.28Å; D507-E509 PolarHBondContact OD1-N 3.45Å; D507-L510 HydrophobicContact CB-CB 3.82Å; D507-L510 VanDerWaalsContact CG-CB 3.46Å; D507-L510 PolarHBondContact O-N 3.42Å; D507-L510 VanDerWaalsContact O-N 3.17Å; D507-L510 PolarHBondContact OD1-N 2.88Å; D507-L510 VanDerWaalsContact OD1-N 3.12Å; D507-L510 WeakPolarHBondContact OD2-CB 3.5Å; D507-V511 WeakPolarHBondContact O-CG2 3.36Å; D507-V511 PolarHBondContact O-N 2.63Å; D507-K1198 IonicContact OD2-NZ 2.72Å; D507-K1198 PolarHBondContact OD2-NZ 2.82Å
508	K	94	Very high	96	Very high	69 Å²	69	48.8 Å²	48.8	30%	0.3	23%	0.228	S	C	.	.	H	α-helix	trans	-49.1	-46.1	179.9	-177.9	-178.8	-175.8	178.9	0	112	F462 V466 H474 R506 V511 G512	F462-K508 HydrophobicContact CD1-CD 4.39Å; F462-K508 HydrophobicContact CE1-CD 4.35Å; F462-K508 HydrophobicContact CE1-CG 4.17Å; F462-K508 PolarHBondContact O-NZ 2.8Å; F462-K508 VanDerWaalsContact O-NZ 3.1Å; V466-K508 HydrophobicContact CG2-CB 4.39Å; V466-K508 HydrophobicContact CG2-CG 4.24Å; H474-K508 PolarHBondContact CE1-O 3.4Å; H474-K508 VanDerWaalsContact CE1-O 3.23Å; H474-K508 PolarHBondContact ND1-O 3.04Å; H474-K508 VanDerWaalsContact ND1-O 3.14Å; R506-K508 PolarHBondContact O-N 3.42Å; K508-V511 PolarHBondContact O-N 2.63Å; K508-G512 PolarHBondContact O-N 3Å
509	E	95.5	Very high	96	Very high	101 Å²	101	52.4 Å²	52.4	47%	0.472	25%	0.245	S	C	.	.	H	α-helix	trans	-69.4	-41.2	-176.3	-161.9	62.3	-153.5	0	0	111	D507 G512 Q513	D507-E509 PolarHBondContact O-N 2.98Å; D507-E509 WeakPolarHBondContact OD1-CB 3.28Å; D507-E509 PolarHBondContact OD1-N 3.45Å; E509-G512 PolarHBondContact O-N 3.17Å; E509-Q513 VanDerWaalsContact O-CG 3.27Å; E509-Q513 WeakPolarHBondContact O-CG 3.24Å; E509-Q513 PolarHBondContact O-N 2.88Å
510	L	97	Very high	96	Very high	21 Å²	21	50.5 Å²	50.5	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-36.2	173.8	-178.2	60.1	0	0	0	112.3	I505 D507 Q513 M514 L1194	I505-L510 HydrophobicContact CG2-CB 4.4Å; I505-L510 HydrophobicContact CG2-CD2 3.95Å; I505-L510 HydrophobicContact CG2-CG 4.24Å; D507-L510 HydrophobicContact CB-CB 3.82Å; D507-L510 VanDerWaalsContact CG-CB 3.46Å; D507-L510 PolarHBondContact O-N 3.42Å; D507-L510 VanDerWaalsContact O-N 3.17Å; D507-L510 PolarHBondContact OD1-N 2.88Å; D507-L510 VanDerWaalsContact OD1-N 3.12Å; D507-L510 WeakPolarHBondContact OD2-CB 3.5Å; L510-Q513 PolarHBondContact O-N 3.17Å; L510-M514 HydrophobicContact CD1-CG 4.46Å; L510-M514 WeakPolarHBondContact O-CB 3.46Å; L510-M514 WeakPolarHBondContact O-CG 3.27Å; L510-M514 PolarHBondContact O-N 3.47Å; L510-L1194 HydrophobicContact CD1-CB 4.17Å
511	V	98	Very high	96	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-40.9	173.1	176.5	0	0	0	0	110.9	V466 W502 I505 D507 K508 M514 K515	V466-V511 HydrophobicContact CG1-CB 3.89Å; V466-V511 HydrophobicContact CG1-CG1 4.02Å; V466-V511 HydrophobicContact CG1-CG2 3.91Å; W502-V511 HydrophobicContact CB-CG1 4.19Å; W502-V511 HydrophobicContact CB-CG2 4.17Å; W502-V511 HydrophobicContact CG-CG1 3.87Å; I505-V511 HydrophobicContact CB-CG2 4.11Å; I505-V511 HydrophobicContact CG2-CG2 3.78Å; D507-V511 WeakPolarHBondContact O-CG2 3.36Å; D507-V511 PolarHBondContact O-N 2.63Å; K508-V511 PolarHBondContact O-N 2.63Å; V511-M514 PolarHBondContact O-N 3.23Å; V511-K515 HydrophobicContact CG1-CD 4.38Å; V511-K515 WeakPolarHBondContact O-CG 3.28Å; V511-K515 PolarHBondContact O-N 3.27Å
512	G	97.4	Very high	96	Very high	4 Å²	4	57.2 Å²	57.2	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-49.3	172.9	0	0	0	0	0	112.4	H474 K508 E509 M514 K515 M516	H474-G512 VanDerWaalsContact CG-CA 3.46Å; H474-G512 WeakPolarHBondContact ND1-CA 3.43Å; H474-G512 PolarHBondContact ND1-N 3.13Å; K508-G512 PolarHBondContact O-N 3Å; E509-G512 PolarHBondContact O-N 3.17Å; G512-M514 PolarHBondContact O-N 3.07Å; G512-K515 PolarHBondContact O-N 3.35Å; G512-M516 WeakPolarHBondContact O-CG 3.37Å; G512-M516 PolarHBondContact O-N 3.27Å
513	Q	97.6	Very high	96	Very high	67 Å²	67	57.8 Å²	57.8	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-41.6	177.1	-70.1	166.5	8.4	0	0	112.5	E509 L510 K515 M516 A517	E509-Q513 VanDerWaalsContact O-CG 3.27Å; E509-Q513 WeakPolarHBondContact O-CG 3.24Å; E509-Q513 PolarHBondContact O-N 2.88Å; L510-Q513 PolarHBondContact O-N 3.17Å; Q513-K515 PolarHBondContact O-N 2.79Å; Q513-M516 PolarHBondContact O-N 3.17Å; Q513-A517 VanDerWaalsContact O-CB 3.29Å; Q513-A517 WeakPolarHBondContact O-CB 3.32Å; Q513-A517 PolarHBondContact O-N 2.83Å
514	M	97.7	Very high	96.1	Very high	2 Å²	2	56 Å²	56	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-41.7	173.5	-78.6	-176.6	79.7	0	0	112.1	P501 W502 I505 L510 V511 G512 A517 L518 L1194	P501-M514 HydrophobicContact CB-CE 4.42Å; W502-M514 HydrophobicContact CB-CE 4.39Å; W502-M514 HydrophobicContact CB-SD 4.15Å; I505-M514 HydrophobicContact CD1-CE 4.15Å; I505-M514 HydrophobicContact CD1-SD 3.34Å; I505-M514 WeakPolarHBondContact CD1-SD 3.38Å; L510-M514 HydrophobicContact CD1-CG 4.46Å; L510-M514 WeakPolarHBondContact O-CB 3.46Å; L510-M514 WeakPolarHBondContact O-CG 3.27Å; L510-M514 PolarHBondContact O-N 3.47Å; V511-M514 PolarHBondContact O-N 3.23Å; G512-M514 PolarHBondContact O-N 3.07Å; M514-A517 PolarHBondContact O-N 3.09Å; M514-L518 WeakPolarHBondContact O-CB 3.48Å; M514-L518 WeakPolarHBondContact O-CD1 3.14Å; M514-L518 VanDerWaalsContact O-CG 3.26Å; M514-L518 WeakPolarHBondContact O-CG 3.38Å; M514-L518 PolarHBondContact O-N 2.67Å; M514-L1194 HydrophobicContact CB-CD1 4.26Å; M514-L1194 HydrophobicContact CG-CD1 3.4Å; M514-L1194 VanDerWaalsContact CG-CD1 3.4Å
515	K	97.8	Very high	96.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-46.7	175.7	-71.9	179.5	-178.2	-144.2	0	110.9	R467 A469 I471 Y490 W502 V511 G512 Q513 A517 L518 H520	R467-K515 PolarHBondContact O-NZ 3.09Å; A469-K515 PolarHBondContact O-NZ 3.34Å; I471-K515 HydrophobicContact CD1-CB 4.49Å; I471-K515 HydrophobicContact CG1-CB 3.94Å; Y490-K515 HydrophobicContact CE1-CD 4.48Å; Y490-K515 HydrophobicContact CE2-CD 4.37Å; Y490-K515 VanDerWaalsContact CE2-NZ 3.33Å; W502-K515 HydrophobicContact CD2-CG 4.32Å; W502-K515 HydrophobicContact CE3-CG 4.13Å; W502-K515 HydrophobicContact CH2-CG 4.03Å; W502-K515 HydrophobicContact CZ2-CD 4.37Å; W502-K515 VanDerWaalsContact CZ2-CE 3.45Å; W502-K515 HydrophobicContact CZ2-CG 4.19Å; W502-K515 HydrophobicContact CZ3-CG 3.98Å; V511-K515 HydrophobicContact CG1-CD 4.38Å; V511-K515 WeakPolarHBondContact O-CG 3.28Å; V511-K515 PolarHBondContact O-N 3.27Å; G512-K515 PolarHBondContact O-N 3.35Å; Q513-K515 PolarHBondContact O-N 2.79Å; K515-A517 VanDerWaalsContact C-N 3.26Å; K515-A517 PolarHBondContact O-N 2.91Å; K515-L518 PolarHBondContact O-N 2.73Å; K515-H520 PolarHBondContact O-CE1 3.35Å
516	M	96.6	Very high	96.4	Very high	106 Å²	106	55.8 Å²	55.8	52%	0.522	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-29.8	177.6	-69.5	174.6	179.2	0	0	113.8	I471 A475 G512 Q513	I471-M516 HydrophobicContact CG2-CE 3.68Å; I471-M516 HydrophobicContact CG2-CG 3.71Å; A475-M516 HydrophobicContact CB-CE 4.01Å; G512-M516 WeakPolarHBondContact O-CG 3.37Å; G512-M516 PolarHBondContact O-N 3.27Å; Q513-M516 PolarHBondContact O-N 3.17Å
517	A	96.4	Very high	96.6	Very high	45 Å²	45	46.2 Å²	46.2	37%	0.372	23%	0.229	S	C	.	.	H	α-helix	trans	-88.3	-9.2	-177.7	0	0	0	0	0	114.9	Q513 M514 K515 Y1190	Q513-A517 VanDerWaalsContact O-CB 3.29Å; Q513-A517 WeakPolarHBondContact O-CB 3.32Å; Q513-A517 PolarHBondContact O-N 2.83Å; M514-A517 PolarHBondContact O-N 3.09Å; K515-A517 VanDerWaalsContact C-N 3.26Å; K515-A517 PolarHBondContact O-N 2.91Å; A517-Y1190 HydrophobicContact CB-CE1 4.47Å; A517-Y1190 WeakPolarHBondContact O-CE1 3.38Å
518	L	95.4	Very high	96.7	Very high	25 Å²	25	45 Å²	45	13%	0.131	23%	0.233	C	C	.	.	S	Bend	trans	-102	141.4	-176.6	-77	168.2	0	0	0	111.6	P501 W502 M514 K515 H520 Y1190	P501-L518 HydrophobicContact CB-CD1 4.34Å; P501-L518 HydrophobicContact CG-CD1 4.34Å; W502-L518 HydrophobicContact CE3-CD1 4.12Å; W502-L518 HydrophobicContact CZ3-CD1 3.78Å; M514-L518 WeakPolarHBondContact O-CB 3.48Å; M514-L518 WeakPolarHBondContact O-CD1 3.14Å; M514-L518 VanDerWaalsContact O-CG 3.26Å; M514-L518 WeakPolarHBondContact O-CG 3.38Å; M514-L518 PolarHBondContact O-N 2.67Å; K515-L518 PolarHBondContact O-N 2.73Å; L518-H520 PolarHBondContact O-CE1 2.83Å; L518-H520 VanDerWaalsContact O-CE1 3.29Å; L518-H520 PolarHBondContact O-N 2.84Å; L518-H520 PolarHBondContact O-ND1 2.85Å; L518-H520 VanDerWaalsContact O-ND1 3.16Å; L518-Y1190 HydrophobicContact CD2-CD1 3.99Å; L518-Y1190 HydrophobicContact CD2-CD2 3.76Å; L518-Y1190 HydrophobicContact CD2-CE1 4Å; L518-Y1190 HydrophobicContact CD2-CE2 3.76Å; L518-Y1190 HydrophobicContact CD2-CG 3.87Å; L518-Y1190 HydrophobicContact CG-CD1 4.49Å
519	N	96.2	Very high	96.8	Very high	86 Å²	86	42.2 Å²	42.2	46%	0.46	22%	0.221	S	C	.	.			trans	-79.5	110.3	168.5	-177.7	-43.1	0	0	0	109.5	R521 E522 L523	N519-R521 VanDerWaalsContact C-N 3.34Å; N519-R521 PolarHBondContact O-N 3.33Å; N519-R521 WeakPolarHBondContact OD1-CB 3.19Å; N519-R521 PolarHBondContact OD1-N 2.99Å; N519-R521 VanDerWaalsContact OD1-N 3.08Å; N519-E522 HydrophobicContact CB-CB 3.88Å; N519-E522 PolarHBondContact O-N 2.98Å; N519-E522 PolarHBondContact OD1-N 2.89Å; N519-L523 WeakPolarHBondContact O-CB 3.46Å; N519-L523 PolarHBondContact O-N 3.17Å
520	H	96.3	Very high	96.9	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.065	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-32.5	-175.8	-64.6	63	0	0	0	113.7	I471 W486 Y490 K515 L518 A524 I538	I471-H520 WeakPolarHBondContact CD1-CE1 3.47Å; W486-H520 HydrophobicContact CH2-CB 4.27Å; W486-H520 HydrophobicContact CZ3-CB 4.04Å; W486-H520 AromaticContact CZ3-CD2 3.51Å; W486-H520 AromaticContact CZ3-CG 3.83Å; Y490-H520 AromaticContact CE1-CD2 3.59Å; Y490-H520 AromaticContact CE1-NE2 3.18Å; Y490-H520 WeakPolarHBondContact CE1-NE2 3.32Å; Y490-H520 AromaticContact CZ-CD2 3.89Å; Y490-H520 AromaticContact CZ-NE2 2.98Å; Y490-H520 PolarHBondContact OH-CD2 2.75Å; Y490-H520 PolarHBondContact OH-NE2 2.94Å; K515-H520 PolarHBondContact O-CE1 3.35Å; L518-H520 PolarHBondContact O-CE1 2.83Å; L518-H520 VanDerWaalsContact O-CE1 3.29Å; L518-H520 PolarHBondContact O-N 2.84Å; L518-H520 PolarHBondContact O-ND1 2.85Å; L518-H520 VanDerWaalsContact O-ND1 3.16Å; H520-A524 VanDerWaalsContact O-CB 3.26Å; H520-A524 WeakPolarHBondContact O-CB 3.48Å; H520-A524 PolarHBondContact O-N 2.74Å; H520-I538 HydrophobicContact CB-CD1 3.93Å; H520-I538 WeakPolarHBondContact O-CD1 3.21Å
521	R	97	Very high	96.9	Very high	80 Å²	80	41.5 Å²	41.5	30%	0.302	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-47.6	174.3	-177.8	-176.2	-57.3	-149	8	110.7	N519 L523 A524 I525 V534 T535 T539	N519-R521 VanDerWaalsContact C-N 3.34Å; N519-R521 PolarHBondContact O-N 3.33Å; N519-R521 WeakPolarHBondContact OD1-CB 3.19Å; N519-R521 PolarHBondContact OD1-N 2.99Å; N519-R521 VanDerWaalsContact OD1-N 3.08Å; R521-L523 PolarHBondContact O-N 3.48Å; R521-A524 PolarHBondContact O-N 2.68Å; R521-I525 HydrophobicContact CG-CD1 3.76Å; R521-I525 WeakPolarHBondContact O-CB 3.36Å; R521-I525 WeakPolarHBondContact O-CD1 3.39Å; R521-I525 VanDerWaalsContact O-CG1 3.25Å; R521-I525 WeakPolarHBondContact O-CG1 3.37Å; R521-I525 PolarHBondContact O-N 3.04Å; R521-V534 HydrophobicContact CB-CG1 4.32Å; R521-V534 HydrophobicContact CG-CG1 3.92Å; R521-T535 VanDerWaalsContact NH1-CG2 3.34Å; R521-T535 PolarHBondContact NH1-OG1 3.15Å; R521-T535 VanDerWaalsContact NH1-OG1 3.11Å; R521-T539 PolarHBondContact NH2-OG1 3.38Å
522	E	96.7	Very high	96.8	Very high	85 Å²	85	45.8 Å²	45.8	40%	0.397	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-43.1	176.7	-165	-168	160.6	0	0	111.5	N519 K526	N519-E522 HydrophobicContact CB-CB 3.88Å; N519-E522 PolarHBondContact O-N 2.98Å; N519-E522 PolarHBondContact OD1-N 2.89Å; E522-K526 HydrophobicContact CG-CD 4.13Å; E522-K526 VanDerWaalsContact O-CB 3.28Å; E522-K526 WeakPolarHBondContact O-CB 3.06Å; E522-K526 VanDerWaalsContact O-CG 3.3Å; E522-K526 WeakPolarHBondContact O-CG 3.32Å; E522-K526 PolarHBondContact O-N 3.33Å; E522-K526 VanDerWaalsContact OE1-CE 3.27Å; E522-K526 WeakPolarHBondContact OE1-CE 3.42Å; E522-K526 IonicContact OE1-NZ 2.62Å; E522-K526 PolarHBondContact OE1-NZ 3.27Å
523	L	97.1	Very high	96.8	Very high	15 Å²	15	45.9 Å²	45.9	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-51	176.4	177.5	62.7	0	0	0	111.9	I493 P501 W502 N519 R521 K526 S527 F1183	I493-L523 HydrophobicContact CD1-CD2 4.38Å; I493-L523 HydrophobicContact CD1-CG 4.44Å; P501-L523 HydrophobicContact CG-CD1 3.49Å; P501-L523 VanDerWaalsContact CG-CD1 3.49Å; P501-L523 HydrophobicContact CG-CD2 4.21Å; W502-L523 HydrophobicContact CH2-CD2 3.9Å; W502-L523 HydrophobicContact CZ3-CD2 4.01Å; N519-L523 WeakPolarHBondContact O-CB 3.46Å; N519-L523 PolarHBondContact O-N 3.17Å; R521-L523 PolarHBondContact O-N 3.48Å; L523-K526 PolarHBondContact O-N 2.84Å; L523-S527 PolarHBondContact O-N 3.1Å; L523-S527 PolarHBondContact O-OG 2.89Å; L523-F1183 HydrophobicContact CD1-CE1 4.27Å; L523-F1183 HydrophobicContact CD1-CE2 4.43Å; L523-F1183 HydrophobicContact CD1-CZ 3.61Å
524	A	97.2	Very high	96.8	Very high	1 Å²	1	43 Å²	43	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-42.8	-178.6	0	0	0	0	0	112.5	I493 H520 R521 S527 G528 L529 V534 I538	I493-A524 HydrophobicContact CD1-CB 4.01Å; I493-A524 HydrophobicContact CG1-CB 4.14Å; H520-A524 VanDerWaalsContact O-CB 3.26Å; H520-A524 WeakPolarHBondContact O-CB 3.48Å; H520-A524 PolarHBondContact O-N 2.74Å; R521-A524 PolarHBondContact O-N 2.68Å; A524-S527 WeakPolarHBondContact O-CB 3.37Å; A524-S527 PolarHBondContact O-N 2.98Å; A524-G528 PolarHBondContact O-N 2.95Å; A524-L529 HydrophobicContact CB-CD1 4.1Å; A524-L529 WeakPolarHBondContact O-CB 3.22Å; A524-L529 PolarHBondContact O-N 2.69Å; A524-L529 VanDerWaalsContact O-N 3.15Å; A524-V534 HydrophobicContact CB-CB 4.37Å; A524-V534 HydrophobicContact CB-CG1 3.59Å; A524-V534 HydrophobicContact CB-CG2 3.72Å; A524-I538 HydrophobicContact CB-CD1 4.21Å
525	I	97.5	Very high	96.7	Very high	59 Å²	59	45.1 Å²	45.1	30%	0.303	25%	0.248	S	C	.	.	H	α-helix	trans	-64.5	-43.7	175.5	-67.2	166.9	0	0	0	110.7	R521 S527 G528 V531 V534	R521-I525 HydrophobicContact CG-CD1 3.76Å; R521-I525 WeakPolarHBondContact O-CB 3.36Å; R521-I525 WeakPolarHBondContact O-CD1 3.39Å; R521-I525 VanDerWaalsContact O-CG1 3.25Å; R521-I525 WeakPolarHBondContact O-CG1 3.37Å; R521-I525 PolarHBondContact O-N 3.04Å; I525-S527 PolarHBondContact O-N 2.95Å; I525-G528 PolarHBondContact O-N 2.97Å; I525-V531 HydrophobicContact CD1-CB 4.3Å; I525-V531 HydrophobicContact CD1-CG1 3.94Å; I525-V531 HydrophobicContact CD1-CG2 4.04Å; I525-V531 HydrophobicContact CG1-CG2 4.08Å; I525-V531 HydrophobicContact CG2-CG2 3.95Å; I525-V534 HydrophobicContact CG1-CB 4.24Å; I525-V534 HydrophobicContact CG1-CG1 4.17Å; I525-V534 HydrophobicContact CG1-CG2 4.36Å
526	K	96.8	Very high	96.7	Very high	109 Å²	109	46.7 Å²	46.7	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-24.1	176.4	-77.9	178.5	170.6	177.9	0	113.7	E522 L523 F1183	E522-K526 HydrophobicContact CG-CD 4.13Å; E522-K526 VanDerWaalsContact O-CB 3.28Å; E522-K526 WeakPolarHBondContact O-CB 3.06Å; E522-K526 VanDerWaalsContact O-CG 3.3Å; E522-K526 WeakPolarHBondContact O-CG 3.32Å; E522-K526 PolarHBondContact O-N 3.33Å; E522-K526 VanDerWaalsContact OE1-CE 3.27Å; E522-K526 WeakPolarHBondContact OE1-CE 3.42Å; E522-K526 IonicContact OE1-NZ 2.62Å; E522-K526 PolarHBondContact OE1-NZ 3.27Å; L523-K526 PolarHBondContact O-N 2.84Å; K526-F1183 HydrophobicContact CB-CE2 4.27Å
527	S	96	Very high	96.7	Very high	12 Å²	12	42 Å²	42	8%	0.084	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.7	170.8	-80.5	0	0	0	0	114	I493 V496 S497 L523 A524 I525 F1183	I493-S527 WeakPolarHBondContact CG2-OG 3.19Å; V496-S527 WeakPolarHBondContact CG2-O 3.37Å; S497-S527 WeakPolarHBondContact CB-OG 3.2Å; S497-S527 WeakPolarHBondContact OG-CB 3.49Å; S497-S527 PolarHBondContact OG-OG 2.71Å; L523-S527 PolarHBondContact O-N 3.1Å; L523-S527 PolarHBondContact O-OG 2.89Å; A524-S527 WeakPolarHBondContact O-CB 3.37Å; A524-S527 PolarHBondContact O-N 2.98Å; I525-S527 PolarHBondContact O-N 2.95Å; S527-F1183 VanDerWaalsContact OG-CE2 3.23Å; S527-F1183 WeakPolarHBondContact OG-CE2 3.29Å; S527-F1183 WeakPolarHBondContact OG-CZ 3.41Å
528	G	95.7	Very high	96.8	Very high	44 Å²	44	39.9 Å²	39.9	45%	0.454	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	13.1	-179.5	0	0	0	0	0	115	A524 I525	A524-G528 PolarHBondContact O-N 2.95Å; I525-G528 PolarHBondContact O-N 2.97Å
529	L	97.6	Very high	96.9	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.047	23%	0.226	C	C	.	.			trans	-76.9	139.7	170.3	-64.7	176.8	0	0	0	110.9	F492 I493 V496 A524 V534	F492-L529 HydrophobicContact CB-CD1 4.46Å; F492-L529 HydrophobicContact CD1-CD1 4.24Å; F492-L529 HydrophobicContact CD1-CD2 4.36Å; F492-L529 HydrophobicContact CD2-CD1 4.45Å; F492-L529 HydrophobicContact CD2-CD2 3.61Å; F492-L529 HydrophobicContact CE1-CD2 4.26Å; F492-L529 HydrophobicContact CE2-CD2 3.51Å; F492-L529 HydrophobicContact CG-CD1 4.11Å; F492-L529 HydrophobicContact CG-CD2 4.07Å; F492-L529 HydrophobicContact CZ-CD2 3.87Å; I493-L529 HydrophobicContact CG1-CD1 3.94Å; V496-L529 HydrophobicContact CB-CD2 4.33Å; V496-L529 HydrophobicContact CG1-CD2 3.77Å; V496-L529 HydrophobicContact CG2-CD2 3.65Å; V496-L529 HydrophobicContact CG2-CG 3.79Å; A524-L529 HydrophobicContact CB-CD1 4.1Å; A524-L529 WeakPolarHBondContact O-CB 3.22Å; A524-L529 PolarHBondContact O-N 2.69Å; A524-L529 VanDerWaalsContact O-N 3.15Å; L529-V534 HydrophobicContact CB-CG2 3.41Å; L529-V534 VanDerWaalsContact CB-CG2 3.41Å; L529-V534 HydrophobicContact CD1-CG2 4.3Å; L529-V534 HydrophobicContact CG-CG2 4.5Å
530	P	97.1	Very high	97	Very high	24 Å²	24	38 Å²	38	16%	0.156	21%	0.21	C	C	.	.			trans	-58.8	137.6	179.4	-24.5	34	0	0	0	113.8	F389 D532 I533 V534 W562	F389-P530 HydrophobicContact CZ-CG 3.91Å; P530-D532 VanDerWaalsContact C-N 3.33Å; P530-D532 WeakPolarHBondContact CB-OD1 3.47Å; P530-D532 PolarHBondContact O-N 2.87Å; P530-I533 HydrophobicContact CB-CB 4.31Å; P530-I533 HydrophobicContact CB-CG1 3.93Å; P530-I533 HydrophobicContact CG-CG1 4.3Å; P530-I533 PolarHBondContact O-N 3.2Å; P530-V534 WeakPolarHBondContact O-CB 3.23Å; P530-V534 VanDerWaalsContact O-CG2 3.26Å; P530-V534 WeakPolarHBondContact O-CG2 3.4Å; P530-V534 PolarHBondContact O-N 2.83Å; P530-W562 VanDerWaalsContact CG-NE1 3.34Å
531	V	97	Very high	97	Very high	84 Å²	84	37.5 Å²	37.5	51%	0.509	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-37.4	-170	178.2	0	0	0	0	112.7	I525 T535	I525-V531 HydrophobicContact CD1-CB 4.3Å; I525-V531 HydrophobicContact CD1-CG1 3.94Å; I525-V531 HydrophobicContact CD1-CG2 4.04Å; I525-V531 HydrophobicContact CG1-CG2 4.08Å; I525-V531 HydrophobicContact CG2-CG2 3.95Å; V531-T535 WeakPolarHBondContact O-CB 3.33Å; V531-T535 PolarHBondContact O-N 3.45Å; V531-T535 PolarHBondContact O-OG1 2.81Å
532	D	95.7	Very high	97	Very high	91 Å²	91	38.9 Å²	38.9	49%	0.487	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-54.7	173.6	55.1	-45.1	0	0	0	111.6	P530 V534 T535 A536	P530-D532 VanDerWaalsContact C-N 3.33Å; P530-D532 WeakPolarHBondContact CB-OD1 3.47Å; P530-D532 PolarHBondContact O-N 2.87Å; D532-V534 PolarHBondContact O-N 3.06Å; D532-T535 PolarHBondContact O-N 2.76Å; D532-T535 VanDerWaalsContact O-N 3.15Å; D532-A536 PolarHBondContact O-N 3Å
533	I	97	Very high	97.1	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-48.5	179	-55.9	-58.9	0	0	0	110.7	F389 P530 T535 A536 W537 C558 L559 W562	F389-I533 HydrophobicContact CE1-CG1 4.14Å; F389-I533 HydrophobicContact CE1-CG2 4.46Å; F389-I533 HydrophobicContact CZ-CG1 4.28Å; F389-I533 HydrophobicContact CZ-CG2 4.5Å; P530-I533 HydrophobicContact CB-CB 4.31Å; P530-I533 HydrophobicContact CB-CG1 3.93Å; P530-I533 HydrophobicContact CG-CG1 4.3Å; P530-I533 PolarHBondContact O-N 3.2Å; I533-T535 VanDerWaalsContact C-N 3.3Å; I533-T535 PolarHBondContact O-N 2.95Å; I533-A536 PolarHBondContact O-N 2.87Å; I533-W537 VanDerWaalsContact O-CB 3.29Å; I533-W537 WeakPolarHBondContact O-CB 3.4Å; I533-W537 VanDerWaalsContact O-CD1 3.27Å; I533-W537 PolarHBondContact O-N 2.95Å; I533-C558 HydrophobicContact CD1-CB 3.77Å; I533-C558 WeakPolarHBondContact CD1-O 3.42Å; I533-L559 HydrophobicContact CG2-CD2 4.21Å; I533-W562 HydrophobicContact CD1-CB 4.11Å
534	V	97.4	Very high	97.1	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.03	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-40.1	177	177.2	0	0	0	0	111.1	R521 A524 I525 L529 P530 D532 I538	R521-V534 HydrophobicContact CB-CG1 4.32Å; R521-V534 HydrophobicContact CG-CG1 3.92Å; A524-V534 HydrophobicContact CB-CB 4.37Å; A524-V534 HydrophobicContact CB-CG1 3.59Å; A524-V534 HydrophobicContact CB-CG2 3.72Å; I525-V534 HydrophobicContact CG1-CB 4.24Å; I525-V534 HydrophobicContact CG1-CG1 4.17Å; I525-V534 HydrophobicContact CG1-CG2 4.36Å; L529-V534 HydrophobicContact CB-CG2 3.41Å; L529-V534 VanDerWaalsContact CB-CG2 3.41Å; L529-V534 HydrophobicContact CD1-CG2 4.3Å; L529-V534 HydrophobicContact CG-CG2 4.5Å; P530-V534 WeakPolarHBondContact O-CB 3.23Å; P530-V534 VanDerWaalsContact O-CG2 3.26Å; P530-V534 WeakPolarHBondContact O-CG2 3.4Å; P530-V534 PolarHBondContact O-N 2.83Å; D532-V534 PolarHBondContact O-N 3.06Å; V534-I538 HydrophobicContact CG1-CD1 3.63Å; V534-I538 HydrophobicContact CG1-CG1 4.19Å; V534-I538 WeakPolarHBondContact O-CB 3.09Å; V534-I538 PolarHBondContact O-N 3.29Å
535	T	96.7	Very high	97.1	Very high	47 Å²	47	48 Å²	48	29%	0.288	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-46.9	178.6	-69.8	0	0	0	0	111.6	R521 V531 D532 I533 T539	R521-T535 VanDerWaalsContact NH1-CG2 3.34Å; R521-T535 PolarHBondContact NH1-OG1 3.15Å; R521-T535 VanDerWaalsContact NH1-OG1 3.11Å; V531-T535 WeakPolarHBondContact O-CB 3.33Å; V531-T535 PolarHBondContact O-N 3.45Å; V531-T535 PolarHBondContact O-OG1 2.81Å; D532-T535 PolarHBondContact O-N 2.76Å; D532-T535 VanDerWaalsContact O-N 3.15Å; I533-T535 VanDerWaalsContact C-N 3.3Å; I533-T535 PolarHBondContact O-N 2.95Å; T535-T539 VanDerWaalsContact O-CB 3.22Å; T535-T539 WeakPolarHBondContact O-CB 3.27Å; T535-T539 PolarHBondContact O-N 3.34Å; T535-T539 PolarHBondContact O-OG1 3.47Å
536	A	96.6	Very high	97.1	Very high	33 Å²	33	46.7 Å²	46.7	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-49.1	177	0	0	0	0	0	111.6	D532 I533 H540 M554	D532-A536 PolarHBondContact O-N 3Å; I533-A536 PolarHBondContact O-N 2.87Å; A536-H540 WeakPolarHBondContact O-CB 3.37Å; A536-H540 PolarHBondContact O-N 2.8Å; A536-M554 HydrophobicContact CB-SD 4.24Å
537	W	97.9	Very high	97.1	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-54.2	-176.4	-84	48.9	0	0	0	113.3	I392 I396 V489 F492 I533 H540 L541 L555 L559	I392-W537 HydrophobicContact CG2-CH2 3.47Å; I392-W537 VanDerWaalsContact CG2-CH2 3.47Å; I392-W537 HydrophobicContact CG2-CZ2 4.29Å; I392-W537 HydrophobicContact CG2-CZ3 4.18Å; I396-W537 HydrophobicContact CD1-CH2 3.58Å; I396-W537 HydrophobicContact CD1-CZ2 3.56Å; I396-W537 HydrophobicContact CG1-CH2 4.02Å; I396-W537 HydrophobicContact CG1-CZ2 4.48Å; V489-W537 HydrophobicContact CG2-CE3 3.97Å; V489-W537 HydrophobicContact CG2-CZ3 4.38Å; F492-W537 HydrophobicContact CD1-CZ3 4.33Å; I533-W537 VanDerWaalsContact O-CB 3.29Å; I533-W537 WeakPolarHBondContact O-CB 3.4Å; I533-W537 VanDerWaalsContact O-CD1 3.27Å; I533-W537 PolarHBondContact O-N 2.95Å; W537-H540 PolarHBondContact O-N 2.86Å; W537-L541 WeakPolarHBondContact O-CG 3.19Å; W537-L541 PolarHBondContact O-N 2.84Å; W537-L555 HydrophobicContact CB-CD2 4.21Å; W537-L555 HydrophobicContact CD2-CD2 3.75Å; W537-L555 HydrophobicContact CE3-CD2 4.42Å; W537-L555 HydrophobicContact CG-CD2 3.63Å; W537-L555 HydrophobicContact CZ2-CB 4.04Å; W537-L555 WeakPolarHBondContact CZ2-O 3.46Å; W537-L555 PolarHBondContact NE1-O 2.81Å; W537-L559 HydrophobicContact CH2-CD1 4.4Å; W537-L559 HydrophobicContact CZ2-CD1 3.82Å; W537-L559 HydrophobicContact CZ2-CD2 4.03Å; W537-L559 HydrophobicContact CZ2-CG 3.95Å
538	I	97.6	Very high	97.2	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-71.7	-42.4	-171.9	-67.6	-174.4	0	0	0	110.8	W486 H520 A524 V534 H540 L541 E542	W486-I538 HydrophobicContact CH2-CG2 4.1Å; H520-I538 HydrophobicContact CB-CD1 3.93Å; H520-I538 WeakPolarHBondContact O-CD1 3.21Å; A524-I538 HydrophobicContact CB-CD1 4.21Å; V534-I538 HydrophobicContact CG1-CD1 3.63Å; V534-I538 HydrophobicContact CG1-CG1 4.19Å; V534-I538 WeakPolarHBondContact O-CB 3.09Å; V534-I538 PolarHBondContact O-N 3.29Å; I538-H540 PolarHBondContact O-N 3.36Å; I538-L541 PolarHBondContact O-N 3.47Å; I538-L541 VanDerWaalsContact O-N 3.1Å; I538-E542 VanDerWaalsContact CG2-CD 3.44Å; I538-E542 HydrophobicContact CG2-CG 4.03Å; I538-E542 VanDerWaalsContact CG2-OE1 3.3Å; I538-E542 WeakPolarHBondContact CG2-OE1 3.43Å; I538-E542 WeakPolarHBondContact O-CB 3.44Å; I538-E542 VanDerWaalsContact O-CG 3.28Å; I538-E542 WeakPolarHBondContact O-CG 3Å; I538-E542 PolarHBondContact O-N 2.74Å
539	T	97.1	Very high	97.2	Very high	42 Å²	42	49.1 Å²	49.1	26%	0.258	26%	0.261	S	S	.	.	H	α-helix	trans	-56.7	-40.1	175.4	-47.7	0	0	0	0	111.1	R521 T535 Q543	R521-T539 PolarHBondContact NH2-OG1 3.38Å; T535-T539 VanDerWaalsContact O-CB 3.22Å; T535-T539 WeakPolarHBondContact O-CB 3.27Å; T535-T539 PolarHBondContact O-N 3.34Å; T535-T539 PolarHBondContact O-OG1 3.47Å; T539-Q543 WeakPolarHBondContact O-CG 3.23Å; T539-Q543 PolarHBondContact O-N 3.03Å
540	H	98.2	Very high	97.3	Very high	29 Å²	29	48.9 Å²	48.9	13%	0.134	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-46.4	176.4	-179	53.7	0	0	0	112.4	A536 W537 I538 E542 Q543 L544 N551 M554	A536-H540 WeakPolarHBondContact O-CB 3.37Å; A536-H540 PolarHBondContact O-N 2.8Å; W537-H540 PolarHBondContact O-N 2.86Å; I538-H540 PolarHBondContact O-N 3.36Å; H540-E542 VanDerWaalsContact C-N 3.32Å; H540-E542 PolarHBondContact O-N 3.08Å; H540-Q543 PolarHBondContact O-N 2.93Å; H540-L544 WeakPolarHBondContact O-CG 3.17Å; H540-L544 PolarHBondContact O-N 3.05Å; H540-N551 PolarHBondContact NE2-N 3.41Å; H540-M554 HydrophobicContact CB-CE 3.58Å
541	L	98.2	Very high	97.3	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-25.8	-179.3	-65.3	-175.8	0	0	0	114	L485 W486 V489 W537 I538 L544	L485-L541 HydrophobicContact CB-CD1 4.17Å; L485-L541 HydrophobicContact CB-CD2 3.71Å; L485-L541 HydrophobicContact CD1-CD2 3.94Å; W486-L541 HydrophobicContact CD2-CB 4.42Å; W486-L541 HydrophobicContact CD2-CD1 4.33Å; W486-L541 HydrophobicContact CG-CD1 4.46Å; W486-L541 HydrophobicContact CZ2-CB 4Å; W486-L541 PolarHBondContact NE1-O 3.12Å; V489-L541 HydrophobicContact CG2-CD1 3.6Å; W537-L541 WeakPolarHBondContact O-CG 3.19Å; W537-L541 PolarHBondContact O-N 2.84Å; I538-L541 PolarHBondContact O-N 3.47Å; I538-L541 VanDerWaalsContact O-N 3.1Å; L541-L544 HydrophobicContact CD2-CD1 3.83Å
542	E	97	Very high	97.4	Very high	110 Å²	110	48 Å²	48	51%	0.514	25%	0.25	S	S	.	.	H	α-helix	trans	-71.6	-30.7	171.9	-72	170	159	0	0	112.1	W486 I538 H540	W486-E542 HydrophobicContact CH2-CG 4.23Å; W486-E542 HydrophobicContact CZ2-CG 3.91Å; I538-E542 VanDerWaalsContact CG2-CD 3.44Å; I538-E542 HydrophobicContact CG2-CG 4.03Å; I538-E542 VanDerWaalsContact CG2-OE1 3.3Å; I538-E542 WeakPolarHBondContact CG2-OE1 3.43Å; I538-E542 WeakPolarHBondContact O-CB 3.44Å; I538-E542 VanDerWaalsContact O-CG 3.28Å; I538-E542 WeakPolarHBondContact O-CG 3Å; I538-E542 PolarHBondContact O-N 2.74Å; H540-E542 VanDerWaalsContact C-N 3.32Å; H540-E542 PolarHBondContact O-N 3.08Å
543	Q	97.1	Very high	97.5	Very high	142 Å²	142	48.7 Å²	48.7	66%	0.664	25%	0.254	S	S	*	.	H	α-helix	trans	-83.8	-11.4	179.2	-72.1	170.8	-5.4	0	0	114.6	T539 H540	T539-Q543 WeakPolarHBondContact O-CG 3.23Å; T539-Q543 PolarHBondContact O-N 3.03Å; H540-Q543 PolarHBondContact O-N 2.93Å
544	L	98.1	Very high	97.6	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.063	26%	0.263	C	S	.	.			trans	-80.8	123.5	-177.2	-72.7	172.8	0	0	0	112.5	R482 H540 L541 P550	R482-L544 HydrophobicContact CB-CB 3.89Å; R482-L544 HydrophobicContact CB-CD1 3.9Å; R482-L544 WeakPolarHBondContact CD-O 3.38Å; R482-L544 PolarHBondContact NH1-O 3.15Å; H540-L544 WeakPolarHBondContact O-CG 3.17Å; H540-L544 PolarHBondContact O-N 3.05Å; L541-L544 HydrophobicContact CD2-CD1 3.83Å; L544-P550 HydrophobicContact CD1-CB 3.88Å; L544-P550 HydrophobicContact CD1-CG 3.92Å
545	E	96.9	Very high	97.6	Very high	139 Å²	139	50.3 Å²	50.3	65%	0.65	26%	0.262	S	S	*	.			trans	-80.4	177.5	167.8	-54.9	-171.4	163.5	0	0	112.3	S548	E545-S548 WeakPolarHBondContact CA-OG 3.41Å; E545-S548 WeakPolarHBondContact CB-OG 3.26Å; E545-S548 PolarHBondContact N-OG 3Å; E545-S548 PolarHBondContact O-N 3.39Å
546	Y	97.4	Very high	97.6	Very high	30 Å²	30	49.4 Å²	49.4	12%	0.118	26%	0.255	C	S	.	.	S	Bend	trans	-62.5	-41.3	178.4	174.5	-86.6	0	0	0	113.3	V453 R454 A456 D478 L479 A480	V453-Y546 HydrophobicContact CG1-CD1 4.43Å; V453-Y546 HydrophobicContact CG1-CE1 3.89Å; R454-Y546 VanDerWaalsContact O-CE1 3.27Å; R454-Y546 WeakPolarHBondContact O-CE1 3.29Å; R454-Y546 PolarHBondContact O-OH 2.79Å; A456-Y546 HydrophobicContact CB-CD1 3.95Å; A456-Y546 HydrophobicContact CB-CD2 4.04Å; A456-Y546 HydrophobicContact CB-CE1 3.79Å; A456-Y546 HydrophobicContact CB-CE2 3.89Å; A456-Y546 HydrophobicContact CB-CG 4.08Å; D478-Y546 HydrophobicContact CB-CE2 3.89Å; D478-Y546 VanDerWaalsContact O-CD2 3.32Å; D478-Y546 WeakPolarHBondContact O-CD2 3.4Å; D478-Y546 WeakPolarHBondContact O-CE2 3.12Å; L479-Y546 WeakPolarHBondContact O-CE2 3.31Å; A480-Y546 HydrophobicContact CB-CD2 3.72Å; A480-Y546 HydrophobicContact CB-CE2 4.22Å; A480-Y546 HydrophobicContact CB-CG 4.15Å; A480-Y546 WeakPolarHBondContact CB-O 3.2Å
547	K	96.9	Very high	97.7	Very high	82 Å²	82	51 Å²	51	36%	0.357	26%	0.262	S	S	.	.	S	Bend	trans	-84	-11	177.1	-68	-158.1	175.7	-174.5	0	113.6	E452 V453 N455 R481	E452-K547 IonicContact OE1-NZ 2.67Å; E452-K547 PolarHBondContact OE1-NZ 2.94Å; V453-K547 HydrophobicContact CB-CB 4.41Å; V453-K547 HydrophobicContact CB-CD 4.14Å; V453-K547 HydrophobicContact CB-CG 4Å; V453-K547 HydrophobicContact CG1-CB 4.43Å; V453-K547 HydrophobicContact CG1-CD 4.44Å; V453-K547 HydrophobicContact CG1-CG 3.87Å; V453-K547 WeakPolarHBondContact O-CE 3.3Å; V453-K547 PolarHBondContact O-NZ 2.88Å; N455-K547 WeakPolarHBondContact OD1-CE 3.21Å; N455-K547 PolarHBondContact OD1-NZ 3.31Å; R481-K547 PolarHBondContact NH2-O 2.95Å
548	S	97.2	Very high	97.7	Very high	36 Å²	36	51.6 Å²	51.6	25%	0.252	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-63	151.2	-175.8	-54.9	0	0	0	0	113.9	R481 E545	R481-S548 PolarHBondContact NE-O 3.17Å; R481-S548 VanDerWaalsContact NE-O 3.11Å; R481-S548 VanDerWaalsContact NH2-C 3.27Å; R481-S548 PolarHBondContact NH2-O 3.04Å; E545-S548 WeakPolarHBondContact CA-OG 3.41Å; E545-S548 WeakPolarHBondContact CB-OG 3.26Å; E545-S548 PolarHBondContact N-OG 3Å; E545-S548 PolarHBondContact O-N 3.39Å
549	V	97.4	Very high	97.7	Very high	98 Å²	98	51.5 Å²	51.5	59%	0.594	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-97.2	121.7	172.2	-173.7	0	0	0	0	108.3	Y552	V549-Y552 HydrophobicContact CG1-CE2 4.42Å
550	P	98.4	Very high	97.7	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.026	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-63.1	143.6	172.1	-18.2	29	0	0	0	112.1	R481 L485 L544 Y552	R481-P550 HydrophobicContact CB-CG 3.69Å; L485-P550 HydrophobicContact CD1-CB 3.42Å; L485-P550 VanDerWaalsContact CD1-CB 3.42Å; L485-P550 HydrophobicContact CD1-CG 3.62Å; L544-P550 HydrophobicContact CD1-CB 3.88Å; L544-P550 HydrophobicContact CD1-CG 3.92Å; P550-Y552 VanDerWaalsContact C-N 3.28Å; P550-Y552 HydrophobicContact CB-CD1 4.38Å; P550-Y552 HydrophobicContact CB-CD2 4.47Å; P550-Y552 HydrophobicContact CB-CE1 4Å; P550-Y552 HydrophobicContact CB-CE2 4.11Å; P550-Y552 WeakPolarHBondContact CD-OH 3.2Å; P550-Y552 HydrophobicContact CG-CE1 4.13Å; P550-Y552 HydrophobicContact CG-CE2 4.3Å; P550-Y552 WeakPolarHBondContact O-CD2 3.42Å; P550-Y552 VanDerWaalsContact O-CE2 3.24Å; P550-Y552 WeakPolarHBondContact O-CE2 3.28Å; P550-Y552 PolarHBondContact O-N 3.39Å
551	N	98.2	Very high	97.6	Very high	80 Å²	80	55.6 Å²	55.6	43%	0.428	28%	0.283	S	S	.	.			trans	-83.7	72.8	172.3	-171.3	-8.5	0	0	0	110.1	H540 N553 M554 L555	H540-N551 PolarHBondContact NE2-N 3.41Å; N551-N553 PolarHBondContact O-N 2.9Å; N551-N553 VanDerWaalsContact O-N 3.16Å; N551-M554 HydrophobicContact CB-CB 4.21Å; N551-M554 WeakPolarHBondContact ND2-CB 3.34Å; N551-M554 PolarHBondContact O-N 2.82Å; N551-M554 PolarHBondContact OD1-N 3.25Å; N551-M554 VanDerWaalsContact OD1-N 3.08Å; N551-L555 PolarHBondContact O-N 2.96Å
552	Y	98.5	Very high	97.6	Very high	9 Å²	9	56.2 Å²	56.2	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-54.7	-32.3	178.7	-50.7	-86.5	0	0	0	113	I396 K400 H403 L485 V549 P550 L555 I556	I396-Y552 HydrophobicContact CG2-CD1 4.06Å; K400-Y552 HydrophobicContact CB-CD1 3.9Å; K400-Y552 HydrophobicContact CB-CD2 4.46Å; K400-Y552 HydrophobicContact CB-CE1 4.25Å; K400-Y552 HydrophobicContact CB-CG 4.02Å; K400-Y552 HydrophobicContact CD-CD2 4.12Å; K400-Y552 HydrophobicContact CD-CG 4.05Å; K400-Y552 HydrophobicContact CG-CD1 4.1Å; K400-Y552 HydrophobicContact CG-CD2 3.75Å; K400-Y552 HydrophobicContact CG-CE1 4.44Å; K400-Y552 HydrophobicContact CG-CE2 4.11Å; K400-Y552 HydrophobicContact CG-CG 3.74Å; H403-Y552 WeakPolarHBondContact CB-OH 3.43Å; H403-Y552 AromaticContact ND1-CE1 3.74Å; H403-Y552 AromaticContact ND1-CZ 3.68Å; H403-Y552 PolarHBondContact ND1-OH 3.04Å; L485-Y552 HydrophobicContact CD1-CD1 4.43Å; L485-Y552 HydrophobicContact CD1-CE1 4.08Å; L485-Y552 HydrophobicContact CD2-CE1 4.48Å; V549-Y552 HydrophobicContact CG1-CE2 4.42Å; P550-Y552 VanDerWaalsContact C-N 3.28Å; P550-Y552 HydrophobicContact CB-CD1 4.38Å; P550-Y552 HydrophobicContact CB-CD2 4.47Å; P550-Y552 HydrophobicContact CB-CE1 4Å; P550-Y552 HydrophobicContact CB-CE2 4.11Å; P550-Y552 WeakPolarHBondContact CD-OH 3.2Å; P550-Y552 HydrophobicContact CG-CE1 4.13Å; P550-Y552 HydrophobicContact CG-CE2 4.3Å; P550-Y552 WeakPolarHBondContact O-CD2 3.42Å; P550-Y552 VanDerWaalsContact O-CE2 3.24Å; P550-Y552 WeakPolarHBondContact O-CE2 3.28Å; P550-Y552 PolarHBondContact O-N 3.39Å; Y552-L555 PolarHBondContact O-N 3.14Å; Y552-I556 WeakPolarHBondContact O-CG1 3.17Å; Y552-I556 PolarHBondContact O-N 3.04Å
553	N	97.9	Very high	97.6	Very high	106 Å²	106	51.3 Å²	51.3	57%	0.567	26%	0.263	S	S	*	.	H	α-helix	trans	-65.3	-50.4	-179.8	-66.7	14.6	0	0	0	110.1	N551 L555 I556 T557	N551-N553 PolarHBondContact O-N 2.9Å; N551-N553 VanDerWaalsContact O-N 3.16Å; N553-L555 VanDerWaalsContact C-N 3.32Å; N553-L555 PolarHBondContact O-N 2.98Å; N553-I556 PolarHBondContact O-N 2.86Å; N553-T557 WeakPolarHBondContact O-CB 3.47Å; N553-T557 PolarHBondContact O-N 2.91Å; N553-T557 PolarHBondContact O-OG1 2.92Å; N553-T557 VanDerWaalsContact O-OG1 3.05Å
554	M	97.9	Very high	97.6	Very high	45 Å²	45	50.7 Å²	50.7	22%	0.222	26%	0.262	C	S	.	.	H	α-helix	trans	-56.9	-45.2	174.1	175.5	-81.2	-66.1	0	0	111.8	A536 H540 N551 I556 T557 C558	A536-M554 HydrophobicContact CB-SD 4.24Å; H540-M554 HydrophobicContact CB-CE 3.58Å; N551-M554 HydrophobicContact CB-CB 4.21Å; N551-M554 WeakPolarHBondContact ND2-CB 3.34Å; N551-M554 PolarHBondContact O-N 2.82Å; N551-M554 PolarHBondContact OD1-N 3.25Å; N551-M554 VanDerWaalsContact OD1-N 3.08Å; M554-I556 VanDerWaalsContact C-N 3.28Å; M554-I556 PolarHBondContact O-N 2.89Å; M554-T557 PolarHBondContact O-N 2.76Å; M554-C558 PolarHBondContact O-N 3.4Å; M554-C558 PolarHBondContact O-SG 3.2Å; M554-C558 VanDerWaalsContact O-SG 3.34Å
555	L	98.2	Very high	97.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-37	179.1	-63.4	175.2	0	0	0	112.4	I396 L485 W537 N551 Y552 N553	I396-L555 HydrophobicContact CD1-CB 4.25Å; L485-L555 HydrophobicContact CD1-CD1 4.01Å; W537-L555 HydrophobicContact CB-CD2 4.21Å; W537-L555 HydrophobicContact CD2-CD2 3.75Å; W537-L555 HydrophobicContact CE3-CD2 4.42Å; W537-L555 HydrophobicContact CG-CD2 3.63Å; W537-L555 HydrophobicContact CZ2-CB 4.04Å; W537-L555 WeakPolarHBondContact CZ2-O 3.46Å; W537-L555 PolarHBondContact NE1-O 2.81Å; N551-L555 PolarHBondContact O-N 2.96Å; Y552-L555 PolarHBondContact O-N 3.14Å; N553-L555 VanDerWaalsContact C-N 3.32Å; N553-L555 PolarHBondContact O-N 2.98Å
556	I	97.9	Very high	97.6	Very high	28 Å²	28	53.3 Å²	53.3	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-74.3	-46.9	174.7	-71.1	165.9	0	0	0	111.2	K393 I396 Y552 N553 M554 C558 L559 D560	K393-I556 HydrophobicContact CG-CG2 4.24Å; I396-I556 HydrophobicContact CB-CD1 4.28Å; I396-I556 HydrophobicContact CB-CG1 4.08Å; I396-I556 HydrophobicContact CD1-CG1 3.77Å; I396-I556 HydrophobicContact CG2-CD1 3.9Å; I396-I556 HydrophobicContact CG2-CG1 3.88Å; Y552-I556 WeakPolarHBondContact O-CG1 3.17Å; Y552-I556 PolarHBondContact O-N 3.04Å; N553-I556 PolarHBondContact O-N 2.86Å; M554-I556 VanDerWaalsContact C-N 3.28Å; M554-I556 PolarHBondContact O-N 2.89Å; I556-C558 VanDerWaalsContact C-N 3.3Å; I556-C558 PolarHBondContact O-N 2.96Å; I556-L559 WeakPolarHBondContact O-CA 3.3Å; I556-L559 WeakPolarHBondContact O-CB 3.23Å; I556-L559 PolarHBondContact O-N 2.88Å; I556-D560 PolarHBondContact O-N 2.68Å
557	T	97.7	Very high	97.6	Very high	67 Å²	67	60 Å²	60	41%	0.411	30%	0.304	S	S	.	.	H	α-helix	trans	-56.4	-42.6	-178.6	-65.7	0	0	0	0	111.8	N553 M554 L559 D560 E561	N553-T557 WeakPolarHBondContact O-CB 3.47Å; N553-T557 PolarHBondContact O-N 2.91Å; N553-T557 PolarHBondContact O-OG1 2.92Å; N553-T557 VanDerWaalsContact O-OG1 3.05Å; M554-T557 PolarHBondContact O-N 2.76Å; T557-L559 VanDerWaalsContact C-N 3.3Å; T557-L559 PolarHBondContact O-N 3.4Å; T557-D560 PolarHBondContact O-N 2.97Å; T557-D560 VanDerWaalsContact O-N 3.1Å; T557-E561 HydrophobicContact CG2-CG 4.17Å; T557-E561 WeakPolarHBondContact O-CB 3.32Å; T557-E561 VanDerWaalsContact O-CG 3.31Å; T557-E561 WeakPolarHBondContact O-CG 3.43Å; T557-E561 PolarHBondContact O-N 3.23Å
558	C	97.4	Very high	97.5	Very high	18 Å²	18	58 Å²	58	12%	0.122	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-35.2	175.8	-63.9	0	0	0	0	112.9	I533 M554 I556 W562	I533-C558 HydrophobicContact CD1-CB 3.77Å; I533-C558 WeakPolarHBondContact CD1-O 3.42Å; M554-C558 PolarHBondContact O-N 3.4Å; M554-C558 PolarHBondContact O-SG 3.2Å; M554-C558 VanDerWaalsContact O-SG 3.34Å; I556-C558 VanDerWaalsContact C-N 3.3Å; I556-C558 PolarHBondContact O-N 2.96Å; C558-W562 WeakPolarHBondContact O-CB 3.5Å; C558-W562 PolarHBondContact O-N 2.86Å
559	L	97.7	Very high	97.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.3	-38.4	174.1	-59.5	178.1	0	0	0	111.4	F389 I392 K393 I396 F492 I533 W537 I556 T557 W562 L563	F389-L559 HydrophobicContact CD1-CB 4.13Å; F389-L559 HydrophobicContact CD1-CD2 3.43Å; F389-L559 VanDerWaalsContact CD1-CD2 3.43Å; F389-L559 HydrophobicContact CD1-CG 4.36Å; F389-L559 HydrophobicContact CE1-CD2 3.62Å; F389-L559 HydrophobicContact CG-CD2 4.13Å; F389-L559 HydrophobicContact CZ-CD2 4.46Å; I392-L559 HydrophobicContact CG2-CD1 4.08Å; K393-L559 HydrophobicContact CB-CD1 3.96Å; I396-L559 HydrophobicContact CD1-CD1 3.8Å; F492-L559 HydrophobicContact CE1-CD2 3.92Å; F492-L559 HydrophobicContact CZ-CD2 3.98Å; I533-L559 HydrophobicContact CG2-CD2 4.21Å; W537-L559 HydrophobicContact CH2-CD1 4.4Å; W537-L559 HydrophobicContact CZ2-CD1 3.82Å; W537-L559 HydrophobicContact CZ2-CD2 4.03Å; W537-L559 HydrophobicContact CZ2-CG 3.95Å; I556-L559 WeakPolarHBondContact O-CA 3.3Å; I556-L559 WeakPolarHBondContact O-CB 3.23Å; I556-L559 PolarHBondContact O-N 2.88Å; T557-L559 VanDerWaalsContact C-N 3.3Å; T557-L559 PolarHBondContact O-N 3.4Å; L559-W562 PolarHBondContact O-N 3.33Å; L559-L563 WeakPolarHBondContact O-CB 3.09Å; L559-L563 VanDerWaalsContact O-CG 3.25Å; L559-L563 WeakPolarHBondContact O-CG 3.03Å; L559-L563 PolarHBondContact O-N 2.78Å
560	D	97.2	Very high	96.9	Very high	43 Å²	43	59 Å²	59	23%	0.23	29%	0.291	C	S	.	.	H	α-helix	trans	-69.6	-43.1	-179.4	-72.9	-7.5	0	0	0	112	K393 I556 T557 W562 L563 I564	K393-D560 VanDerWaalsContact CD-OD1 3.26Å; K393-D560 WeakPolarHBondContact CD-OD1 3.27Å; K393-D560 WeakPolarHBondContact CE-OD1 3.41Å; K393-D560 WeakPolarHBondContact CE-OD2 3.39Å; K393-D560 IonicContact NZ-OD1 2.69Å; K393-D560 PolarHBondContact NZ-OD1 3.32Å; K393-D560 IonicContact NZ-OD2 2.68Å; K393-D560 PolarHBondContact NZ-OD2 2.84Å; I556-D560 PolarHBondContact O-N 2.68Å; T557-D560 PolarHBondContact O-N 2.97Å; T557-D560 VanDerWaalsContact O-N 3.1Å; D560-W562 VanDerWaalsContact C-N 3.3Å; D560-W562 PolarHBondContact O-N 3.01Å; D560-L563 PolarHBondContact O-N 2.05Å; D560-I564 WeakPolarHBondContact O-CB 3.36Å; D560-I564 WeakPolarHBondContact O-CD1 3.48Å; D560-I564 WeakPolarHBondContact O-CG1 3.33Å; D560-I564 PolarHBondContact O-N 3.24Å
561	E	97.2	Very high	96.5	Very high	115 Å²	115	62.4 Å²	62.4	54%	0.537	32%	0.315	S	S	.	.	H	α-helix	trans	-56.5	-45	171.8	-72.2	168.5	160.3	0	0	111.1	T557 Q565	T557-E561 HydrophobicContact CG2-CG 4.17Å; T557-E561 WeakPolarHBondContact O-CB 3.32Å; T557-E561 VanDerWaalsContact O-CG 3.31Å; T557-E561 WeakPolarHBondContact O-CG 3.43Å; T557-E561 PolarHBondContact O-N 3.23Å; E561-Q565 VanDerWaalsContact O-CB 3.32Å; E561-Q565 WeakPolarHBondContact O-CB 3.39Å; E561-Q565 PolarHBondContact O-N 2.79Å
562	W	97.5	Very high	96.2	Very high	16 Å²	16	61.5 Å²	61.5	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-45.2	177.4	-171.2	89.4	0	0	0	112.8	L385 F389 P530 I533 C558 L559 D560 Q565 H566 I568	L385-W562 HydrophobicContact CB-CH2 3.49Å; L385-W562 VanDerWaalsContact CB-CH2 3.49Å; L385-W562 HydrophobicContact CB-CZ2 4.14Å; L385-W562 HydrophobicContact CB-CZ3 4.19Å; L385-W562 HydrophobicContact CD1-CH2 4.1Å; L385-W562 HydrophobicContact CD1-CZ2 3.91Å; L385-W562 HydrophobicContact CG-CH2 4.43Å; F389-W562 HydrophobicContact CB-CE3 4.39Å; F389-W562 HydrophobicContact CB-CZ3 4.47Å; F389-W562 HydrophobicContact CD1-CB 4.14Å; F389-W562 AromaticContact CD1-CD2 3.76Å; F389-W562 HydrophobicContact CD1-CD2 3.76Å; F389-W562 AromaticContact CD1-CE3 3.32Å; F389-W562 HydrophobicContact CD1-CE3 3.32Å; F389-W562 HydrophobicContact CD1-CG 4.1Å; F389-W562 HydrophobicContact CD1-CZ3 4.07Å; F389-W562 HydrophobicContact CD2-CE3 4.09Å; F389-W562 HydrophobicContact CD2-CZ3 4.05Å; F389-W562 HydrophobicContact CE1-CB 3.68Å; F389-W562 AromaticContact CE1-CD2 3.37Å; F389-W562 HydrophobicContact CE1-CD2 3.37Å; F389-W562 AromaticContact CE1-CE3 3.48Å; F389-W562 HydrophobicContact CE1-CE3 3.48Å; F389-W562 VanDerWaalsContact CE1-CE3 3.48Å; F389-W562 AromaticContact CE1-CG 3.44Å; F389-W562 HydrophobicContact CE1-CG 3.44Å; F389-W562 VanDerWaalsContact CE1-CG 3.44Å; F389-W562 HydrophobicContact CE1-CZ3 4.35Å; F389-W562 HydrophobicContact CE2-CD2 4.31Å; F389-W562 HydrophobicContact CE2-CE3 4.2Å; F389-W562 HydrophobicContact CE2-CZ3 4.31Å; F389-W562 HydrophobicContact CG-CD2 4.4Å; F389-W562 AromaticContact CG-CE3 3.67Å; F389-W562 HydrophobicContact CG-CE3 3.67Å; F389-W562 AromaticContact CG-CZ3 3.93Å; F389-W562 HydrophobicContact CG-CZ3 3.93Å; F389-W562 AromaticContact CZ-CD2 3.69Å; F389-W562 HydrophobicContact CZ-CD2 3.69Å; F389-W562 AromaticContact CZ-CE3 3.92Å; F389-W562 HydrophobicContact CZ-CE3 3.92Å; F389-W562 AromaticContact CZ-CG 3.98Å; F389-W562 HydrophobicContact CZ-CG 3.98Å; F389-W562 HydrophobicContact CZ-CZ3 4.46Å; P530-W562 VanDerWaalsContact CG-NE1 3.34Å; I533-W562 HydrophobicContact CD1-CB 4.11Å; C558-W562 WeakPolarHBondContact O-CB 3.5Å; C558-W562 PolarHBondContact O-N 2.86Å; L559-W562 PolarHBondContact O-N 3.33Å; D560-W562 VanDerWaalsContact C-N 3.3Å; D560-W562 PolarHBondContact O-N 3.01Å; W562-Q565 PolarHBondContact O-N 3.32Å; W562-H566 AromaticContact CD1-CE1 3.54Å; W562-H566 AromaticContact CD1-ND1 3.76Å; W562-H566 AromaticContact CD2-ND1 3.58Å; W562-H566 AromaticContact CE2-CE1 3.38Å; W562-H566 AromaticContact CE2-CG 3.84Å; W562-H566 AromaticContact CE2-ND1 3.32Å; W562-H566 VanDerWaalsContact CE2-ND1 3.32Å; W562-H566 AromaticContact CE2-NE2 3.88Å; W562-H566 AromaticContact CG-ND1 3.83Å; W562-H566 HydrophobicContact CH2-CB 4.33Å; W562-H566 HydrophobicContact CZ2-CB 4.49Å; W562-H566 AromaticContact CZ2-CD2 3.82Å; W562-H566 AromaticContact CZ2-CE1 3.83Å; W562-H566 AromaticContact CZ2-CG 3.73Å; W562-H566 AromaticContact CZ2-ND1 3.72Å; W562-H566 AromaticContact CZ2-NE2 3.88Å; W562-H566 HydrophobicContact CZ3-CB 4.48Å; W562-H566 AromaticContact NE1-CE1 3.07Å; W562-H566 PolarHBondContact NE1-CE1 3.44Å; W562-H566 AromaticContact NE1-ND1 3.45Å; W562-H566 PolarHBondContact NE1-ND1 3.18Å; W562-H566 AromaticContact NE1-NE2 3.73Å; W562-H566 PolarHBondContact O-N 3.26Å; W562-H566 PolarHBondContact O-ND1 3.16Å; W562-I568 HydrophobicContact CH2-CD1 4.01Å; W562-I568 HydrophobicContact CZ3-CD1 3.74Å
563	L	97.2	Very high	95.9	Very high	7 Å²	7	67.1 Å²	67.1	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-45.2	177.6	-74.2	167	0	0	0	111.2	F389 R390 L559 D560 H566 K567 I568	F389-L563 HydrophobicContact CB-CD1 4.44Å; F389-L563 HydrophobicContact CB-CD2 3.95Å; F389-L563 HydrophobicContact CB-CG 4.23Å; R390-L563 HydrophobicContact CG-CD1 3.88Å; R390-L563 HydrophobicContact CG-CD2 3.99Å; L559-L563 WeakPolarHBondContact O-CB 3.09Å; L559-L563 VanDerWaalsContact O-CG 3.25Å; L559-L563 WeakPolarHBondContact O-CG 3.03Å; L559-L563 PolarHBondContact O-N 2.78Å; D560-L563 PolarHBondContact O-N 2.05Å; L563-H566 CarbonylContact O-C 3.46Å; L563-H566 PolarHBondContact O-N 3.06Å; L563-K567 PolarHBondContact O-N 3.49Å; L563-I568 HydrophobicContact CD2-CB 3.83Å; L563-I568 HydrophobicContact CD2-CD1 4.41Å; L563-I568 HydrophobicContact CD2-CG2 3.68Å; L563-I568 PolarHBondContact O-N 3.13Å
564	I	97.1	Very high	95.7	Very high	128 Å²	128	62.4 Å²	62.4	66%	0.656	31%	0.309	S	S	*	.	H	α-helix	trans	-61.2	-46.9	176.1	-69.1	165.4	0	0	0	110.7	D560 H566 K567	D560-I564 WeakPolarHBondContact O-CB 3.36Å; D560-I564 WeakPolarHBondContact O-CD1 3.48Å; D560-I564 WeakPolarHBondContact O-CG1 3.33Å; D560-I564 PolarHBondContact O-N 3.24Å; I564-H566 VanDerWaalsContact C-N 3.28Å; I564-H566 PolarHBondContact O-N 2.98Å; I564-K567 PolarHBondContact O-N 3.4Å
565	Q	97.1	Very high	95.6	Very high	137 Å²	137	61.3 Å²	61.3	64%	0.64	30%	0.304	S	S	*	.	H	α-helix	trans	-59.3	-39.1	178.8	-174.6	-177	19.9	0	0	112.3	E561 W562 K567	E561-Q565 VanDerWaalsContact O-CB 3.32Å; E561-Q565 WeakPolarHBondContact O-CB 3.39Å; E561-Q565 PolarHBondContact O-N 2.79Å; W562-Q565 PolarHBondContact O-N 3.32Å; Q565-K567 VanDerWaalsContact C-N 3.29Å
566	H	97.1	Very high	95.3	Very high	69 Å²	69	64.1 Å²	64.1	32%	0.319	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.9	179.2	-62.9	75.7	0	0	0	113.1	W562 L563 I564 I568	W562-H566 AromaticContact CD1-CE1 3.54Å; W562-H566 AromaticContact CD1-ND1 3.76Å; W562-H566 AromaticContact CD2-ND1 3.58Å; W562-H566 AromaticContact CE2-CE1 3.38Å; W562-H566 AromaticContact CE2-CG 3.84Å; W562-H566 AromaticContact CE2-ND1 3.32Å; W562-H566 VanDerWaalsContact CE2-ND1 3.32Å; W562-H566 AromaticContact CE2-NE2 3.88Å; W562-H566 AromaticContact CG-ND1 3.83Å; W562-H566 HydrophobicContact CH2-CB 4.33Å; W562-H566 HydrophobicContact CZ2-CB 4.49Å; W562-H566 AromaticContact CZ2-CD2 3.82Å; W562-H566 AromaticContact CZ2-CE1 3.83Å; W562-H566 AromaticContact CZ2-CG 3.73Å; W562-H566 AromaticContact CZ2-ND1 3.72Å; W562-H566 AromaticContact CZ2-NE2 3.88Å; W562-H566 HydrophobicContact CZ3-CB 4.48Å; W562-H566 AromaticContact NE1-CE1 3.07Å; W562-H566 PolarHBondContact NE1-CE1 3.44Å; W562-H566 AromaticContact NE1-ND1 3.45Å; W562-H566 PolarHBondContact NE1-ND1 3.18Å; W562-H566 AromaticContact NE1-NE2 3.73Å; W562-H566 PolarHBondContact O-N 3.26Å; W562-H566 PolarHBondContact O-ND1 3.16Å; L563-H566 CarbonylContact O-C 3.46Å; L563-H566 PolarHBondContact O-N 3.06Å; I564-H566 VanDerWaalsContact C-N 3.28Å; I564-H566 PolarHBondContact O-N 2.98Å; H566-I568 HydrophobicContact CB-CD1 4.03Å; H566-I568 HydrophobicContact CB-CG1 4.16Å; H566-I568 PolarHBondContact O-N 3.23Å
567	K	96.9	Very high	95	Very high	171 Å²	171	65.3 Å²	65.3	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	16.1	178.9	-52.7	178.3	-177.7	176.1	0	115.2	L563 I564 Q565 Q569	L563-K567 PolarHBondContact O-N 3.49Å; I564-K567 PolarHBondContact O-N 3.4Å; Q565-K567 VanDerWaalsContact C-N 3.29Å; K567-Q569 PolarHBondContact O-NE2 2.55Å
568	I	95.5	Very high	94.4	Very high	39 Å²	39	66.8 Å²	66.8	20%	0.2	32%	0.324	C	S	.	.			trans	-78.3	124	-177.4	-60	173.7	0	0	0	108.8	W562 L563 H566 D572	W562-I568 HydrophobicContact CH2-CD1 4.01Å; W562-I568 HydrophobicContact CZ3-CD1 3.74Å; L563-I568 HydrophobicContact CD2-CB 3.83Å; L563-I568 HydrophobicContact CD2-CD1 4.41Å; L563-I568 HydrophobicContact CD2-CG2 3.68Å; L563-I568 PolarHBondContact O-N 3.13Å; H566-I568 HydrophobicContact CB-CD1 4.03Å; H566-I568 HydrophobicContact CB-CG1 4.16Å; H566-I568 PolarHBondContact O-N 3.23Å; I568-D572 WeakPolarHBondContact CA-OD2 3.34Å; I568-D572 WeakPolarHBondContact CG2-OD2 3.48Å
569	Q	93.1	Very high	93	Very high	100 Å²	100	70.4 Å²	70.4	47%	0.467	35%	0.348	S	S	.	.			trans	-92.5	152	-178.4	-51.7	-56.1	-54.7	0	0	111.6	K567 S571 D572	K567-Q569 PolarHBondContact O-NE2 2.55Å; Q569-S571 WeakPolarHBondContact CB-OG 3.12Å; Q569-S571 PolarHBondContact O-N 3.17Å; Q569-S571 VanDerWaalsContact O-N 3.12Å; Q569-D572 WeakPolarHBondContact CB-OD1 3.34Å; Q569-D572 PolarHBondContact N-OD2 3.2Å; Q569-D572 WeakPolarHBondContact O-CB 3.18Å; Q569-D572 PolarHBondContact O-N 3.32Å
570	E	89.8	Confident	91.1	Very high	56 Å²	56	80.1 Å²	80.1	26%	0.262	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.6	171.5	-67.5	-81	-143.3	0	0	113.3	K393 R430	K393-E570 WeakPolarHBondContact CE-OE1 3.36Å; K393-E570 IonicContact NZ-OE1 3.53Å; K393-E570 PolarHBondContact NZ-OE1 3.34Å; R430-E570 VanDerWaalsContact NH1-CB 3.3Å
571	S	88.9	Confident	88.7	Confident	75 Å²	75	84.6 Å²	84.6	52%	0.524	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-3.2	173.9	50.1	0	0	0	0	114.2	Q569	Q569-S571 WeakPolarHBondContact CB-OG 3.12Å; Q569-S571 PolarHBondContact O-N 3.17Å; Q569-S571 VanDerWaalsContact O-N 3.12Å
572	D	91.5	Very high	85.6	Confident	62 Å²	62	83.6 Å²	83.6	33%	0.332	42%	0.424	S	S	.	.	S	Bend	trans	-66.2	145.7	178.7	-67.7	-12.9	0	0	0	110.4	R390 I568 Q569 Y574	R390-D572 PolarHBondContact NH1-O 3.12Å; R390-D572 PolarHBondContact NH2-O 3.1Å; I568-D572 WeakPolarHBondContact CA-OD2 3.34Å; I568-D572 WeakPolarHBondContact CG2-OD2 3.48Å; Q569-D572 WeakPolarHBondContact CB-OD1 3.34Å; Q569-D572 PolarHBondContact N-OD2 3.2Å; Q569-D572 WeakPolarHBondContact O-CB 3.18Å; Q569-D572 PolarHBondContact O-N 3.32Å; D572-Y574 PolarHBondContact O-N 2.81Å
573	F	92.6	Very high	82.3	Confident	126 Å²	126	88.6 Å²	88.6	55%	0.553	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-58.7	141.1	176.3	-67.5	-67.8	0	0	0	111.4	R390 E577 I578	R390-F573 PolarHBondContact NH2-O 3.34Å; F573-E577 HydrophobicContact CB-CB 4.2Å; F573-E577 HydrophobicContact CD1-CB 3.95Å; F573-E577 HydrophobicContact CG-CB 4.5Å; F573-I578 HydrophobicContact CB-CG1 4.18Å
574	Y	94.4	Very high	79.1	Confident	7 Å²	7	95.9 Å²	95.9	3%	0.027	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-77.8	158.6	166.1	-70.9	-85	0	0	0	110.6	T387 R390 L391 Q394 V431 D572 W576 E577 I578	T387-Y574 HydrophobicContact CG2-CD1 3.93Å; R390-Y574 HydrophobicContact CB-CE1 3.89Å; L391-Y574 HydrophobicContact CD2-CE1 4.32Å; L391-Y574 HydrophobicContact CG-CD1 4.49Å; L391-Y574 HydrophobicContact CG-CE1 4.14Å; Q394-Y574 PolarHBondContact NE2-OH 3.48Å; Q394-Y574 VanDerWaalsContact NE2-OH 3.09Å; V431-Y574 HydrophobicContact CB-CD2 3.86Å; V431-Y574 HydrophobicContact CB-CE2 3.75Å; V431-Y574 HydrophobicContact CG2-CD2 3.83Å; V431-Y574 HydrophobicContact CG2-CE2 4.19Å; D572-Y574 PolarHBondContact O-N 2.81Å; Y574-W576 VanDerWaalsContact CB-CH2 3.48Å; Y574-W576 AromaticContact CD1-CH2 3.46Å; Y574-W576 HydrophobicContact CD1-CH2 3.46Å; Y574-W576 VanDerWaalsContact CD1-CH2 3.46Å; Y574-W576 AromaticContact CD1-CZ2 3.91Å; Y574-W576 HydrophobicContact CD1-CZ2 3.91Å; Y574-W576 HydrophobicContact CD1-CZ3 4.11Å; Y574-W576 HydrophobicContact CD2-CH2 4.5Å; Y574-W576 HydrophobicContact CD2-CZ2 4.13Å; Y574-W576 HydrophobicContact CE1-CH2 4.26Å; Y574-W576 AromaticContact CG-CH2 3.58Å; Y574-W576 HydrophobicContact CG-CH2 3.58Å; Y574-W576 AromaticContact CG-CZ2 3.54Å; Y574-W576 HydrophobicContact CG-CZ2 3.54Å; Y574-W576 HydrophobicContact CG-CZ3 4.28Å; Y574-W576 PolarHBondContact O-N 2.83Å; Y574-E577 WeakPolarHBondContact CD2-OE2 3.36Å; Y574-E577 PolarHBondContact N-OE2 2.91Å; Y574-E577 WeakPolarHBondContact O-CB 3.49Å; Y574-E577 PolarHBondContact O-N 3.05Å; Y574-I578 PolarHBondContact O-N 2.64Å
575	D	95.1	Very high	75.9	Confident	23 Å²	23	94.1 Å²	94.1	12%	0.123	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.9	-168.7	-53.8	-21.4	0	0	0	114.9	L378 F383 T384 T387	L378-D575 HydrophobicContact CD1-CB 3.69Å; L378-D575 HydrophobicContact CD2-CB 3.94Å; L378-D575 HydrophobicContact CG-CB 4.49Å; F383-D575 WeakPolarHBondContact CA-OD2 3.5Å; F383-D575 WeakPolarHBondContact CD1-OD2 3.22Å; T384-D575 WeakPolarHBondContact CB-OD1 3.21Å; T384-D575 VanDerWaalsContact CG2-OD1 3.23Å; T384-D575 WeakPolarHBondContact CG2-OD1 3.4Å; T384-D575 PolarHBondContact N-OD2 3Å; T384-D575 PolarHBondContact OG1-OD1 2.84Å; T387-D575 VanDerWaalsContact CB-CG 3.48Å; T387-D575 VanDerWaalsContact CB-OD1 3.28Å; T387-D575 WeakPolarHBondContact CB-OD1 3.33Å; T387-D575 VanDerWaalsContact CB-OD2 3.28Å; T387-D575 WeakPolarHBondContact CB-OD2 3.31Å; T387-D575 WeakPolarHBondContact CG2-OD2 3.47Å; T387-D575 PolarHBondContact OG1-N 3.01Å; T387-D575 PolarHBondContact OG1-OD1 2.91Å; T387-D575 PolarHBondContact OG1-OD2 3.01Å
576	W	93.2	Very high	72.7	Confident	60 Å²	60	95.6 Å²	95.6	23%	0.227	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-8.3	177.9	59.1	83.5	0	0	0	114	I374 L378 F383 T387 L391 I419 V431 Y574	I374-W576 HydrophobicContact CG2-CB 4Å; I374-W576 HydrophobicContact CG2-CD2 3.4Å; I374-W576 VanDerWaalsContact CG2-CD2 3.4Å; I374-W576 HydrophobicContact CG2-CE3 3.22Å; I374-W576 HydrophobicContact CG2-CG 3.76Å; I374-W576 HydrophobicContact CG2-CZ3 3.84Å; L378-W576 HydrophobicContact CD2-CB 4.42Å; F383-W576 HydrophobicContact CD1-CE3 4.42Å; F383-W576 HydrophobicContact CD1-CZ3 4.04Å; F383-W576 AromaticContact CE1-CE3 3.79Å; F383-W576 HydrophobicContact CE1-CE3 3.79Å; F383-W576 AromaticContact CE1-CZ3 3.46Å; F383-W576 HydrophobicContact CE1-CZ3 3.46Å; F383-W576 VanDerWaalsContact CE1-CZ3 3.46Å; F383-W576 HydrophobicContact CZ-CZ3 4.16Å; T387-W576 HydrophobicContact CG2-CE3 4.45Å; T387-W576 HydrophobicContact CG2-CH2 4.17Å; T387-W576 HydrophobicContact CG2-CZ3 3.56Å; L391-W576 HydrophobicContact CD1-CH2 3.99Å; L391-W576 HydrophobicContact CD1-CZ3 4.07Å; L391-W576 HydrophobicContact CD2-CH2 3.91Å; L391-W576 HydrophobicContact CG-CH2 4.16Å; I419-W576 HydrophobicContact CG2-CZ2 4.13Å; V431-W576 HydrophobicContact CG1-CZ2 4.26Å; Y574-W576 VanDerWaalsContact CB-CH2 3.48Å; Y574-W576 AromaticContact CD1-CH2 3.46Å; Y574-W576 HydrophobicContact CD1-CH2 3.46Å; Y574-W576 VanDerWaalsContact CD1-CH2 3.46Å; Y574-W576 AromaticContact CD1-CZ2 3.91Å; Y574-W576 HydrophobicContact CD1-CZ2 3.91Å; Y574-W576 HydrophobicContact CD1-CZ3 4.11Å; Y574-W576 HydrophobicContact CD2-CH2 4.5Å; Y574-W576 HydrophobicContact CD2-CZ2 4.13Å; Y574-W576 HydrophobicContact CE1-CH2 4.26Å; Y574-W576 AromaticContact CG-CH2 3.58Å; Y574-W576 HydrophobicContact CG-CH2 3.58Å; Y574-W576 AromaticContact CG-CZ2 3.54Å; Y574-W576 HydrophobicContact CG-CZ2 3.54Å; Y574-W576 HydrophobicContact CG-CZ3 4.28Å; Y574-W576 PolarHBondContact O-N 2.83Å
577	E	91.2	Very high	69.4	Low	53 Å²	53	100 Å²	100	25%	0.248	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-23.8	176.3	-56.7	-176.8	114.2	0	0	112.2	V431 F573 Y574 P579	V431-E577 VanDerWaalsContact CG2-CD 3.5Å; V431-E577 HydrophobicContact CG2-CG 4.5Å; V431-E577 WeakPolarHBondContact CG2-OE1 3.35Å; F573-E577 HydrophobicContact CB-CB 4.2Å; F573-E577 HydrophobicContact CD1-CB 3.95Å; F573-E577 HydrophobicContact CG-CB 4.5Å; Y574-E577 WeakPolarHBondContact CD2-OE2 3.36Å; Y574-E577 PolarHBondContact N-OE2 2.91Å; Y574-E577 WeakPolarHBondContact O-CB 3.49Å; Y574-E577 PolarHBondContact O-N 3.05Å; E577-P579 VanDerWaalsContact O-CD 3.23Å; E577-P579 WeakPolarHBondContact O-CD 3.21Å; E577-P579 VanDerWaalsContact O-N 3.1Å
578	I	84.9	Confident	66.2	Low	98 Å²	98	98 Å²	98	50%	0.503	55%	0.545	S	S	.	.	S	Bend	trans	-53.5	116.7	176.4	-59.5	175	0	0	0	108.5	F573 Y574 K580	F573-I578 HydrophobicContact CB-CG1 4.18Å; Y574-I578 PolarHBondContact O-N 2.64Å; I578-K580 PolarHBondContact O-N 2.66Å
579	P	66.7	Low	63	Low	94 Å²	94	106.1 Å²	106.1	61%	0.61	58%	0.578	S	S	*	*			trans	-59.3	128.4	178.3	-24.6	35	0	0	0	109.9	E577 V581	E577-P579 VanDerWaalsContact O-CD 3.23Å; E577-P579 WeakPolarHBondContact O-CD 3.21Å; E577-P579 VanDerWaalsContact O-N 3.1Å; P579-V581 VanDerWaalsContact C-N 3.27Å; P579-V581 PolarHBondContact O-N 3.48Å
580	K	59.6	Low	59.9	Low	204 Å²	204	107.5 Å²	107.5	89%	0.887	59%	0.588	S	S	*	*			trans	-67.2	91.4	168.9	-69.1	-174.7	179.8	-176.8	0	108	I578 S582	I578-K580 PolarHBondContact O-N 2.66Å; K580-S582 PolarHBondContact O-N 2.82Å
581	V	45.9	Very low	57	Low	136 Å²	136	111 Å²	111	82%	0.824	60%	0.604	S	S	*	*			trans	-55.6	110.4	175.5	-179.3	0	0	0	0	107.8	P579 S583	P579-V581 VanDerWaalsContact C-N 3.27Å; P579-V581 PolarHBondContact O-N 3.48Å; V581-S583 PolarHBondContact O-N 3.17Å
582	S	32.5	Very low	54.2	Low	94 Å²	94	115 Å²	115	66%	0.657	62%	0.615	S	S	*	*			trans	-64.9	122.7	178.6	46.7	0	0	0	0	109.1	K580 L584	K580-S582 PolarHBondContact O-N 2.82Å; S582-L584 PolarHBondContact O-N 3.47Å
583	S	28.9	Very low	51.2	Low	121 Å²	121	118.5 Å²	118.5	85%	0.846	64%	0.641	S	S	*	*	S	Bend	trans	-73.8	64.2	-176.7	57.3	0	0	0	0	112.3	V581	V581-S583 PolarHBondContact O-N 3.17Å
584	L	28.9	Very low	47.9	Very low	160 Å²	160	115.6 Å²	115.6	84%	0.838	65%	0.646	S	S	*	*			trans	-146	49.8	-177.6	-73.7	178.6	0	0	0	112	S582	S582-L584 PolarHBondContact O-N 3.47Å
585	A	29.1	Very low	44.5	Very low	92 Å²	92	121.7 Å²	121.7	76%	0.76	68%	0.684	S	S	*	*	S	Bend	trans	-169.6	79.1	162.6	0	0	0	0	0	111.8
586	D	30.8	Very low	41.3	Very low	167 Å²	167	128.4 Å²	128.4	89%	0.893	72%	0.719	S	S	*	*			trans	-177.9	44.5	139	-105	-10.6	0	0	0	113.6	T588	D586-T588 PolarHBondContact O-N 2.94Å
587	D	27.5	Very low	38	Very low	163 Å²	163	130.8 Å²	130.8	87%	0.872	74%	0.74	S	S	*	*			trans	-93	63.7	172.4	-113.3	-38.7	0	0	0	111
588	T	29.1	Very low	34.7	Very low	128 Å²	128	134.9 Å²	134.9	79%	0.785	76%	0.762	S	S	*	*			trans	-155.9	42.4	173.7	-12.4	0	0	0	0	116.5	D586	D586-T588 PolarHBondContact O-N 2.94Å
589	K	29.6	Very low	32	Very low	209 Å²	209	138.6 Å²	138.6	91%	0.909	78%	0.777	S	S	*	*			trans	-143.4	73.6	162.3	-117.8	164.8	-169.2	170.5	0	113.7	Q591	K589-Q591 PolarHBondContact O-N 2.88Å; K589-Q591 VanDerWaalsContact O-N 3.15Å
590	I	28.1	Very low	30	Very low	129 Å²	129	143.1 Å²	143.1	66%	0.662	79%	0.788	S	S	*	*			trans	-69.9	105.3	178.1	-56.9	172.2	0	0	0	111.4	R700	I590-R700 PolarHBondContact O-NH2 3.47Å
591	Q	28.4	Very low	28.6	Very low	130 Å²	130	137.4 Å²	137.4	61%	0.607	78%	0.778	S	S	*	*			trans	-127	153.9	141.5	-75.7	-168.3	-6.3	0	0	108.6	K589 N698	K589-Q591 PolarHBondContact O-N 2.88Å; K589-Q591 VanDerWaalsContact O-N 3.15Å; Q591-N698 PolarHBondContact OE1-ND2 2.77Å
592	Q	29.9	Very low	27.6	Very low	159 Å²	159	137.7 Å²	137.7	74%	0.743	78%	0.775	S	S	*	*			trans	-82.7	150.4	-154.8	-68	-176	-6.6	0	0	114.4	G594	Q592-G594 PolarHBondContact O-N 2.96Å
593	P	28.7	Very low	27.3	Very low	136 Å²	136	141.4 Å²	141.4	88%	0.883	78%	0.782	S	S	*	*			trans	-80.6	120.4	-171.7	31	-34.8	0	0	0	113.2
594	G	23.5	Very low	27.2	Very low	64 Å²	64	145.6 Å²	145.6	66%	0.66	79%	0.785	S	S	*	*			trans	-137.3	106.9	167.5	0	0	0	0	0	111.1	Q592	Q592-G594 PolarHBondContact O-N 2.96Å
595	T	23.9	Very low	27.1	Very low	136 Å²	136	142.7 Å²	142.7	83%	0.834	78%	0.784	S	S	*	*			trans	26.6	102.3	165.3	-51.7	0	0	0	0	118.8
596	I	27.3	Very low	26.8	Very low	164 Å²	164	146 Å²	146	84%	0.841	79%	0.787	S	S	*	*			trans	-130.1	142.6	148.4	-64.6	-175.6	0	0	0	108.9
597	T	22.6	Very low	26.5	Very low	110 Å²	110	148 Å²	148	68%	0.675	79%	0.788	S	S	*	*			trans	-118.3	154.2	178.2	-40.9	0	0	0	0	109.2
598	L	23.9	Very low	26.3	Very low	138 Å²	138	145.8 Å²	145.8	72%	0.723	79%	0.785	S	S	*	*			trans	73.9	155.8	175.9	-51	-178.6	0	0	0	112.7
599	H	26.8	Very low	26.2	Very low	176 Å²	176	147 Å²	147	82%	0.815	78%	0.782	S	S	*	*			cis	-108.4	132.5	21.2	-67	-78.2	0	0	0	116.7
600	K	24.4	Very low	26	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.826	77%	0.773	S	S	*	*				-86.6	133.6	129.2	-71.5	-175.7	175.1	-177.1	0	106.8
601	A	29.9	Very low	25.9	Very low	83 Å²	83	147.2 Å²	147.2	69%	0.686	79%	0.786	S	S	*	*			trans	-90.1	106.9	173.2	0	0	0	0	0	110.7
602	D	25.6	Very low	25.7	Very low	142 Å²	142	146 Å²	146	76%	0.759	79%	0.791	S	S	*	*			trans	41.8	89.1	135.5	-51.6	-35.6	0	0	0	120
603	H	26.9	Very low	25.5	Very low	172 Å²	172	147.8 Å²	147.8	80%	0.796	80%	0.8	S	S	*	*			trans	-135.6	70.4	146.4	-92.6	-89.9	0	0	0	110.4
604	K	25.8	Very low	25.4	Very low	210 Å²	210	149.8 Å²	149.8	91%	0.913	79%	0.794	S	S	*	*			trans	-163.5	88.2	167.1	-120.6	179.3	-175.8	-174.5	0	113.1
605	A	26.3	Very low	25.6	Very low	99 Å²	99	154 Å²	154	82%	0.818	80%	0.797	S	S	*	*			trans	-149.9	25.5	178.7	0	0	0	0	0	115.9
606	I	24.8	Very low	25.8	Very low	160 Å²	160	153.5 Å²	153.5	82%	0.821	79%	0.793	S	S	*	*	S	Bend	trans	-136.9	85.9	161.4	-53.1	-179.9	0	0	0	109.2
607	F	24.2	Very low	25.6	Very low	211 Å²	211	156.8 Å²	156.8	93%	0.925	80%	0.795	S	S	*	*			trans	177.2	92.2	147.2	-108	-68.1	0	0	0	108.1
608	S	23.6	Very low	25.8	Very low	116 Å²	116	159 Å²	159	81%	0.811	80%	0.802	S	S	*	*			trans	-152	73.5	-179.5	60.1	0	0	0	0	111.4
609	E	25.2	Very low	25.8	Very low	152 Å²	152	161.9 Å²	161.9	71%	0.71	81%	0.812	S	S	*	*			trans	-150.7	138.2	158.9	-141.6	-168.1	-157.2	0	0	112.6
610	K	26.3	Very low	25.8	Very low	166 Å²	166	161.5 Å²	161.5	72%	0.722	81%	0.81	S	S	*	*	S	Bend	trans	68.5	140	175.2	-67.1	130.9	-178.4	164.1	0	116.9
611	L	25.8	Very low	26	Very low	178 Å²	178	162 Å²	162	93%	0.932	81%	0.813	S	S	*	*	S	Bend	trans	65.2	110.8	-172.7	-53.3	169.2	0	0	0	113.7
612	S	25.1	Very low	25.8	Very low	104 Å²	104	165.9 Å²	165.9	73%	0.727	82%	0.822	S	S	*	*			cis	-151.8	134.9	0.2	55.1	0	0	0	0	112
613	H	24.6	Very low	25.9	Very low	197 Å²	197	166 Å²	166	91%	0.912	82%	0.822	S	S	*	*			trans	-145.6	94.2	164.2	-105.1	48.6	0	0	0	108.8
614	K	27.8	Very low	25.9	Very low	178 Å²	178	166.3 Å²	166.3	77%	0.774	82%	0.824	S	S	*	*			trans	-163.3	141.8	163.9	-116.7	-165.7	171.5	-159.4	0	109.7
615	E	27.6	Very low	26	Very low	152 Å²	152	162.8 Å²	162.8	71%	0.71	82%	0.82	S	S	*	*			trans	53.7	147.5	-172.7	-65.3	79.3	-102	0	0	115.3
616	V	26.9	Very low	25.8	Very low	125 Å²	125	164.9 Å²	164.9	76%	0.758	82%	0.817	S	S	*	*			cis	-113.3	125.8	11.4	178.9	0	0	0	0	112.1
617	R	24.5	Very low	26.1	Very low	234 Å²	234	163.9 Å²	163.9	88%	0.883	82%	0.819	S	S	*	*			trans	-118.6	164.5	142.5	-97.9	-178	171.5	160.6	-2.5	106.7
618	L	26.3	Very low	26.1	Very low	157 Å²	157	161.4 Å²	161.4	82%	0.822	81%	0.81	S	S	*	*			trans	74.3	84.1	-173.7	-52.6	172.5	0	0	0	114.9
619	Q	24.5	Very low	26.5	Very low	198 Å²	198	163.5 Å²	163.5	93%	0.925	81%	0.812	S	S	*	*				-123.3	95.7	129.6	-87.3	-166.9	-15	0	0	107.6
620	Q	26.6	Very low	26.8	Very low	168 Å²	168	163.5 Å²	163.5	79%	0.785	82%	0.815	S	S	*	*			trans	-159.6	69.5	171.7	-154.7	171.7	6.2	0	0	110.2
621	F	26.8	Very low	27	Very low	200 Å²	200	162.2 Å²	162.2	88%	0.877	82%	0.821	S	S	*	*			trans	-168.8	118.1	150.2	-106.1	-66.6	0	0	0	109.3
622	N	25.8	Very low	27.1	Very low	165 Å²	165	156.8 Å²	156.8	88%	0.882	81%	0.808	S	S	*	*			trans	-168.3	93.7	148.3	-114.4	10.1	0	0	0	107.4
623	N	27.7	Very low	27.4	Very low	143 Å²	143	162 Å²	162	77%	0.765	82%	0.818	S	S	*	*			trans	-84.7	121.9	162	-88.7	8.3	0	0	0	107.9
624	Q	28.1	Very low	27.4	Very low	179 Å²	179	160.7 Å²	160.7	84%	0.836	81%	0.812	S	S	*	*			trans	10.2	121.8	145.1	-61.6	166.9	-22.9	0	0	117.6
625	V	27.8	Very low	27.4	Very low	136 Å²	136	161.3 Å²	161.3	82%	0.824	82%	0.817	S	S	*	*				-133	128.1	118.5	-178.9	0	0	0	0	107.4
626	N	22.8	Very low	27.3	Very low	143 Å²	143	159.4 Å²	159.4	77%	0.765	82%	0.821	S	S	*	*			trans	-109.8	132.8	164.8	-104.9	28.9	0	0	0	107.5
627	V	29.7	Very low	27.3	Very low	139 Å²	139	157.3 Å²	157.3	84%	0.842	82%	0.824	S	S	*	*			trans	-142.2	133.2	147.9	-174.8	0	0	0	0	106.3
628	E	24.5	Very low	27.3	Very low	160 Å²	160	155.7 Å²	155.7	75%	0.748	82%	0.818	S	S	*	*			trans	-94.2	159.1	177.3	-60.8	165.7	124.6	0	0	109.2
629	D	31.4	Very low	27.2	Very low	160 Å²	160	154.5 Å²	154.5	86%	0.856	81%	0.809	S	S	*	*				178.7	171.7	123.9	-115.1	-39.2	0	0	0	116.1
630	I	32.5	Very low	27.2	Very low	152 Å²	152	152.4 Å²	152.4	78%	0.779	80%	0.799	S	S	*	*			trans	74.7	75.5	165.3	-40.1	-157.3	0	0	0	117.6
631	V	29.7	Very low	27.1	Very low	138 Å²	138	150.6 Å²	150.6	84%	0.836	80%	0.795	S	S	*	*			trans	-37.9	143.2	135.8	-178.8	0	0	0	0	111.5
632	G	29	Very low	27.3	Very low	64 Å²	64	151 Å²	151	66%	0.66	80%	0.796	S	S	*	*			cis	135.4	148.7	7.3	0	0	0	0	0	110.8
633	K	30.8	Very low	27.3	Very low	215 Å²	215	148.7 Å²	148.7	94%	0.935	79%	0.787	S	S	*	*			trans	-151.1	136.1	169	-128.4	173.4	-173.9	177.3	0	111.6
634	Q	24.8	Very low	27.4	Very low	169 Å²	169	151.5 Å²	151.5	79%	0.79	79%	0.793	S	S	*	*			trans	-99.2	163.4	-178.6	-60.6	170.1	-12.2	0	0	110.4
635	H	28.5	Very low	27.2	Very low	191 Å²	191	151.1 Å²	151.1	88%	0.884	79%	0.791	S	S	*	*				-161.2	166.7	117.7	-98.2	-55.9	0	0	0	111.5
636	S	24.2	Very low	27.4	Very low	112 Å²	112	151.4 Å²	151.4	78%	0.783	79%	0.788	S	S	*	*			trans	-149.3	148.8	-170	52.9	0	0	0	0	109
637	G	27.7	Very low	27.7	Very low	81 Å²	81	153 Å²	153	84%	0.835	79%	0.791	S	S	*	*			trans	162.4	93.5	175.8	0	0	0	0	0	116.6
638	R	24.7	Very low	27.8	Very low	199 Å²	199	153.1 Å²	153.1	75%	0.751	79%	0.787	S	S	*	*			trans	-40.6	155.4	163.6	-56.8	168.5	76.8	125.1	13	117.1
639	E	23.3	Very low	28.2	Very low	133 Å²	133	152.2 Å²	152.2	62%	0.621	79%	0.787	S	S	*	*			trans	62	145.5	135.7	-66.7	151.7	-167.3	0	0	118.5
640	E	24.3	Very low	28.1	Very low	154 Å²	154	153.5 Å²	153.5	72%	0.72	79%	0.788	S	S	*	*			cis	-161.6	161.3	3.1	-129.9	-179.3	-137.4	0	0	112.7
641	N	24	Very low	28	Very low	130 Å²	130	154.4 Å²	154.4	70%	0.695	79%	0.789	S	S	*	*			trans	45.5	115.4	147.8	-71.3	-38	0	0	0	123
642	K	32.3	Very low	27.9	Very low	209 Å²	209	154.6 Å²	154.6	91%	0.909	78%	0.78	S	S	*	*			trans	-161.8	150.5	133.1	-115.9	167.1	-173.7	173.1	0	112.7
643	V	24.7	Very low	27.7	Very low	116 Å²	116	159.7 Å²	159.7	70%	0.703	79%	0.787	S	S	*	*			trans	-129.7	145.7	-175.1	175	0	0	0	0	110.3	E645	V643-E645 HydrophobicContact CG1-CG 4.19Å
644	K	30.7	Very low	27.5	Very low	201 Å²	201	156.2 Å²	156.2	87%	0.874	78%	0.778	S	S	*	*			trans	-146.2	162.2	149.5	-90.2	-155.2	168.4	-162.5	0	108.6
645	E	24.3	Very low	27.7	Very low	172 Å²	172	153.1 Å²	153.1	80%	0.804	77%	0.767	S	S	*	*			trans	-125.6	140.5	-162.4	-66.7	157.3	128.6	0	0	111.9	V643	V643-E645 HydrophobicContact CG1-CG 4.19Å
646	D	31.4	Very low	27.6	Very low	142 Å²	142	152.4 Å²	152.4	76%	0.759	76%	0.761	S	S	*	*			trans	-166.6	134.4	175.3	36.5	-84.3	0	0	0	108.5
647	E	29.9	Very low	27.6	Very low	176 Å²	176	155 Å²	155	82%	0.822	76%	0.763	S	S	*	*			cis	-160	172.5	-31.3	-121.9	161.7	173.3	0	0	109.4
648	D	31.9	Very low	27.5	Very low	142 Å²	142	157.8 Å²	157.8	76%	0.759	76%	0.759	S	S	*	*			trans	62.9	121.7	169.2	-58.5	-12.5	0	0	0	123.9
649	D	32	Very low	27.6	Very low	141 Å²	141	156.3 Å²	156.3	75%	0.754	76%	0.761	S	S	*	*			trans	56.5	111.3	146.8	-56.8	-7.4	0	0	0	122.8
650	E	29.5	Very low	27.8	Very low	187 Å²	187	155.5 Å²	155.5	87%	0.874	77%	0.765	S	S	*	*				72.7	126.3	79	-72	-163.1	177.1	0	0	116.2
651	E	29.3	Very low	27.9	Very low	170 Å²	170	155.3 Å²	155.3	79%	0.794	77%	0.768	S	S	*	*			cis	-126.4	-146.5	-13	-143.6	-142.9	123.3	0	0	108.3	Q653	E651-Q653 PolarHBondContact OE1-N 2.91Å
652	E	28.7	Very low	28.1	Very low	142 Å²	142	158.9 Å²	158.9	66%	0.664	78%	0.777	S	S	*	*			cis	-140.1	144.3	5.4	178.8	-106.9	-81.3	0	0	111.3	L654	E652-L654 PolarHBondContact OE2-N 3.22Å
653	Q	24.3	Very low	28	Very low	172 Å²	172	154 Å²	154	80%	0.804	77%	0.767	S	S	*	*			trans	-145.8	115.2	157.2	-70.3	-167.4	25.3	0	0	114.7	E651	E651-Q653 PolarHBondContact OE1-N 2.91Å
654	L	26.4	Very low	28.1	Very low	142 Å²	142	156.5 Å²	156.5	74%	0.743	78%	0.776	S	S	*	*			trans	-133.8	91.9	163.9	-151.1	70.7	0	0	0	117.3	E652	E652-L654 PolarHBondContact OE2-N 3.22Å
655	N	29.4	Very low	28	Very low	104 Å²	104	152.6 Å²	152.6	56%	0.556	77%	0.769	S	S	*	*			trans	67.5	103.8	145.2	-74	-53.6	0	0	0	121.7
656	K	26.6	Very low	28	Very low	175 Å²	175	152 Å²	152	76%	0.761	77%	0.771	S	S	*	*				59.2	135.7	111.9	-64.8	178.5	-172.4	118.1	0	121.4
657	M	23.5	Very low	27.9	Very low	167 Å²	167	152.6 Å²	152.6	82%	0.823	77%	0.773	S	S	*	*			trans	100	134.1	153.7	-66.8	-172.7	-72	0	0	119.9
658	N	26.4	Very low	27.8	Very low	140 Å²	140	149.2 Å²	149.2	75%	0.749	76%	0.757	S	S	*	*			trans	77.4	68.9	153.3	-57.8	-12.9	0	0	0	119.3
659	E	26.5	Very low	27.5	Very low	168 Å²	168	150.1 Å²	150.1	79%	0.785	76%	0.762	S	S	*	*				21	123.5	115	-67.5	-169.1	120.6	0	0	119.9
660	T	27.8	Very low	27.4	Very low	115 Å²	115	150.5 Å²	150.5	71%	0.706	77%	0.768	S	S	*	*			trans	63.1	122.7	137.5	69.3	0	0	0	0	120.6
661	L	25.3	Very low	27.3	Very low	150 Å²	150	151.3 Å²	151.3	79%	0.785	76%	0.764	S	S	*	*				177.1	108.6	101	-97	164	0	0	0	112.3
662	K	28.6	Very low	27.1	Very low	205 Å²	205	148.9 Å²	148.9	89%	0.891	76%	0.756	S	S	*	*			trans	-134.3	149.5	146	-82.8	-169.4	177.8	174.4	0	109.4
663	P	31.2	Very low	27	Very low	106 Å²	106	149.6 Å²	149.6	69%	0.688	76%	0.764	S	S	*	*			trans	-112.4	140.3	-147.3	37	-27.9	0	0	0	114.1
664	N	26.7	Very low	27.1	Very low	170 Å²	170	150 Å²	150	91%	0.909	77%	0.766	S	S	*	*			trans	-162	56	154.6	-108.3	-18.9	0	0	0	113.4
665	T	27.8	Very low	27.1	Very low	118 Å²	118	149.9 Å²	149.9	72%	0.724	76%	0.763	S	S	*	*			trans	-143	94.3	168.8	-41.4	0	0	0	0	111	Q668	T665-Q668 HydrophobicContact CG2-CB 3.89Å
666	L	24.9	Very low	27	Very low	159 Å²	159	152.7 Å²	152.7	83%	0.832	78%	0.778	S	S	*	*	S	Bend	trans	-132.4	39.6	169.6	-141.6	169.3	0	0	0	110.5
667	L	28.1	Very low	27.1	Very low	156 Å²	156	153.1 Å²	153.1	82%	0.817	78%	0.78	S	S	*	*	S	Bend	trans	-144.6	13	176.8	-124.5	171.2	0	0	0	113.7
668	Q	28.7	Very low	27.1	Very low	104 Å²	104	153.1 Å²	153.1	49%	0.486	78%	0.78	S	S	.	*	S	Bend	trans	-126.5	59.3	178.2	-163.3	67.8	28.1	0	0	111.2	T665 D672	T665-Q668 HydrophobicContact CG2-CB 3.89Å; Q668-D672 PolarHBondContact NE2-OD2 3.09Å
669	L	26.1	Very low	27.2	Very low	162 Å²	162	156.7 Å²	156.7	85%	0.848	79%	0.788	S	S	*	*	S	Bend	trans	-148.5	21.4	170.7	-118.9	167.8	0	0	0	112.9
670	V	29.9	Very low	27.4	Very low	148 Å²	148	154.1 Å²	154.1	90%	0.897	79%	0.789	S	S	*	*	S	Bend	trans	-136.2	31.7	174.8	-162.1	0	0	0	0	110.2
671	R	26.9	Very low	27.4	Very low	205 Å²	205	154 Å²	154	77%	0.774	79%	0.793	S	S	*	*	S	Bend	trans	-133.3	-34.3	171.7	-91.5	-167.3	166.3	108.7	1.6	113.7	N673	R671-N673 PolarHBondContact O-N 3.23Å
672	D	25.3	Very low	27.4	Very low	119 Å²	119	155.3 Å²	155.3	64%	0.636	80%	0.797	S	S	*	*	S	Bend	trans	-95	70.1	-176.6	-53.6	-65.7	0	0	0	111.9	Q668	Q668-D672 PolarHBondContact NE2-OD2 3.09Å
673	N	25.6	Very low	27.4	Very low	157 Å²	157	153.1 Å²	153.1	84%	0.84	80%	0.795	S	S	*	*	S	Bend	trans	-151.2	36.3	168.2	-126.5	-38.9	0	0	0	113.6	R671	R671-N673 PolarHBondContact O-N 3.23Å
674	Q	27.8	Very low	27.1	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	80%	0.795	S	S	*	*	S	Bend	trans	-140.8	152.1	163.8	-75	-172.8	-20.4	0	0	109.5
675	M	26.3	Very low	27.3	Very low	140 Å²	140	152.9 Å²	152.9	69%	0.69	79%	0.787	S	S	*	*			trans	70.8	54	169.9	-56.4	-56.4	-72.3	0	0	119.4	M678	M675-M678 HydrophobicContact CE-CB 4.15Å; M675-M678 HydrophobicContact CE-CG 4.31Å; M675-M678 HydrophobicContact CE-SD 4.39Å
676	L	27.9	Very low	27.4	Very low	164 Å²	164	154.2 Å²	154.2	86%	0.859	79%	0.79	S	S	*	*	S	Bend	trans	-117.3	120.4	135.6	-81.7	169.7	0	0	0	107.3
677	K	27.5	Very low	27.5	Very low	184 Å²	184	156.7 Å²	156.7	80%	0.8	79%	0.788	S	S	*	*			cis	-138.7	145.1	-3.9	-62.8	168.1	-178.6	171.3	0	108.5
678	M	24	Very low	27.6	Very low	167 Å²	167	156.9 Å²	156.9	82%	0.823	79%	0.785	S	S	*	*			trans	-119.7	125	154.8	-88.1	-172.8	163.6	0	0	109	M675	M675-M678 HydrophobicContact CE-CB 4.15Å; M675-M678 HydrophobicContact CE-CG 4.31Å; M675-M678 HydrophobicContact CE-SD 4.39Å
679	K	29.2	Very low	27.6	Very low	214 Å²	214	156.7 Å²	156.7	93%	0.93	80%	0.795	S	S	*	*			trans	-143.4	78.2	173	-109.6	-159.1	176.8	-167.9	0	109.4
680	S	29	Very low	27.8	Very low	115 Å²	115	153.2 Å²	153.2	80%	0.804	79%	0.79	S	S	*	*			trans	-157.1	110.6	160.4	44.2	0	0	0	0	107.2
681	S	27.8	Very low	27.8	Very low	112 Å²	112	151.1 Å²	151.1	78%	0.783	78%	0.782	S	S	*	*			trans	-84.2	150.7	-171.2	-48.9	0	0	0	0	111.6
682	M	25.9	Very low	27.9	Very low	177 Å²	177	152.2 Å²	152.2	87%	0.872	79%	0.786	S	S	*	*			trans	34.4	114.6	141.2	-60.3	169.3	177.2	0	0	118.4
683	N	28.7	Very low	27.9	Very low	160 Å²	160	151.3 Å²	151.3	86%	0.856	79%	0.788	S	S	*	*				-145.2	159.2	117.1	-142.2	-22.7	0	0	0	111.1
684	L	25.8	Very low	28	Very low	131 Å²	131	150.1 Å²	150.1	69%	0.686	78%	0.781	S	S	*	*			trans	-109.3	147.6	179.9	-60.4	92.8	0	0	0	110.5
685	N	29.6	Very low	28	Very low	139 Å²	139	148.7 Å²	148.7	74%	0.743	78%	0.779	S	S	*	*				170.3	157	109.1	-85.3	-40.3	0	0	0	112.9
686	N	30.6	Very low	27.9	Very low	146 Å²	146	149.6 Å²	149.6	78%	0.781	78%	0.783	S	S	*	*			trans	50.9	107.7	162.6	-55.2	-16.3	0	0	0	117.4
687	R	26.5	Very low	28.1	Very low	211 Å²	211	145.7 Å²	145.7	80%	0.796	78%	0.775	S	S	*	*				55.2	106.2	53.3	-67.6	-167.7	173.3	-180	1.8	116
688	H	31.1	Very low	28.2	Very low	160 Å²	160	141.2 Å²	141.2	74%	0.741	76%	0.76	S	S	*	*				149.9	111.7	124.7	-80.8	-66.7	0	0	0	109
689	S	27.4	Very low	28.3	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	74%	0.743	S	S	*	*				58.8	124.6	70.5	76.3	0	0	0	0	113.4
690	A	30.4	Very low	28.3	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	73%	0.732	S	S	*	*			cis	-158.6	179.8	-1.1	0	0	0	0	0	107.9
691	S	30.8	Very low	28.2	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	73%	0.727	S	S	*	*				-179.5	161.4	52.6	-62.8	0	0	0	0	113
692	R	28	Very low	28.2	Very low	227 Å²	227	135 Å²	135	86%	0.857	73%	0.726	S	S	*	*			trans	50.3	117.4	141.3	-74.7	-175.8	133.3	100.6	-1.1	120.8
693	C	25.4	Very low	28.2	Very low	101 Å²	101	133.5 Å²	133.5	68%	0.682	73%	0.726	S	S	*	*				80.5	150.9	98.7	-68.3	0	0	0	0	116
694	N	27.8	Very low	28.2	Very low	131 Å²	131	129.9 Å²	129.9	70%	0.701	72%	0.719	S	S	*	*			cis	-171.1	144.3	-16.8	-114.4	6.4	0	0	0	109.8
695	L	27.5	Very low	28.4	Very low	149 Å²	149	131.5 Å²	131.5	78%	0.78	72%	0.723	S	S	*	*			trans	62.2	162.6	159.7	-79.7	80.2	0	0	0	116.8
696	M	25.9	Very low	28.3	Very low	159 Å²	159	131.2 Å²	131.2	78%	0.783	72%	0.72	S	S	*	*			cis	-162.7	176.1	-20.4	-112.5	-76.4	-170.4	0	0	110.5
697	A	31.2	Very low	28.1	Very low	83 Å²	83	130.8 Å²	130.8	69%	0.686	72%	0.718	S	S	*	*			trans	75.1	127.8	177.1	0	0	0	0	0	116.1
698	N	28.7	Very low	28.2	Very low	89 Å²	89	129 Å²	129	48%	0.476	72%	0.715	S	S	.	*			cis	80.2	133.2	41.1	-72.8	-28	0	0	0	114.5	Q591	Q591-N698 PolarHBondContact OE1-ND2 2.77Å
699	S	27.1	Very low	28.1	Very low	67 Å²	67	130 Å²	130	47%	0.469	72%	0.718	S	S	.	*			cis	-176.3	167.1	-10.8	58.2	0	0	0	0	111.8
700	R	30	Very low	28	Very low	186 Å²	186	131.9 Å²	131.9	70%	0.702	72%	0.718	S	S	*	*			trans	72.9	162.7	162.1	-62.6	173.8	-176.5	-166.3	1.1	116.4	I590	I590-R700 PolarHBondContact O-NH2 3.47Å
701	S	26.1	Very low	27.9	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	72%	0.717	S	S	*	*			cis	-179.1	167.2	-24.5	-93.6	0	0	0	0	109.5
702	T	27	Very low	27.8	Very low	124 Å²	124	135.4 Å²	135.4	76%	0.761	72%	0.724	S	S	*	*			cis	-174.6	172.6	-46.8	23.5	0	0	0	0	108.8
703	V	26	Very low	27.9	Very low	145 Å²	145	127.4 Å²	127.4	88%	0.879	71%	0.712	S	S	*	*			trans	90.4	156.5	161.7	167.7	0	0	0	0	119.5
704	A	29.6	Very low	28.1	Very low	84 Å²	84	129.1 Å²	129.1	69%	0.694	71%	0.708	S	S	*	*			trans	90.5	139.8	179.4	0	0	0	0	0	116.5
705	E	30.1	Very low	28.2	Very low	166 Å²	166	126.5 Å²	126.5	78%	0.776	69%	0.694	S	S	*	*			cis	-157.1	143.6	-12.5	-104.1	-175.2	112.1	0	0	107.6
706	I	26.5	Very low	28.4	Very low	133 Å²	133	123.6 Å²	123.6	68%	0.682	68%	0.678	S	S	*	*				89.7	139.3	63.9	-70.9	-175.9	0	0	0	115.7
707	N	27.6	Very low	28.6	Very low	136 Å²	136	122.5 Å²	122.5	73%	0.727	67%	0.669	S	S	*	*			trans	76.8	154.2	171	-72.2	-39.1	0	0	0	119.9
708	K	27.7	Very low	28.5	Very low	173 Å²	173	129.3 Å²	129.3	75%	0.752	68%	0.677	S	S	*	*			cis	-172.7	160.1	-28.7	-162.4	170.2	-172.6	167.4	0	110.9
709	K	28.6	Very low	28.6	Very low	183 Å²	183	133.5 Å²	133.5	80%	0.796	69%	0.691	S	S	*	*			trans	77.2	152.7	170.8	-61	-167	178	-178.2	0	115.8
710	I	26.5	Very low	28.6	Very low	138 Å²	138	136.3 Å²	136.3	71%	0.708	70%	0.701	S	S	*	*			cis	156.7	109.5	-21.5	-96.1	165.4	0	0	0	105.1
711	C	27.6	Very low	28.6	Very low	106 Å²	106	134.3 Å²	134.3	72%	0.716	70%	0.703	S	S	*	*				71.4	156.7	124.7	-50.6	0	0	0	0	116.5
712	D	29	Very low	28.7	Very low	162 Å²	162	132.2 Å²	132.2	87%	0.866	68%	0.683	S	S	*	*			cis	-140.5	174.1	11.3	-97.4	-60.1	0	0	0	110
713	G	29.6	Very low	28.8	Very low	59 Å²	59	134.9 Å²	134.9	61%	0.608	68%	0.684	S	S	*	*			cis	157.4	-163.7	0.2	0	0	0	0	0	112.3
714	K	30.8	Very low	29	Very low	137 Å²	137	133.9 Å²	133.9	60%	0.596	67%	0.674	S	S	*	*			trans	103.3	144.2	-174.6	-74.1	-165.8	170.3	-171.1	0	114.8	T1114 C1115 I1116	K714-T1114 PolarHBondContact NZ-OG1 3.43Å; K714-C1115 CarbonylContact C-O 3.51Å; K714-I1116 CarbonylContact C-O 3.6Å; K714-I1116 VanDerWaalsContact C-O 3.23Å
715	L	30.1	Very low	28.8	Very low	77 Å²	77	139.1 Å²	139.1	40%	0.403	68%	0.684	S	S	.	*			cis	-179.4	102.4	-17	-164.6	138.6	0	0	0	113.1	T1114 C1115 I1116	L715-T1114 WeakPolarHBondContact CB-O 3.37Å; L715-C1115 VanDerWaalsContact N-C 3.27Å; L715-C1115 PolarHBondContact N-O 2.78Å; L715-C1115 CarbonylContact O-C 3.54Å; L715-I1116 VanDerWaalsContact C-C 3.43Å; L715-I1116 PolarHBondContact N-O 3.39Å; L715-I1116 PolarHBondContact O-N 3.35Å
716	L	30.2	Very low	28.6	Very low	88 Å²	88	134.9 Å²	134.9	46%	0.461	68%	0.684	S	S	.	*	B	Isolated β-bridge	trans	66	160.5	168.4	-74.7	45.2	0	0	0	116.8	I1116 T1117	L716-I1116 CarbonylContact O-C 3.6Å; L716-I1116 WeakPolarHBondContact O-CA 3.27Å; L716-I1116 PolarHBondContact O-N 2.94Å; L716-T1117 VanDerWaalsContact N-N 3.19Å; L716-T1117 PolarHBondContact N-O 2.78Å; L716-T1117 PolarHBondContact O-N 2.87Å
717	K	31.3	Very low	28.4	Very low	136 Å²	136	134 Å²	134	59%	0.591	69%	0.691	S	S	*	*			cis	-151.3	-161.7	-13.8	-109.6	158	-172.8	157.9	0	103.4
718	R	29.5	Very low	28.2	Very low	225 Å²	225	135.7 Å²	135.7	85%	0.849	70%	0.699	S	S	*	*			cis	-162.7	134.4	-9.8	-126.3	176.5	178.2	174.4	-1.7	102.4	H1118	R718-H1118 WeakPolarHBondContact CA-NE2 3.42Å; R718-H1118 PolarHBondContact N-NE2 2.95Å; R718-H1118 VanDerWaalsContact N-NE2 3.18Å
719	K	29.6	Very low	28	Very low	177 Å²	177	131 Å²	131	77%	0.77	70%	0.699	S	S	*	*			cis	-157.2	125.3	-8.3	-175.6	-174.9	-172.7	-174.6	0	107.6
720	N	28	Very low	27.7	Very low	126 Å²	126	126.4 Å²	126.4	67%	0.674	70%	0.695	S	S	*	*			trans	-89.9	148.4	170.2	-125.8	-25.3	0	0	0	109.6	L722	N720-L722 HydrophobicContact CB-CD1 3.85Å; N720-L722 VanDerWaalsContact CG-CD1 3.48Å; N720-L722 WeakPolarHBondContact ND2-CD1 3.08Å
721	I	28.5	Very low	27.5	Very low	144 Å²	144	126.1 Å²	126.1	74%	0.738	70%	0.695	S	S	*	*			trans	-121.7	99.6	146.6	-69.5	-174	0	0	0	106.8
722	L	28.4	Very low	27.4	Very low	57 Å²	57	127.1 Å²	127.1	30%	0.298	69%	0.693	S	S	.	*			trans	-57.3	149.5	159.5	-92.9	68.4	0	0	0	108.7	N720 N724 L1120	N720-L722 HydrophobicContact CB-CD1 3.85Å; N720-L722 VanDerWaalsContact CG-CD1 3.48Å; N720-L722 WeakPolarHBondContact ND2-CD1 3.08Å; L722-N724 WeakPolarHBondContact CD2-OD1 3.36Å; L722-N724 VanDerWaalsContact CG-OD1 3.25Å; L722-N724 WeakPolarHBondContact CG-OD1 3.29Å; L722-L1120 HydrophobicContact CD1-CD2 4.45Å; L722-L1120 HydrophobicContact CD2-CD1 4.22Å; L722-L1120 HydrophobicContact CD2-CD2 3.94Å
723	K	29.5	Very low	27.1	Very low	181 Å²	181	125 Å²	125	79%	0.787	69%	0.69	S	S	*	*				-137.7	110.5	63.3	-75.6	-178.8	175.2	-179.2	0	115.3
724	N	29.6	Very low	26.9	Very low	124 Å²	124	127.3 Å²	127.3	66%	0.663	70%	0.697	S	S	*	*				40.4	112.6	123.5	-71	12.4	0	0	0	119.6	L722	L722-N724 WeakPolarHBondContact CD2-OD1 3.36Å; L722-N724 VanDerWaalsContact CG-OD1 3.25Å; L722-N724 WeakPolarHBondContact CG-OD1 3.29Å
725	H	26.8	Very low	26.7	Very low	193 Å²	193	129.7 Å²	129.7	89%	0.894	71%	0.71	S	S	*	*			trans	-37.4	157.9	134.8	-62.2	-96.9	0	0	0	114.4
726	G	24.5	Very low	26.7	Very low	77 Å²	77	131 Å²	131	79%	0.794	72%	0.718	S	S	*	*			trans	137.3	93.5	132.7	0	0	0	0	0	116.7
727	S	23.5	Very low	26.5	Very low	116 Å²	116	129.2 Å²	129.2	81%	0.811	72%	0.72	S	S	*	*				-168.2	169.8	125.9	-160.1	0	0	0	0	110.8
728	L	24.3	Very low	26.5	Very low	171 Å²	171	126 Å²	126	90%	0.895	71%	0.709	S	S	*	*			trans	-62	140.5	165.3	-65	71.7	0	0	0	109.5
729	G	22.1	Very low	26.5	Very low	74 Å²	74	122.8 Å²	122.8	76%	0.763	71%	0.706	S	S	*	*			trans	-166.2	162.2	177.2	0	0	0	0	0	110.2
730	A	22.5	Very low	26.6	Very low	86 Å²	86	119.2 Å²	119.2	71%	0.711	69%	0.692	S	S	*	*			trans	-77.5	-174.2	175.6	0	0	0	0	0	111.9
731	D	22.1	Very low	26.5	Very low	132 Å²	132	119.6 Å²	119.6	71%	0.706	69%	0.694	S	S	*	*			trans	75.9	156.6	160	-55.4	-25.3	0	0	0	118.1
732	L	25	Very low	26.2	Very low	127 Å²	127	116.1 Å²	116.1	67%	0.665	69%	0.687	S	S	*	*			cis	-164.7	122.8	-28.4	-105.3	168.7	0	0	0	105.3
733	S	23.5	Very low	26.1	Very low	117 Å²	117	120 Å²	120	82%	0.818	71%	0.707	S	S	*	*			trans	-159.6	23.5	168.9	51.6	0	0	0	0	115.5	H735	S733-H735 PolarHBondContact O-N 2.82Å
734	S	26	Very low	25.8	Very low	108 Å²	108	119.7 Å²	119.7	76%	0.755	71%	0.712	S	S	*	*			trans	-73.7	61.9	168.5	46.3	0	0	0	0	111.7	D736	S734-D736 PolarHBondContact O-N 2.9Å
735	H	26	Very low	25.5	Very low	187 Å²	187	118.1 Å²	118.1	87%	0.866	70%	0.702	S	S	*	*			trans	-77.6	37.4	-174.1	-141.4	-35.2	0	0	0	113.4	S733 G737	S733-H735 PolarHBondContact O-N 2.82Å; H735-G737 PolarHBondContact O-N 2.95Å
736	D	30	Very low	25.3	Very low	105 Å²	105	118.3 Å²	118.3	56%	0.561	70%	0.704	S	S	*	*			trans	-79.6	55.5	-172.7	-140.3	46.8	0	0	0	111.7	R503 S734 D738	R503-D736 IonicContact NH2-OD2 3.43Å; R503-D736 PolarHBondContact NH2-OD2 2.9Å; S734-D736 PolarHBondContact O-N 2.9Å; D736-D738 PolarHBondContact O-N 2.8Å
737	G	26.1	Very low	25.2	Very low	50 Å²	50	118 Å²	118	52%	0.515	70%	0.701	S	S	.	*			trans	-79.8	110.8	179.9	0	0	0	0	0	112.3	H735 M739	H735-G737 PolarHBondContact O-N 2.95Å; G737-M739 PolarHBondContact O-N 2.87Å
738	D	32.3	Very low	25.2	Very low	68 Å²	68	121.1 Å²	121.1	36%	0.364	70%	0.703	S	S	.	*			trans	-60.9	105.7	162.5	-74.3	-51.6	0	0	0	109.3	R467 R503 D736 E740	R467-D738 IonicContact CZ-OD1 3.53Å; R467-D738 IonicContact CZ-OD2 2.71Å; R467-D738 IonicContact NH1-OD1 3.74Å; R467-D738 IonicContact NH1-OD2 2.72Å; R467-D738 PolarHBondContact NH1-OD2 3.4Å; R467-D738 VanDerWaalsContact NH2-CG 3.27Å; R467-D738 IonicContact NH2-OD1 2.92Å; R467-D738 PolarHBondContact NH2-OD1 3.14Å; R467-D738 IonicContact NH2-OD2 3.7Å; R467-D738 PolarHBondContact NH2-OD2 2.92Å; R503-D738 IonicContact CZ-OD2 3.24Å; R503-D738 IonicContact NH1-OD1 3.01Å; R503-D738 IonicContact NH1-OD2 2.78Å; R503-D738 PolarHBondContact NH1-OD2 2.91Å; R503-D738 IonicContact NH2-OD2 2.67Å; D736-D738 PolarHBondContact O-N 2.8Å; D738-E740 HydrophobicContact CB-CG 4.48Å; D738-E740 PolarHBondContact O-N 3.27Å
739	M	28.6	Very low	25.1	Very low	159 Å²	159	123.7 Å²	123.7	78%	0.783	70%	0.702	S	S	*	*			trans	-70.7	70.6	170.1	-68.9	-171.7	-171	0	0	110.8	G737	G737-M739 PolarHBondContact O-N 2.87Å
740	E	31.5	Very low	25.2	Very low	101 Å²	101	126 Å²	126	47%	0.472	71%	0.706	S	S	.	*			trans	-119.9	6.6	177.3	-65.7	-163.5	152.9	0	0	113.6	D738	D738-E740 HydrophobicContact CB-CG 4.48Å; D738-E740 PolarHBondContact O-N 3.27Å
741	N	26.1	Very low	25.3	Very low	135 Å²	135	129.6 Å²	129.6	72%	0.722	71%	0.708	S	S	*	*	S	Bend	trans	-137.3	29.7	177.5	-91.4	-29.9	0	0	0	113.5
742	A	22.9	Very low	25.4	Very low	71 Å²	71	129.4 Å²	129.4	59%	0.587	71%	0.712	S	S	*	*	S	Bend	trans	-145.5	132.2	173.7	0	0	0	0	0	111.9
743	I	25.6	Very low	25.5	Very low	138 Å²	138	135.5 Å²	135.5	71%	0.708	73%	0.726	S	S	*	*			trans	59.8	96.3	156.3	-55	168.4	0	0	0	116	I745	I743-I745 HydrophobicContact CG2-CB 4.08Å; I743-I745 VanDerWaalsContact CG2-N 3.34Å
744	I	22.9	Very low	25.6	Very low	174 Å²	174	138.2 Å²	138.2	89%	0.892	73%	0.726	S	S	*	*			trans	-100.6	66.2	143.9	-52.9	179.5	0	0	0	107.1
745	I	23	Very low	25.6	Very low	91 Å²	91	140.1 Å²	140.1	47%	0.467	73%	0.728	S	S	.	*			trans	-145	61.6	173.8	-44.7	175.5	0	0	0	108.9	T70 I743	T70-I745 HydrophobicContact CG2-CD1 3.52Å; I743-I745 HydrophobicContact CG2-CB 4.08Å; I743-I745 VanDerWaalsContact CG2-N 3.34Å
746	E	22.7	Very low	25.7	Very low	197 Å²	197	140.1 Å²	140.1	92%	0.921	73%	0.725	S	S	*	*			trans	-136	124.3	143	-80.2	-159.2	171.6	0	0	107.7
747	G	22.2	Very low	25.4	Very low	72 Å²	72	142.8 Å²	142.8	74%	0.742	74%	0.739	S	S	*	*			trans	-177.8	40.1	-169.9	0	0	0	0	0	110	Y749	G747-Y749 PolarHBondContact O-N 2.91Å
748	E	24.8	Very low	25.4	Very low	180 Å²	180	145.7 Å²	145.7	84%	0.841	75%	0.751	S	S	*	*			trans	-61.6	131.7	-179.6	-71.8	-161.9	138.5	0	0	110.7	S750	E748-S750 PolarHBondContact O-N 2.98Å
749	Y	21.9	Very low	24.9	Very low	226 Å²	226	148.4 Å²	148.4	89%	0.886	77%	0.77	S	S	*	*			trans	-62.9	127.1	165.4	-88.5	-115.4	0	0	0	109.4	G747	G747-Y749 PolarHBondContact O-N 2.91Å
750	S	24.7	Very low	24.8	Very low	122 Å²	122	147.3 Å²	147.3	85%	0.853	77%	0.772	S	S	*	*			trans	-130.7	140.1	149.5	-165.9	0	0	0	0	109.4	E748	E748-S750 PolarHBondContact O-N 2.98Å
751	Q	24.2	Very low	24.4	Very low	161 Å²	161	150 Å²	150	75%	0.752	79%	0.785	S	S	*	*			trans	-89.9	167	-164.3	-66.3	173.2	-23.6	0	0	112.3
752	T	23.8	Very low	24.2	Very low	129 Å²	129	150.7 Å²	150.7	79%	0.791	79%	0.788	S	S	*	*			trans	54.9	96.5	156.1	47.2	0	0	0	0	118.8
753	R	26.8	Very low	24.3	Very low	254 Å²	254	153.5 Å²	153.5	96%	0.958	80%	0.803	S	S	*	*				-161.5	123	109.1	-105.7	166.2	-173.4	-165.2	0.7	112.4
754	H	25.4	Very low	24.1	Very low	175 Å²	175	151.2 Å²	151.2	81%	0.81	81%	0.805	S	S	*	*			trans	-94.1	166.4	171.4	-102.3	-51.7	0	0	0	111.7
755	N	25.9	Very low	24.2	Very low	148 Å²	148	150 Å²	150	79%	0.791	80%	0.801	S	S	*	*			trans	79.5	123.8	168.9	-52.1	-32	0	0	0	115
756	K	27.6	Very low	24.2	Very low	187 Å²	187	151.7 Å²	151.7	81%	0.813	82%	0.819	S	S	*	*			cis	-143.5	157.7	22.4	-74.9	-177.2	175.7	178.6	0	112.6
757	L	24.3	Very low	24.4	Very low	161 Å²	161	149.8 Å²	149.8	84%	0.843	81%	0.813	S	S	*	*			trans	41.6	128.1	157.4	-77.5	75.9	0	0	0	117.7
758	S	25.5	Very low	24.5	Very low	111 Å²	111	152.2 Å²	152.2	78%	0.776	81%	0.809	S	S	*	*			cis	-150	155.4	47.8	51.3	0	0	0	0	114.1
759	T	22.6	Very low	24.6	Very low	125 Å²	125	149.6 Å²	149.6	77%	0.767	80%	0.799	S	S	*	*			trans	-91	110.1	-170.6	-42.3	0	0	0	0	113
760	V	25.5	Very low	24.7	Very low	135 Å²	135	144 Å²	144	82%	0.818	78%	0.784	S	S	*	*			trans	-133.2	115.3	156.2	-178.7	0	0	0	0	107.4
761	H	23.2	Very low	24.7	Very low	159 Å²	159	144.9 Å²	144.9	74%	0.736	78%	0.78	S	S	*	*			trans	-67.2	134.6	173.1	-86.3	-118.1	0	0	0	110.3
762	N	23.5	Very low	24.9	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	78%	0.783	S	S	*	*			trans	165.8	105.9	132	-84.6	-12.1	0	0	0	111.3
763	S	23.9	Very low	25	Very low	129 Å²	129	147.6 Å²	147.6	90%	0.902	78%	0.783	S	S	*	*			trans	163	67.1	147.5	42.5	0	0	0	0	112.1
764	A	21.9	Very low	25.2	Very low	91 Å²	91	144.4 Å²	144.4	75%	0.752	78%	0.779	S	S	*	*			trans	-144.6	25.1	176	0	0	0	0	0	114.3
765	D	24.3	Very low	25.3	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	78%	0.778	S	S	*	*			trans	-91	110.1	177.1	-70.2	-61.2	0	0	0	111.7	I767	D765-I767 PolarHBondContact O-N 2.83Å
766	C	23.7	Very low	25.5	Very low	125 Å²	125	141.9 Å²	141.9	85%	0.845	77%	0.772	S	S	*	*			trans	-65.5	122.7	164.2	-57.9	0	0	0	0	109.1
767	I	26.8	Very low	25.6	Very low	158 Å²	158	139.6 Å²	139.6	81%	0.81	77%	0.773	S	S	*	*			trans	-101	114.3	170.1	-60.3	-179.1	0	0	0	108.2	D765	D765-I767 PolarHBondContact O-N 2.83Å
768	L	23.3	Very low	25.8	Very low	123 Å²	123	139.9 Å²	139.9	64%	0.644	77%	0.767	S	S	*	*			trans	-60.8	163.5	177.3	-66.2	162.4	0	0	0	111.1	D770	L768-D770 VanDerWaalsContact CB-OD1 3.23Å; L768-D770 WeakPolarHBondContact CB-OD1 3.21Å; L768-D770 WeakPolarHBondContact CD1-OD1 3.16Å
769	I	26.6	Very low	25.9	Very low	124 Å²	124	137.8 Å²	137.8	64%	0.636	76%	0.763	S	S	*	*			trans	-98.2	92.2	154.2	-60.8	178.1	0	0	0	104.5	D771	I769-D771 PolarHBondContact O-N 3.43Å; I769-D771 VanDerWaalsContact O-N 3.13Å
770	D	24.8	Very low	26	Very low	108 Å²	108	140.1 Å²	140.1	58%	0.578	77%	0.77	S	S	*	*			trans	-74.9	98.8	174.3	-57	-57.6	0	0	0	108	L768 E772	L768-D770 VanDerWaalsContact CB-OD1 3.23Å; L768-D770 WeakPolarHBondContact CB-OD1 3.21Å; L768-D770 WeakPolarHBondContact CD1-OD1 3.16Å; D770-E772 PolarHBondContact O-N 3.23Å
771	D	25	Very low	26.2	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	77%	0.773	S	S	*	*			trans	-77	68.5	173.1	-79.8	-34.8	0	0	0	109.4	I769 H773	I769-D771 PolarHBondContact O-N 3.43Å; I769-D771 VanDerWaalsContact O-N 3.13Å; D771-H773 PolarHBondContact O-N 2.67Å
772	E	28.2	Very low	26.2	Very low	178 Å²	178	139.7 Å²	139.7	83%	0.832	78%	0.777	S	S	*	*			trans	-71.8	107.2	173.9	-70.3	-170.1	145.6	0	0	110.8	D770	D770-E772 PolarHBondContact O-N 3.23Å
773	H	26.5	Very low	26.3	Very low	170 Å²	170	138.4 Å²	138.4	79%	0.787	78%	0.775	S	S	*	*			trans	-85	114.5	163.7	-100.4	-101	0	0	0	109	D771	D771-H773 PolarHBondContact O-N 2.67Å
774	E	30.1	Very low	26.3	Very low	187 Å²	187	138.2 Å²	138.2	87%	0.874	76%	0.764	S	S	*	*			trans	-99.4	121.3	161.6	-71.4	-167.6	126.3	0	0	109.9
775	D	27.1	Very low	26.6	Very low	149 Å²	149	141.7 Å²	141.7	80%	0.797	77%	0.769	S	S	*	*			trans	-93.3	97.4	173	-76	-45.8	0	0	0	110	V777	D775-V777 PolarHBondContact O-N 2.82Å
776	D	30.5	Very low	26.6	Very low	121 Å²	121	138 Å²	138	65%	0.647	77%	0.767	S	S	*	*			trans	-93	94.7	-179.1	-168.3	23.1	0	0	0	111.4	K778	D776-K778 VanDerWaalsContact OD2-CE 3.24Å; D776-K778 WeakPolarHBondContact OD2-CE 3.24Å; D776-K778 IonicContact OD2-NZ 3.19Å; D776-K778 PolarHBondContact OD2-NZ 2.83Å
777	V	30.7	Very low	26.9	Very low	138 Å²	138	139 Å²	139	84%	0.836	77%	0.768	S	S	*	*			trans	-100.3	109.5	175	178.2	0	0	0	0	110.2	D775	D775-V777 PolarHBondContact O-N 2.82Å
778	K	27.4	Very low	26.7	Very low	168 Å²	168	138.1 Å²	138.1	73%	0.73	77%	0.765	S	S	*	*			trans	-100.9	136.8	179.2	-72.8	179.8	177.7	158.6	0	113.7	D776	D776-K778 VanDerWaalsContact OD2-CE 3.24Å; D776-K778 WeakPolarHBondContact OD2-CE 3.24Å; D776-K778 IonicContact OD2-NZ 3.19Å; D776-K778 PolarHBondContact OD2-NZ 2.83Å
779	G	28.5	Very low	27.2	Very low	67 Å²	67	139.2 Å²	139.2	69%	0.691	78%	0.777	S	S	*	*			trans	171.8	84.1	170.8	0	0	0	0	0	109.2
780	L	24.6	Very low	27.2	Very low	174 Å²	174	140.1 Å²	140.1	91%	0.911	78%	0.783	S	S	*	*				69.3	100.1	82.2	-70.5	172.8	0	0	0	114.2
781	A	29	Very low	27.4	Very low	105 Å²	105	140.5 Å²	140.5	87%	0.868	79%	0.785	S	S	*	*			trans	-167.1	141.9	134.5	0	0	0	0	0	111.2
782	E	24.6	Very low	27.5	Very low	179 Å²	179	141.8 Å²	141.8	84%	0.836	78%	0.784	S	S	*	*			trans	-99.7	163.8	177.6	-67.2	151.2	137.6	0	0	110.4
783	T	25.5	Very low	27.5	Very low	122 Å²	122	141 Å²	141	75%	0.748	78%	0.78	S	S	*	*			cis	-131.5	-85.5	-14.9	1.4	0	0	0	0	112
784	D	24	Very low	27.4	Very low	125 Å²	125	137.6 Å²	137.6	67%	0.668	78%	0.775	S	S	*	*			cis	-162.8	170.2	-24.6	-147.3	-79.3	0	0	0	111
785	L	28	Very low	27.4	Very low	165 Å²	165	137.3 Å²	137.3	86%	0.864	78%	0.779	S	S	*	*			trans	60.2	133.3	-179	-51.4	177.3	0	0	0	116.9
786	G	23.9	Very low	27.3	Very low	72 Å²	72	140 Å²	140	74%	0.742	78%	0.778	S	S	*	*			cis	137.8	127.6	-6.7	0	0	0	0	0	112.7
787	V	28.8	Very low	27.1	Very low	145 Å²	145	140 Å²	140	88%	0.879	78%	0.777	S	S	*	*			trans	176.1	141.9	154.2	140.8	0	0	0	0	110.8
788	D	24.2	Very low	26.9	Very low	140 Å²	140	141.3 Å²	141.3	75%	0.749	77%	0.768	S	S	*	*			trans	-88.4	168.9	-175.6	-46.6	-93.1	0	0	0	115.1
789	T	33.2	Very low	26.9	Very low	145 Å²	145	139.9 Å²	139.9	89%	0.89	76%	0.764	S	S	*	*				-170.5	170.4	119.5	18.6	0	0	0	0	112.8
790	N	26.4	Very low	27.1	Very low	144 Å²	144	141.3 Å²	141.3	77%	0.77	76%	0.763	S	S	*	*			trans	-105.8	174.9	-157.9	-72.9	-54.6	0	0	0	116.5
791	D	28.8	Very low	27.1	Very low	115 Å²	115	138.8 Å²	138.8	62%	0.615	75%	0.747	S	S	*	*			trans	95.1	101.4	142.9	-77.5	-54	0	0	0	122.1
792	K	28.3	Very low	27.2	Very low	168 Å²	168	143.5 Å²	143.5	73%	0.73	74%	0.742	S	S	*	*				51.9	142.1	116.7	-66.8	-169.5	-162.7	86.4	0	122.2
793	H	27.6	Very low	27.6	Very low	161 Å²	161	141.9 Å²	141.9	75%	0.745	74%	0.739	S	S	*	*			trans	62.5	107	158.3	-72.9	-56.4	0	0	0	117.8
794	S	25.1	Very low	27.6	Very low	99 Å²	99	143.1 Å²	143.1	69%	0.692	74%	0.741	S	S	*	*				72.2	87.8	75.6	-59.1	0	0	0	0	113.6
795	L	28.8	Very low	27.8	Very low	181 Å²	181	144.5 Å²	144.5	95%	0.948	75%	0.748	S	S	*	*			trans	-122.7	144.9	139.3	-102.1	168.9	0	0	0	109.2
796	R	24.8	Very low	27.6	Very low	207 Å²	207	143 Å²	143	78%	0.781	74%	0.741	S	S	*	*			trans	-163.8	150.6	-158.2	-170.3	-159.1	-171.7	-160.5	5.9	107
797	I	25.9	Very low	27.7	Very low	120 Å²	120	146.3 Å²	146.3	62%	0.615	75%	0.746	S	S	*	*			trans	68.4	135	177.7	-27.7	176.9	0	0	0	109
798	Y	27.8	Very low	27.5	Very low	165 Å²	165	144.6 Å²	144.6	65%	0.647	74%	0.736	S	S	*	*				-166.1	170.3	64.9	-84.6	-79.2	0	0	0	110.1
799	E	28	Very low	27.8	Very low	139 Å²	139	147 Å²	147	65%	0.65	74%	0.74	S	S	*	*	S	Bend	cis	-144.9	172.7	2.7	-135.5	118.7	-152.6	0	0	105.6	E801	E799-E801 HydrophobicContact CG-CG 4.27Å
800	S	31.1	Very low	27.6	Very low	97 Å²	97	146.5 Å²	146.5	68%	0.678	73%	0.732	S	S	*	*			cis	-152.2	121.5	8.7	53.9	0	0	0	0	106.7
801	E	26.3	Very low	27.6	Very low	120 Å²	120	143.5 Å²	143.5	56%	0.561	72%	0.723	S	S	*	*				90.4	161.9	67.1	-83.7	-156.7	146.7	0	0	114.4	E799	E799-E801 HydrophobicContact CG-CG 4.27Å
802	R	31.2	Very low	27.7	Very low	204 Å²	204	147.5 Å²	147.5	77%	0.77	74%	0.735	S	S	*	*			trans	85.7	128.7	165.5	-51.6	-169.6	-177.4	162.3	3.3	116.4
803	N	31.5	Very low	27.7	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	73%	0.731	S	S	*	*			cis	-150.9	156.5	-8.1	-117.5	-8.8	0	0	0	112.9
804	N	25.8	Very low	27.9	Very low	147 Å²	147	144 Å²	144	79%	0.786	73%	0.73	S	S	*	*			trans	-68.4	166.4	169.8	-83.2	-41.2	0	0	0	112
805	L	28.5	Very low	28	Very low	155 Å²	155	143.3 Å²	143.3	81%	0.812	73%	0.725	S	S	*	*			trans	-53.5	147.5	157.7	-53.9	91.9	0	0	0	110.6
806	N	24.5	Very low	28.4	Very low	134 Å²	134	139 Å²	139	72%	0.717	71%	0.708	S	S	*	*				-178.6	128.2	128.2	-95.2	-23.6	0	0	0	113.2	T808	N806-T808 HydrophobicContact CB-CG2 4.16Å; N806-T808 WeakPolarHBondContact OD1-CG2 3.33Å
807	T	25.9	Very low	28.6	Very low	140 Å²	140	139.9 Å²	139.9	86%	0.859	71%	0.711	S	S	*	*			trans	-176.6	81.4	146.3	32.1	0	0	0	0	105.6
808	T	23.5	Very low	28.5	Very low	109 Å²	109	140.7 Å²	140.7	67%	0.669	72%	0.716	S	S	*	*				58.8	72.2	58.9	77	0	0	0	0	115.1	N806	N806-T808 HydrophobicContact CB-CG2 4.16Å; N806-T808 WeakPolarHBondContact OD1-CG2 3.33Å
809	K	30.3	Very low	28.7	Very low	190 Å²	190	137.8 Å²	137.8	83%	0.826	72%	0.716	S	S	*	*			trans	-149.7	147.6	150.9	-71.6	-171.4	-179.1	178.5	0	105.4
810	N	29.1	Very low	28.7	Very low	136 Å²	136	136.2 Å²	136.2	73%	0.727	72%	0.716	S	S	*	*			cis	-154.5	129	-4	-110.8	19.3	0	0	0	104.9
811	S	27.7	Very low	28.5	Very low	81 Å²	81	137.1 Å²	137.1	57%	0.566	72%	0.717	S	S	*	*				84.3	110.2	75.1	82.9	0	0	0	0	114
812	F	29.1	Very low	28.7	Very low	199 Å²	199	136.8 Å²	136.8	87%	0.873	72%	0.724	S	S	*	*			trans	62.3	136.6	164.1	-65.2	-102.7	0	0	0	117.5
813	D	28.7	Very low	28.4	Very low	121 Å²	121	134.8 Å²	134.8	65%	0.647	72%	0.723	S	S	*	*			cis	-147.9	-131.3	-16.9	-155.4	35.7	0	0	0	107.8
814	N	31.6	Very low	28.2	Very low	135 Å²	135	133.9 Å²	133.9	72%	0.722	71%	0.714	S	S	*	*			cis	-147.4	125.8	-1.2	-164.3	-129.4	0	0	0	113.3
815	S	27.2	Very low	28.2	Very low	84 Å²	84	134.1 Å²	134.1	59%	0.587	71%	0.708	S	S	*	*			trans	5.8	158.2	134	-108.3	0	0	0	0	121.3
816	P	38.3	Very low	28.2	Very low	91 Å²	91	136.2 Å²	136.2	59%	0.591	71%	0.711	S	S	*	*			cis	-148.5	-164.2	-41.5	38.9	-18.7	0	0	0	113.5
817	R	28.1	Very low	28.4	Very low	224 Å²	224	134 Å²	134	85%	0.845	71%	0.711	S	S	*	*			trans	73.4	149.7	149	-79.3	176.4	-164.1	-176.5	4.9	117.9
818	N	25.2	Very low	28.7	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	71%	0.71	S	S	*	*			cis	-168.3	-175.3	-23.2	-141.5	6.5	0	0	0	110.2
819	V	30.3	Very low	28.9	Very low	105 Å²	105	137.1 Å²	137.1	64%	0.636	71%	0.711	S	S	*	*			trans	76.2	101.1	139.7	161	0	0	0	0	119.9
820	T	29	Very low	28.8	Very low	106 Å²	106	132.2 Å²	132.2	65%	0.65	70%	0.701	S	S	*	*				63.3	137	127	71.2	0	0	0	0	125.1
821	T	27.3	Very low	28.5	Very low	115 Å²	115	133.4 Å²	133.4	71%	0.706	71%	0.706	S	S	*	*			trans	69.7	161.2	131.8	54	0	0	0	0	121.9
822	T	29.8	Very low	28.5	Very low	113 Å²	113	133.3 Å²	133.3	69%	0.693	71%	0.705	S	S	*	*			trans	60.2	104.5	160.5	42.7	0	0	0	0	115.8
823	E	25.7	Very low	28.6	Very low	162 Å²	162	133.1 Å²	133.1	76%	0.757	70%	0.704	S	S	*	*				74.6	112.7	72.1	-74.6	-161.4	134.8	0	0	114.2
824	E	25.7	Very low	28.6	Very low	128 Å²	128	131.4 Å²	131.4	60%	0.598	70%	0.702	S	S	*	*				83.8	139.1	126.7	-71.4	-154.7	124.7	0	0	123.7
825	K	27.7	Very low	28.4	Very low	151 Å²	151	133.9 Å²	133.9	66%	0.657	71%	0.709	S	S	*	*			trans	67.5	98	139.8	-72.3	164.9	-177.5	149.9	0	119.8
826	K	28.3	Very low	28.2	Very low	200 Å²	200	137.6 Å²	137.6	87%	0.87	72%	0.722	S	S	*	*				39.6	103.7	102.1	-64.2	-179.7	175.2	-178.1	0	117
827	A	27.9	Very low	27.9	Very low	86 Å²	86	138.1 Å²	138.1	71%	0.711	73%	0.725	S	S	*	*			trans	-127.3	147.3	133.1	0	0	0	0	0	106.6	I829	A827-I829 HydrophobicContact CB-CD1 4.28Å
828	E	32.4	Very low	27.8	Very low	181 Å²	181	134 Å²	134	85%	0.846	72%	0.719	S	S	*	*			cis	-118.2	149.3	2.1	-70.1	177.5	126.2	0	0	109.7
829	I	27.8	Very low	27.9	Very low	134 Å²	134	133.5 Å²	133.5	69%	0.687	72%	0.72	S	S	*	*			cis	80.3	122.6	37.1	-60.9	168.3	0	0	0	111.1	A827	A827-I829 HydrophobicContact CB-CD1 4.28Å
830	S	27	Very low	27.7	Very low	87 Å²	87	133.1 Å²	133.1	61%	0.608	72%	0.722	S	S	*	*			cis	-165.5	169.5	-13	61	0	0	0	0	112.8
831	L	23.9	Very low	27.5	Very low	161 Å²	161	135 Å²	135	84%	0.843	73%	0.728	S	S	*	*			trans	38.7	134.8	137.1	-64.3	163.8	0	0	0	118.9
832	S	28.4	Very low	27.4	Very low	79 Å²	79	133.5 Å²	133.5	55%	0.552	72%	0.722	S	S	*	*				-176.6	162.2	52.8	68.2	0	0	0	0	113.2
833	K	30.2	Very low	27.3	Very low	195 Å²	195	132.9 Å²	132.9	85%	0.848	72%	0.723	S	S	*	*			trans	65.6	156.3	154.6	-66.8	162.3	-172.6	171.7	0	117
834	S	28	Very low	27.2	Very low	86 Å²	86	132.4 Å²	132.4	60%	0.601	73%	0.725	S	S	*	*			cis	-166.9	166.1	-25.3	50.3	0	0	0	0	110.3
835	Q	29.3	Very low	27.2	Very low	186 Å²	186	131.7 Å²	131.7	87%	0.869	73%	0.729	S	S	*	*			trans	73.5	147.2	157.6	-70.7	162.5	-39.7	0	0	119.8
836	L	21.7	Very low	27.1	Very low	163 Å²	163	130.7 Å²	130.7	85%	0.853	73%	0.731	S	S	*	*			trans	-75.3	178	159.7	-63.2	156.8	0	0	0	109.5
837	P	32.7	Very low	26.9	Very low	102 Å²	102	126.6 Å²	126.6	66%	0.662	72%	0.722	S	S	*	*			cis	-131.7	-150.7	-22.7	20.7	6	0	0	0	111
838	I	25.3	Very low	27	Very low	138 Å²	138	129 Å²	129	71%	0.708	72%	0.721	S	S	*	*			trans	97.9	128.3	149	-56.9	164.5	0	0	0	118
839	T	27.5	Very low	26.9	Very low	125 Å²	125	126.6 Å²	126.6	77%	0.767	72%	0.715	S	S	*	*			trans	57.9	121.2	161	52.2	0	0	0	0	122.8
840	S	25.3	Very low	26.8	Very low	97 Å²	97	126.5 Å²	126.5	68%	0.678	72%	0.716	S	S	*	*			trans	-42.7	150.5	135.6	50.9	0	0	0	0	112.6
841	N	26	Very low	27	Very low	145 Å²	145	129 Å²	129	78%	0.775	72%	0.721	S	S	*	*				-173.1	168.5	64.7	-143.1	-2	0	0	0	114
842	S	25.7	Very low	27.3	Very low	84 Å²	84	127.5 Å²	127.5	59%	0.587	71%	0.714	S	S	*	*			trans	32.3	109.1	148.6	64.1	0	0	0	0	120.9
843	S	26	Very low	27.5	Very low	100 Å²	100	127.9 Å²	127.9	70%	0.699	72%	0.716	S	S	*	*				30.7	137.7	122.6	63.9	0	0	0	0	121.5
844	L	24.7	Very low	27.4	Very low	152 Å²	152	122.6 Å²	122.6	80%	0.796	70%	0.703	S	S	*	*				170.2	164.1	108.6	-92.1	168.3	0	0	0	111.3
845	V	25.2	Very low	27.4	Very low	113 Å²	113	128 Å²	128	69%	0.685	71%	0.71	S	S	*	*			trans	60.7	126	139	160	0	0	0	0	117.8
846	N	25	Very low	27.3	Very low	131 Å²	131	125.7 Å²	125.7	70%	0.701	70%	0.704	S	S	*	*			cis	-175.5	170.4	5.1	-128	-3	0	0	0	113.2
847	V	26	Very low	27.6	Very low	113 Å²	113	124.4 Å²	124.4	69%	0.685	70%	0.702	S	S	*	*			trans	72.8	156.4	137.7	163.1	0	0	0	0	120.3
848	I	29.4	Very low	27.5	Very low	136 Å²	136	125 Å²	125	70%	0.697	70%	0.704	S	S	*	*			trans	78.4	93.2	166	-85.2	160	0	0	0	117.2
849	N	29.1	Very low	27.7	Very low	132 Å²	132	124.4 Å²	124.4	71%	0.706	70%	0.702	S	S	*	*				70.7	123.2	125.7	-59.1	-7.4	0	0	0	119.3
850	N	27.6	Very low	27.9	Very low	132 Å²	132	125.7 Å²	125.7	71%	0.706	70%	0.699	S	S	*	*				79.9	154.7	55.1	-163.7	29.6	0	0	0	111.8
851	I	30.7	Very low	28.3	Very low	139 Å²	139	130.3 Å²	130.3	71%	0.713	71%	0.707	S	S	*	*			trans	73.4	130.6	167	-77.5	159.7	0	0	0	116.1
852	D	29.9	Very low	28.5	Very low	130 Å²	130	127.5 Å²	127.5	70%	0.695	70%	0.704	S	S	*	*			cis	-169.8	-178.5	-12.7	-151.7	-5.6	0	0	0	112.6
853	S	32	Very low	28.7	Very low	87 Å²	87	133.3 Å²	133.3	61%	0.608	72%	0.722	S	S	*	*			trans	75.5	158.4	141.9	-81	0	0	0	0	119.7
854	C	29	Very low	28.9	Very low	83 Å²	83	135.6 Å²	135.6	56%	0.561	72%	0.721	S	S	*	*			cis	175.9	168.3	-21.8	-99.2	0	0	0	0	105.9
855	R	27.9	Very low	29.7	Very low	201 Å²	201	133.4 Å²	133.4	76%	0.758	72%	0.716	S	S	*	*			cis	-165.4	143.8	-17.4	-115	169.8	-179.9	133.9	-4.5	107.9
856	N	25.8	Very low	29.9	Very low	137 Å²	137	134 Å²	134	73%	0.733	72%	0.719	S	S	*	*			trans	48.2	167.8	133.9	-55.4	5.9	0	0	0	123.5
857	V	29.9	Very low	30.2	Very low	136 Å²	136	134 Å²	134	82%	0.824	71%	0.713	S	S	*	*			trans	92.6	128.2	153.8	-174.8	0	0	0	0	117.2
858	V	29.4	Very low	30.4	Very low	115 Å²	115	134.9 Å²	134.9	70%	0.697	71%	0.71	S	S	*	*			cis	-167.4	163.1	-28.5	89.9	0	0	0	0	110.8
859	D	29.1	Very low	30.2	Very low	125 Å²	125	138 Å²	138	67%	0.668	71%	0.714	S	S	*	*			trans	67	156.7	160.5	-78.9	-30	0	0	0	121
860	H	33	Very low	30	Very low	151 Å²	151	136 Å²	136	70%	0.699	71%	0.711	S	S	*	*			cis	-154.8	166	5.6	-134.6	16.5	0	0	0	113.4
861	K	32.4	Very low	29.9	Very low	194 Å²	194	137.9 Å²	137.9	84%	0.843	71%	0.713	S	S	*	*			trans	68.4	157.4	166.7	-62	178.3	-177.7	-179.8	0	119.2
862	A	30.5	Very low	29.7	Very low	87 Å²	87	139 Å²	139	72%	0.719	72%	0.72	S	S	*	*			cis	-175.3	117.4	-38	0	0	0	0	0	110
863	E	30.9	Very low	29.6	Very low	205 Å²	205	138.9 Å²	138.9	96%	0.958	72%	0.718	S	S	*	*			trans	-173.5	113.7	137.3	-108.7	173.2	-160.7	0	0	110.4
864	E	28.5	Very low	29.4	Very low	149 Å²	149	144.3 Å²	144.3	70%	0.696	73%	0.726	S	S	*	*			trans	-99	-178.1	166.6	-122.5	-154.3	-137.3	0	0	107.9
865	P	41.7	Very low	29.3	Very low	105 Å²	105	144.7 Å²	144.7	68%	0.682	74%	0.735	S	S	*	*			cis	-119.8	176	14.1	35.2	-14.4	0	0	0	113.1
866	V	30.6	Very low	29.2	Very low	125 Å²	125	144.5 Å²	144.5	76%	0.758	74%	0.74	S	S	*	*			cis	-159.7	-154	45.9	71.9	0	0	0	0	114.4
867	K	31.4	Very low	29.5	Very low	131 Å²	131	143.1 Å²	143.1	57%	0.57	74%	0.739	S	S	*	*			trans	-142	162.3	-135	-76.6	166.9	151.7	-77.2	0	111.2
868	E	28.9	Very low	29.2	Very low	133 Å²	133	143.8 Å²	143.8	62%	0.621	74%	0.736	S	S	*	*			cis	-157.8	171.7	-7.8	-102.9	162.4	143.5	0	0	105.9
869	Y	25.2	Very low	29.1	Very low	200 Å²	200	147 Å²	147	78%	0.784	74%	0.743	S	S	*	*				53.8	150.7	54.4	-77.4	-77.5	0	0	0	113.2
870	S	25.7	Very low	28.9	Very low	92 Å²	92	147.6 Å²	147.6	64%	0.643	75%	0.747	S	S	*	*			cis	-143.3	145.6	13.1	-70.2	0	0	0	0	114.7
871	K	25.3	Very low	28.6	Very low	170 Å²	170	147.3 Å²	147.3	74%	0.739	75%	0.75	S	S	*	*			trans	23.6	131.8	131.2	-52	168.5	-177.2	170	0	121
872	L	26.9	Very low	28.3	Very low	164 Å²	164	142.4 Å²	142.4	86%	0.859	74%	0.74	S	S	*	*				-174.8	150.5	129.4	-89.6	142.5	0	0	0	107.2
873	I	28.4	Very low	28.3	Very low	126 Å²	126	145.2 Å²	145.2	65%	0.646	75%	0.749	S	S	*	*			cis	-159.4	147.5	-36.5	-125.4	-163.5	0	0	0	107.7
874	Y	27.4	Very low	28.2	Very low	201 Å²	201	138.8 Å²	138.8	79%	0.788	74%	0.738	S	S	*	*			trans	53.2	125.6	160.7	-77.6	-112.6	0	0	0	124
875	A	25.9	Very low	28.2	Very low	91 Å²	91	139.3 Å²	139.3	75%	0.752	74%	0.74	S	S	*	*				52.6	136.9	122.4	0	0	0	0	0	124.5
876	K	26.5	Very low	27.7	Very low	198 Å²	198	139.8 Å²	139.8	86%	0.861	74%	0.737	S	S	*	*			trans	-64.8	157.5	147.9	-73.8	-178.3	177.7	-179.2	0	109.7
877	P	32.4	Very low	27.6	Very low	108 Å²	108	140.6 Å²	140.6	70%	0.701	74%	0.736	S	S	*	*			cis	-156.2	-176.2	45	45.4	-24.1	0	0	0	119.1
878	I	22.9	Very low	27.4	Very low	149 Å²	149	140.3 Å²	140.3	76%	0.764	75%	0.745	S	S	*	*			trans	51.4	111.6	151.9	-63	151.2	0	0	0	120
879	Q	27.4	Very low	27.6	Very low	182 Å²	182	139.5 Å²	139.5	85%	0.85	75%	0.754	S	S	*	*				-177.5	129.9	122.3	-93.2	175.5	31.6	0	0	106.2
880	N	24.4	Very low	27.8	Very low	139 Å²	139	133.5 Å²	133.5	74%	0.743	75%	0.753	S	S	*	*				72.8	132.3	64.5	-87.7	13.5	0	0	0	115.3
881	N	27.6	Very low	28.1	Very low	144 Å²	144	138.1 Å²	138.1	77%	0.77	76%	0.761	S	S	*	*			trans	68.4	127.4	170.6	-57.4	-1.9	0	0	0	115.8
882	S	25.9	Very low	28.4	Very low	92 Å²	92	137.9 Å²	137.9	64%	0.643	76%	0.763	S	S	*	*			cis	98.3	149.4	25.1	78.4	0	0	0	0	114.2
883	T	30.8	Very low	28.6	Very low	146 Å²	146	137.2 Å²	137.2	90%	0.896	77%	0.766	S	S	*	*			trans	67.2	153.3	-158.9	83.7	0	0	0	0	111.8
884	G	27.7	Very low	28.7	Very low	70 Å²	70	134.5 Å²	134.5	72%	0.722	77%	0.769	S	S	*	*			cis	169.6	158.3	-0.8	0	0	0	0	0	106.7
885	Q	30.1	Very low	28.8	Very low	160 Å²	160	132.5 Å²	132.5	75%	0.748	77%	0.767	S	S	*	*			cis	-163.4	176.8	5.7	-138.4	-179.5	-85.9	0	0	109
886	D	30.1	Very low	29	Very low	115 Å²	115	135.8 Å²	135.8	62%	0.615	76%	0.764	S	S	*	*			trans	67.9	154.1	152.8	-57.3	-13	0	0	0	121
887	L	29	Very low	29	Very low	141 Å²	141	132.4 Å²	132.4	74%	0.738	76%	0.755	S	S	*	*			cis	-158.4	121.4	-23.6	-107	169.1	0	0	0	111.1
888	V	27.7	Very low	28.9	Very low	126 Å²	126	136 Å²	136	76%	0.764	76%	0.759	S	S	*	*			trans	56.3	150.7	131.7	168	0	0	0	0	123.9
889	S	32	Very low	29.1	Very low	116 Å²	116	135.9 Å²	135.9	81%	0.811	76%	0.76	S	S	*	*			trans	86.8	128.3	174.4	74	0	0	0	0	116.4
890	G	30.1	Very low	29	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	76%	0.759	S	S	*	*			cis	104.6	119.2	-0.1	0	0	0	0	0	112
891	K	32.2	Very low	29	Very low	188 Å²	188	131.6 Å²	131.6	82%	0.817	76%	0.76	S	S	*	*			cis	-147.9	141.7	42.7	-79.4	177.7	175.3	179	0	111.8
892	E	30.6	Very low	29	Very low	166 Å²	166	132.9 Å²	132.9	78%	0.776	77%	0.765	S	S	*	*				69.3	126.7	81.4	-58.5	-177.9	124.6	0	0	118.2
893	T	31	Very low	29.1	Very low	149 Å²	149	133.6 Å²	133.6	91%	0.914	77%	0.77	S	S	*	*			trans	-173.3	116.6	134.1	11	0	0	0	0	113.3
894	G	30.1	Very low	29.1	Very low	69 Å²	69	137.7 Å²	137.7	71%	0.711	77%	0.769	S	S	*	*			trans	65.5	154.8	157	0	0	0	0	0	120.7
895	Q	31.5	Very low	29.3	Very low	160 Å²	160	139.6 Å²	139.6	75%	0.748	77%	0.767	S	S	*	*			cis	-162	116.2	-14	-164.7	73.5	-1.1	0	0	110.4
896	F	29.2	Very low	29.2	Very low	159 Å²	159	139.9 Å²	139.9	70%	0.697	77%	0.774	S	S	*	*			trans	49.6	128.1	155.5	-72.7	-110.4	0	0	0	121.4
897	I	27.3	Very low	29.3	Very low	128 Å²	128	141.9 Å²	141.9	66%	0.656	78%	0.783	S	S	*	*				76	128	57.8	-69.9	170.9	0	0	0	111.9
898	K	28.6	Very low	29.4	Very low	183 Å²	183	139.8 Å²	139.8	80%	0.796	78%	0.781	S	S	*	*			cis	-155.4	179.7	14.9	-136.5	165.4	-156.1	168.1	0	114.7
899	D	27.3	Very low	29.5	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	78%	0.781	S	S	*	*			trans	-103.9	160	-166.1	-35.5	-102.4	0	0	0	117.4
900	S	26.1	Very low	29.5	Very low	120 Å²	120	142.6 Å²	142.6	84%	0.839	78%	0.778	S	S	*	*			trans	58.8	158.1	136	-157.2	0	0	0	0	122.6
901	C	24.2	Very low	29.6	Very low	112 Å²	112	144.9 Å²	144.9	76%	0.757	77%	0.769	S	S	*	*			trans	-101.9	155.1	-173.9	-49.1	0	0	0	0	114.2
902	I	27.4	Very low	29.3	Very low	171 Å²	171	143.3 Å²	143.3	88%	0.877	77%	0.769	S	S	*	*			trans	157.5	160.3	135.4	-81.3	162.2	0	0	0	110.3
903	S	28.8	Very low	29.3	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	76%	0.763	S	S	*	*			trans	-125.1	177.5	-153.7	-39.6	0	0	0	0	115.9
904	R	30.2	Very low	29.3	Very low	232 Å²	232	141.6 Å²	141.6	88%	0.875	76%	0.755	S	S	*	*			trans	91.4	153.7	163.9	-57.5	-170.8	174.7	-178.5	-2.6	117.6
905	T	31.5	Very low	29.4	Very low	110 Å²	110	145 Å²	145	68%	0.675	76%	0.757	S	S	*	*			cis	-173.4	161.8	-30.3	36.5	0	0	0	0	108
906	N	28.4	Very low	29.4	Very low	166 Å²	166	143.5 Å²	143.5	89%	0.888	75%	0.752	S	S	*	*			trans	-155.6	160.9	158.4	-98.5	-25.6	0	0	0	112.6
907	L	31.6	Very low	29.4	Very low	157 Å²	157	143.7 Å²	143.7	82%	0.822	76%	0.755	S	S	*	*			trans	-138.4	-164	-175.8	-56.5	94.8	0	0	0	109.8
908	S	31.7	Very low	29.6	Very low	97 Å²	97	143.4 Å²	143.4	68%	0.678	76%	0.755	S	S	*	*			cis	-168.4	-178.3	13.9	41.3	0	0	0	0	111.6
909	T	30.6	Very low	29.6	Very low	126 Å²	126	140.6 Å²	140.6	77%	0.773	75%	0.749	S	S	*	*			trans	79.1	164.1	172.1	76.8	0	0	0	0	115.8
910	K	31.6	Very low	29.8	Very low	174 Å²	174	141.2 Å²	141.2	76%	0.757	75%	0.745	S	S	*	*			cis	-144.4	167.4	9.3	-151	-170.3	171.3	-150.9	0	115
911	E	30.8	Very low	29.9	Very low	122 Å²	122	142 Å²	142	57%	0.57	74%	0.739	S	S	*	*			trans	-89.6	173.2	176.4	-22.9	71.4	50.1	0	0	113.3
912	L	27.7	Very low	30.1	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	74%	0.735	S	S	*	*			cis	-165.2	-169.3	0.7	-134	172	0	0	0	109.6
913	N	30.4	Very low	30.1	Very low	122 Å²	122	140.4 Å²	140.4	65%	0.652	73%	0.729	S	S	*	*			trans	71.5	144.5	166	-76.3	6.1	0	0	0	118.5
914	Q	30.9	Very low	30.1	Very low	158 Å²	158	140.1 Å²	140.1	74%	0.738	73%	0.733	S	S	*	*			cis	-164.2	179.5	-19.4	-132.5	172.3	-11.9	0	0	110.2
915	N	31.1	Very low	30.1	Very low	140 Å²	140	132.3 Å²	132.3	75%	0.749	73%	0.725	S	S	*	*			trans	88.7	148.7	176.8	-59.2	-8.4	0	0	0	116.7
916	I	31.2	Very low	30.1	Very low	129 Å²	129	136.7 Å²	136.7	66%	0.662	74%	0.737	S	S	*	*			cis	-174.5	142	-34	-113.7	163.5	0	0	0	106.4
917	Q	30.5	Very low	30.2	Very low	162 Å²	162	133.5 Å²	133.5	76%	0.757	73%	0.728	S	S	*	*			trans	62.4	152.7	171.1	-70.2	172.3	-77	0	0	117.4
918	D	30.8	Very low	30.1	Very low	122 Å²	122	133 Å²	133	65%	0.652	73%	0.726	S	S	*	*			cis	-153	161.2	-10.2	-106.8	-26.7	0	0	0	110.5
919	D	29.5	Very low	30	Very low	125 Å²	125	137.3 Å²	137.3	67%	0.668	73%	0.733	S	S	*	*			trans	17.1	147	146.9	-85	4	0	0	0	122.2
920	K	30.3	Very low	29.8	Very low	158 Å²	158	137.3 Å²	137.3	69%	0.687	73%	0.732	S	S	*	*			cis	-169.1	167.4	28.9	-119.9	165.9	-174.4	84.1	0	111.1
921	L	27.6	Very low	29.9	Very low	137 Å²	137	133.9 Å²	133.9	72%	0.717	73%	0.728	S	S	*	*			trans	25.5	150.9	140.4	-57.3	168.2	0	0	0	121.4
922	D	29.2	Very low	29.7	Very low	125 Å²	125	133.4 Å²	133.4	67%	0.668	73%	0.733	S	S	*	*			cis	-158	153.5	8.2	-128	-26.1	0	0	0	115.9
923	V	26.7	Very low	29.7	Very low	124 Å²	124	134.2 Å²	134.2	75%	0.752	73%	0.73	S	S	*	*			trans	12	145.1	147.1	166.6	0	0	0	0	125.3
924	A	29.9	Very low	29.7	Very low	102 Å²	102	137.6 Å²	137.6	84%	0.843	73%	0.734	S	S	*	*			trans	82.7	138.1	153.2	0	0	0	0	0	121.7
925	G	29.4	Very low	29.6	Very low	68 Å²	68	140 Å²	140	70%	0.701	74%	0.736	S	S	*	*			trans	153.8	39.8	160.4	0	0	0	0	0	122.7
926	Q	32.3	Very low	29.2	Very low	201 Å²	201	141.6 Å²	141.6	94%	0.939	74%	0.741	S	S	*	*			trans	68.7	158.8	171.9	-44.3	174.1	9.9	0	0	114
927	S	30.1	Very low	29.1	Very low	100 Å²	100	140.5 Å²	140.5	70%	0.699	75%	0.746	S	S	*	*			cis	-150.3	163.6	9.4	-165.3	0	0	0	0	112.3
928	L	30.2	Very low	28.8	Very low	147 Å²	147	137.9 Å²	137.9	77%	0.77	75%	0.745	S	S	*	*			trans	67.1	111.7	167.3	-66.7	163.6	0	0	0	120.6
929	F	28.7	Very low	28.5	Very low	187 Å²	187	136.3 Å²	136.3	82%	0.82	74%	0.743	S	S	*	*			trans	32.9	108.9	147.2	-73.1	-97.5	0	0	0	119.8
930	V	26.4	Very low	28.5	Very low	125 Å²	125	136 Å²	136	76%	0.758	75%	0.751	S	S	*	*			cis	73.9	123.3	29.6	-167.6	0	0	0	0	114.2
931	P	34.2	Very low	28.3	Very low	103 Å²	103	134.2 Å²	134.2	67%	0.669	75%	0.753	S	S	*	*			cis	-142.9	159.3	-22.9	39.9	-21.9	0	0	0	117.7
932	T	26.1	Very low	28.4	Very low	112 Å²	112	132.1 Å²	132.1	69%	0.687	75%	0.748	S	S	*	*				-6.3	136.2	129.5	-46.7	0	0	0	0	118.5
933	F	29.1	Very low	28.4	Very low	171 Å²	171	134.2 Å²	134.2	75%	0.75	75%	0.754	S	S	*	*				-171.3	138.6	111.2	-107.9	-60.8	0	0	0	119.2
934	R	29.6	Very low	28.5	Very low	194 Å²	194	134.2 Å²	134.2	73%	0.732	75%	0.754	S	S	*	*			trans	78.6	115.6	143.7	-98.8	156.7	-159.9	-143.6	2.7	121.8
935	R	27.8	Very low	28.6	Very low	207 Å²	207	134 Å²	134	78%	0.781	75%	0.746	S	S	*	*			trans	63.9	126.7	142.2	-69.8	179.2	174.5	172	-3.6	116.8
936	M	23.9	Very low	28.5	Very low	174 Å²	174	137.8 Å²	137.8	86%	0.857	75%	0.75	S	S	*	*			cis	64.7	148.2	44.2	-53.8	-170.7	97.5	0	0	114
937	S	28.8	Very low	28.4	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	74%	0.743	S	S	*	*			trans	62.5	117.2	-166.4	-12.8	0	0	0	0	112.4
938	S	24.3	Very low	28.3	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	74%	0.744	S	S	*	*			cis	61.9	146	18.8	118.6	0	0	0	0	113.1
939	S	24.3	Very low	28.6	Very low	89 Å²	89	134 Å²	134	62%	0.622	75%	0.747	S	S	*	*			cis	-170.2	131.7	-8.9	34.2	0	0	0	0	110.4
940	S	28.7	Very low	28.8	Very low	120 Å²	120	130 Å²	130	84%	0.839	73%	0.734	S	S	*	*			trans	-148.4	109.4	164.9	33.2	0	0	0	0	107.3
941	V	26.1	Very low	29.1	Very low	119 Å²	119	129.8 Å²	129.8	72%	0.721	74%	0.735	S	S	*	*			cis	66.8	125.1	14.8	-171.6	0	0	0	0	112
942	P	30.6	Very low	28.9	Very low	94 Å²	94	136.1 Å²	136.1	61%	0.61	75%	0.746	S	S	*	*			cis	-132.5	-161.8	0.3	38.8	-18.7	0	0	0	115
943	Q	29.7	Very low	29.1	Very low	169 Å²	169	135.2 Å²	135.2	79%	0.79	75%	0.75	S	S	*	*			trans	77.3	131.9	148.1	-78.6	163.9	1	0	0	119.8
944	T	28.1	Very low	29	Very low	124 Å²	124	136.5 Å²	136.5	76%	0.761	76%	0.755	S	S	*	*			cis	-162.8	-177.5	-19.2	-5	0	0	0	0	111.5
945	S	31.1	Very low	29	Very low	96 Å²	96	133 Å²	133	67%	0.671	75%	0.75	S	S	*	*			trans	73.2	87.9	159.9	70.5	0	0	0	0	121.1
946	D	28.8	Very low	29.1	Very low	148 Å²	148	132.7 Å²	132.7	79%	0.791	76%	0.757	S	S	*	*				72.3	157.5	111.6	-56.2	-40.2	0	0	0	124.5
947	C	30.4	Very low	29.4	Very low	115 Å²	115	127.9 Å²	127.9	78%	0.777	74%	0.744	S	S	*	*			trans	55.3	93.9	169.8	-64.7	0	0	0	0	117.3
948	T	27.9	Very low	29.5	Very low	120 Å²	120	129.7 Å²	129.7	74%	0.736	74%	0.744	S	S	*	*			cis	78.1	157.1	34.8	87.4	0	0	0	0	117.4
949	T	35.6	Very low	29.8	Very low	135 Å²	135	131.5 Å²	131.5	83%	0.828	74%	0.744	S	S	*	*			trans	80.6	136.9	-178.2	73.9	0	0	0	0	117
950	N	32.5	Very low	30	Very low	103 Å²	103	137.1 Å²	137.1	55%	0.551	76%	0.757	S	S	*	*			cis	-158	117.8	-16.9	177.2	-9.6	0	0	0	111.3	R952	N950-R952 PolarHBondContact O-N 2.77Å; N950-R952 PolarHBondContact OD1-N 2.78Å
951	P	32.8	Very low	30	Very low	119 Å²	119	138.1 Å²	138.1	77%	0.773	75%	0.753	S	S	*	*			trans	-76.8	99.3	166.2	31.7	-31.3	0	0	0	110.1	A953	P951-A953 PolarHBondContact O-N 3.03Å
952	R	30.9	Very low	30.1	Very low	237 Å²	237	140 Å²	140	89%	0.894	76%	0.758	S	S	*	*	S	Bend	trans	-73.3	46.5	-167.8	-157.7	176.8	-177.8	152.4	1	115.4	N950	N950-R952 PolarHBondContact O-N 2.77Å; N950-R952 PolarHBondContact OD1-N 2.78Å
953	A	29.2	Very low	30	Very low	93 Å²	93	143.3 Å²	143.3	77%	0.769	77%	0.77	S	S	*	*	S	Bend	trans	-120.1	20	178.1	0	0	0	0	0	113.5	P951	P951-A953 PolarHBondContact O-N 3.03Å
954	K	27.8	Very low	30	Very low	198 Å²	198	140 Å²	140	86%	0.861	77%	0.772	S	S	*	*	S	Bend	trans	-164.7	73.4	166.1	-109.3	161.2	-173.2	176.8	0	111.9
955	I	30.3	Very low	30.1	Very low	121 Å²	121	140 Å²	140	62%	0.621	78%	0.775	S	S	*	*			trans	-165.2	69.7	151	-94.4	146.2	0	0	0	107.5
956	H	29.4	Very low	30	Very low	200 Å²	200	147.1 Å²	147.1	93%	0.926	79%	0.787	S	S	*	*	S	Bend	trans	-131.7	39.5	146.5	-157.6	146.3	0	0	0	108
957	A	29.4	Very low	30.1	Very low	72 Å²	72	147.4 Å²	147.4	60%	0.595	78%	0.784	S	S	*	*	S	Bend	trans	-157	140.5	172.9	0	0	0	0	0	106.3	I959	A957-I959 PolarHBondContact O-N 3.37Å
958	I	31.7	Very low	29.9	Very low	146 Å²	146	149.4 Å²	149.4	75%	0.749	79%	0.787	S	S	*	*	S	Bend	trans	61.4	40.3	171.3	-28.2	-177.6	0	0	0	116.3
959	I	30	Very low	30	Very low	143 Å²	143	152.5 Å²	152.5	73%	0.733	79%	0.79	S	S	*	*	S	Bend	trans	-126.5	71.3	133	-54.3	-176.2	0	0	0	108.5	A957	A957-I959 PolarHBondContact O-N 3.37Å
960	K	28.6	Very low	29.7	Very low	207 Å²	207	149 Å²	149	90%	0.9	78%	0.781	S	S	*	*	S	Bend	trans	-157.2	57.7	152.1	-140.3	178.3	-173.3	-175.9	0	109.8
961	N	28.8	Very low	29.6	Very low	142 Å²	142	150.9 Å²	150.9	76%	0.759	79%	0.791	S	S	*	*			trans	-144	84.2	-178.6	-139.5	12.7	0	0	0	109.8
962	L	28.2	Very low	29.6	Very low	158 Å²	158	151.5 Å²	151.5	83%	0.827	79%	0.788	S	S	*	*	S	Bend	trans	-166.3	135.2	155.8	-106.6	168.5	0	0	0	108.2
963	L	28.5	Very low	30	Very low	164 Å²	164	145.3 Å²	145.3	86%	0.859	78%	0.779	S	S	*	*			trans	56.8	86.4	167	-52.4	179.4	0	0	0	118.3
964	A	30.1	Very low	30.7	Very low	100 Å²	100	145.6 Å²	145.6	83%	0.826	77%	0.773	S	S	*	*				-166	119.6	126.4	0	0	0	0	0	112.2
965	C	30.4	Very low	30.9	Very low	123 Å²	123	144.8 Å²	144.8	83%	0.831	77%	0.769	S	S	*	*			trans	10.2	121.1	159.9	-58	0	0	0	0	120.9
966	R	28.5	Very low	30.9	Very low	246 Å²	246	146 Å²	146	93%	0.928	78%	0.776	S	S	*	*			trans	-119.7	107.8	137.6	-165.3	178	-166.1	175.8	5.2	108.1
967	Q	31.1	Very low	30.9	Very low	153 Å²	153	140.5 Å²	140.5	72%	0.715	76%	0.76	S	S	*	*			trans	-82.2	143.5	172.8	-77.1	-171	-6.8	0	0	110.5
968	N	26.2	Very low	31	Very low	157 Å²	157	143.9 Å²	143.9	84%	0.84	76%	0.764	S	S	*	*			trans	-90.7	118.4	150.5	-81.5	-8.6	0	0	0	108.7
969	K	31.1	Very low	31	Very low	185 Å²	185	141.4 Å²	141.4	80%	0.804	76%	0.759	S	S	*	*				-116.2	139.3	126.4	-64.5	-175.5	179.7	-176.5	0	103.8
970	G	28.5	Very low	31	Very low	63 Å²	63	141 Å²	141	65%	0.649	76%	0.763	S	S	*	*			cis	90.4	131.4	49.3	0	0	0	0	0	107.6
971	N	29.8	Very low	30.9	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	76%	0.757	S	S	*	*			cis	-167.8	176.3	5.6	-139.1	35.5	0	0	0	111.7
972	D	33.5	Very low	30.9	Very low	132 Å²	132	137.2 Å²	137.2	71%	0.706	76%	0.756	S	S	*	*			trans	92.4	148.1	138.4	-74.3	-31.1	0	0	0	124.7
973	P	39.7	Very low	30.8	Very low	108 Å²	108	140.7 Å²	140.7	70%	0.701	76%	0.759	S	S	*	*			trans	-142.1	-110.1	-133.1	34.3	-5.8	0	0	0	118.5
974	P	42.4	Very low	30.6	Very low	99 Å²	99	140.4 Å²	140.4	64%	0.643	76%	0.757	S	S	*	*				-125.8	-160.5	-104.3	37.3	-15.6	0	0	0	115.4
975	K	32.4	Very low	30.9	Very low	181 Å²	181	140.6 Å²	140.6	79%	0.787	75%	0.75	S	S	*	*			trans	138.5	161.6	137.3	-73.7	174.1	179.5	-177.5	0	112.8
976	L	30	Very low	30.7	Very low	146 Å²	146	141.1 Å²	141.1	76%	0.764	75%	0.745	S	S	*	*			cis	-178.2	160.4	-28.2	-92.4	174.5	0	0	0	106.1
977	S	30.5	Very low	30.7	Very low	84 Å²	84	140 Å²	140	59%	0.587	74%	0.74	S	S	*	*			cis	-144.8	-114.5	-39.6	31.6	0	0	0	0	108.5
978	E	31.3	Very low	30.5	Very low	144 Å²	144	138.1 Å²	138.1	67%	0.673	74%	0.744	S	S	*	*			cis	-165.4	144.4	-11.2	-163.6	44.5	-91	0	0	112.6
979	S	31.1	Very low	30.5	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	74%	0.738	S	S	*	*			trans	58.9	160.3	161.5	73	0	0	0	0	120.3
980	T	30.6	Very low	30.2	Very low	134 Å²	134	132.6 Å²	132.6	82%	0.822	74%	0.739	S	S	*	*			cis	-170.5	168.1	-17.8	29.9	0	0	0	0	107.1
981	S	26.8	Very low	30.2	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	75%	0.751	S	S	*	*			cis	-175.8	-168.6	-22	-172.6	0	0	0	0	109.4
982	Q	28	Very low	30.1	Very low	160 Å²	160	137.8 Å²	137.8	75%	0.748	75%	0.749	S	S	*	*			trans	91.9	138.2	166.2	-66.9	-157.1	25.2	0	0	123.1
983	R	26.2	Very low	29.7	Very low	231 Å²	231	137.7 Å²	137.7	87%	0.872	75%	0.753	S	S	*	*			trans	81.5	103	156.9	-73.3	179.9	-171.8	-146.7	-0.9	122.3
984	L	25.4	Very low	29.6	Very low	159 Å²	159	137.7 Å²	137.7	83%	0.832	75%	0.753	S	S	*	*			trans	-68.6	173.5	142.6	-87.3	164.8	0	0	0	110.7
985	P	36.4	Very low	28.8	Very low	104 Å²	104	141.1 Å²	141.1	68%	0.675	76%	0.758	S	S	*	*			cis	-153.2	172.9	33.4	45.2	-24.1	0	0	0	121.4
986	N	25.2	Very low	28.5	Very low	134 Å²	134	138.8 Å²	138.8	72%	0.717	75%	0.75	S	S	*	*			trans	87.2	144.7	132.6	-91.3	-6.5	0	0	0	125.4
987	W	27.8	Very low	28.2	Very low	222 Å²	222	139.8 Å²	139.8	84%	0.841	75%	0.748	S	S	*	*			trans	91.5	116.3	147.8	-77	23.1	0	0	0	122.1
988	S	27.9	Very low	28.1	Very low	114 Å²	114	142.9 Å²	142.9	80%	0.797	75%	0.753	S	S	*	*			trans	53.7	140.4	142.5	57.6	0	0	0	0	121.3
989	G	26.3	Very low	27.9	Very low	68 Å²	68	142.7 Å²	142.7	70%	0.701	75%	0.75	S	S	*	*			cis	121.2	122.3	0.9	0	0	0	0	0	113.1
990	L	24.1	Very low	27.7	Very low	158 Å²	158	144.1 Å²	144.1	83%	0.827	75%	0.745	S	S	*	*			trans	31.3	131.6	164.3	-88.6	66.8	0	0	0	120.2
991	V	28.7	Very low	27.6	Very low	148 Å²	148	139.7 Å²	139.7	90%	0.897	72%	0.719	S	S	*	*				-164.4	164.3	110.6	138.2	0	0	0	0	111.5
992	K	27.9	Very low	27.8	Very low	165 Å²	165	139.5 Å²	139.5	72%	0.717	71%	0.71	S	S	*	*			trans	-101.1	142.1	-155.3	-59.7	170.5	177.6	173.6	0	115
993	T	25.9	Very low	28	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	71%	0.708	S	S	*	*			trans	69.3	-172.8	136.5	64.3	0	0	0	0	117.3
994	P	36.3	Very low	28.2	Very low	108 Å²	108	133.4 Å²	133.4	70%	0.701	70%	0.704	S	S	*	*				-137.1	-178.5	-96.2	41.6	-22.1	0	0	0	116.3
995	K	26	Very low	28.5	Very low	170 Å²	170	130.7 Å²	130.7	74%	0.739	70%	0.699	S	S	*	*			trans	120.3	131.7	155.3	-74.1	167.2	152	-94	0	117.1
996	E	25.4	Very low	28.1	Very low	133 Å²	133	131.5 Å²	131.5	62%	0.621	71%	0.707	S	S	*	*			trans	75.4	126.3	133.4	-76	166.8	-125.2	0	0	124.8
997	F	24.5	Very low	28.4	Very low	166 Å²	166	132.4 Å²	132.4	73%	0.728	71%	0.711	S	S	*	*			trans	71.5	128	148.2	-77.2	-70.2	0	0	0	124.7
998	H	28.8	Very low	28.6	Very low	149 Å²	149	128.8 Å²	128.8	69%	0.69	71%	0.708	S	S	*	*			trans	97	89.9	141.1	-71.6	-22.4	0	0	0	125.7
999	K	26.1	Very low	28.8	Very low	141 Å²	141	129.7 Å²	129.7	61%	0.613	70%	0.703	S	S	*	*				87.2	116.1	101.5	-121.8	-179.6	174.1	-178.1	0	124.6	R1022	K999-R1022 PolarHBondContact O-NE 3.24Å; K999-R1022 PolarHBondContact O-NH2 3.27Å
1000	F	27.5	Very low	29	Very low	123 Å²	123	133.6 Å²	133.6	54%	0.539	71%	0.708	S	S	.	*			trans	76.6	115.5	157.1	-86.4	-6.6	0	0	0	124	C1021 R1022	F1000-C1021 CarbonylContact O-C 3.22Å; F1000-C1021 WeakPolarHBondContact O-CA 3.34Å; F1000-C1021 WeakPolarHBondContact O-CB 3.39Å; F1000-C1021 PolarHBondContact O-SG 3.06Å; F1000-R1022 HydrophobicContact CB-CG 3.6Å; F1000-R1022 HydrophobicContact CD2-CG 4.2Å; F1000-R1022 VanDerWaalsContact CD2-NH1 3.32Å; F1000-R1022 HydrophobicContact CG-CG 4.46Å
1001	S	29.3	Very low	29.1	Very low	40 Å²	40	137.1 Å²	137.1	28%	0.28	71%	0.71	S	S	.	*			trans	92.4	146.3	130.1	98.2	0	0	0	0	124.4	C1021 R1022	S1001-C1021 PolarHBondContact N-SG 3.18Å; S1001-C1021 WeakPolarHBondContact O-CA 3.47Å; S1001-C1021 PolarHBondContact O-N 3.33Å; S1001-C1021 VanDerWaalsContact O-N 3.11Å; S1001-C1021 PolarHBondContact O-SG 2.84Å; S1001-R1022 WeakPolarHBondContact OG-CA 3.28Å
1002	D	29.8	Very low	29.2	Very low	106 Å²	106	136.9 Å²	136.9	57%	0.567	71%	0.709	S	S	*	*			trans	52.8	138.6	149.7	-39.1	-37.5	0	0	0	121.5	T1020	D1002-T1020 WeakPolarHBondContact O-CG2 3.39Å
1003	T	32.2	Very low	29.2	Very low	118 Å²	118	132.1 Å²	132.1	72%	0.724	71%	0.706	S	S	*	*			cis	-164.1	156.7	-1.1	9	0	0	0	0	112.4
1004	N	31.1	Very low	29.4	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	70%	0.702	S	S	*	*			trans	59.4	127.1	149.2	-69.2	-4.2	0	0	0	125.9
1005	S	30.2	Very low	29.1	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	71%	0.707	S	S	*	*				76.5	120.4	128.2	66.2	0	0	0	0	125.1
1006	S	30	Very low	29.4	Very low	121 Å²	121	130.9 Å²	130.9	85%	0.846	71%	0.709	S	S	*	*			trans	66.7	157.4	140.9	51	0	0	0	0	121
1007	N	29.6	Very low	29.6	Very low	153 Å²	153	130 Å²	130	82%	0.818	71%	0.709	S	S	*	*			trans	-156.2	165.9	-179.4	-151.9	-9.9	0	0	0	111.2
1008	L	33.2	Very low	30	Very low	146 Å²	146	129.6 Å²	129.6	76%	0.764	71%	0.707	S	S	*	*			trans	71.7	127.4	-165.6	-68.2	88.3	0	0	0	114.4
1009	D	30.8	Very low	29.9	Very low	132 Å²	132	128.2 Å²	128.2	71%	0.706	71%	0.714	S	S	*	*			cis	-152.1	170.9	-7.3	-137	-38.7	0	0	0	113.6
1010	L	30.8	Very low	30	Very low	151 Å²	151	126.4 Å²	126.4	79%	0.791	72%	0.715	S	S	*	*			trans	-72	162.7	-169.7	-56.5	153	0	0	0	112.9
1011	R	27.5	Very low	29.9	Very low	231 Å²	231	123.7 Å²	123.7	87%	0.872	71%	0.71	S	S	*	*			cis	-144.8	178.3	20.6	-54.5	166.1	174.3	179.1	-3.9	108.2
1012	V	30.4	Very low	29.7	Very low	144 Å²	144	127.4 Å²	127.4	87%	0.873	72%	0.718	S	S	*	*			cis	-151.6	147.3	20.6	179.4	0	0	0	0	108
1013	G	27.5	Very low	29.5	Very low	65 Å²	65	124.9 Å²	124.9	67%	0.67	71%	0.709	S	S	*	*			trans	144.4	103.2	160.5	0	0	0	0	0	116.9
1014	S	31.1	Very low	29.2	Very low	102 Å²	102	125.7 Å²	125.7	71%	0.713	71%	0.709	S	S	*	*			trans	18.4	119.7	151.8	53.2	0	0	0	0	121.7
1015	D	29.7	Very low	28.9	Very low	150 Å²	150	124.1 Å²	124.1	80%	0.802	70%	0.7	S	S	*	*				90.4	110.2	124.2	-58.4	-13.3	0	0	0	123.6
1016	V	32.3	Very low	28.7	Very low	129 Å²	129	124.1 Å²	124.1	78%	0.782	70%	0.696	S	S	*	*				89.3	110.3	129.5	176.8	0	0	0	0	121.1
1017	D	30	Very low	28.6	Very low	114 Å²	114	123.5 Å²	123.5	61%	0.61	69%	0.692	S	S	*	*			trans	74.6	111.6	143.3	-82.2	0.4	0	0	0	126
1018	K	31.8	Very low	28.4	Very low	159 Å²	159	121.2 Å²	121.2	69%	0.691	68%	0.683	S	S	*	*				69	106.4	120.7	-65.6	179.7	-178.4	79	0	121.9
1019	S	27.5	Very low	28.2	Very low	119 Å²	119	123 Å²	123	83%	0.832	69%	0.685	S	S	*	*				86.4	155.8	120.9	74.3	0	0	0	0	121.4
1020	T	27.7	Very low	27.9	Very low	104 Å²	104	122.1 Å²	122.1	64%	0.638	68%	0.68	S	S	*	*			trans	-89.1	179.5	-163.6	-15.8	0	0	0	0	113.4	D1002	D1002-T1020 WeakPolarHBondContact O-CG2 3.39Å
1021	C	25.6	Very low	27.6	Very low	65 Å²	65	122.1 Å²	122.1	44%	0.439	68%	0.676	S	S	.	*			trans	80.9	84.8	145	-70.2	0	0	0	0	122.8	F1000 S1001	F1000-C1021 CarbonylContact O-C 3.22Å; F1000-C1021 WeakPolarHBondContact O-CA 3.34Å; F1000-C1021 WeakPolarHBondContact O-CB 3.39Å; F1000-C1021 PolarHBondContact O-SG 3.06Å; S1001-C1021 PolarHBondContact N-SG 3.18Å; S1001-C1021 WeakPolarHBondContact O-CA 3.47Å; S1001-C1021 PolarHBondContact O-N 3.33Å; S1001-C1021 VanDerWaalsContact O-N 3.11Å; S1001-C1021 PolarHBondContact O-SG 2.84Å
1022	R	24.7	Very low	27.7	Very low	119 Å²	119	117.9 Å²	117.9	45%	0.449	68%	0.676	S	S	.	*				159.9	114.2	127.5	-92	-178.4	169.9	-82.5	-28.3	120.2	K999 F1000 S1001	K999-R1022 PolarHBondContact O-NE 3.24Å; K999-R1022 PolarHBondContact O-NH2 3.27Å; F1000-R1022 HydrophobicContact CB-CG 3.6Å; F1000-R1022 HydrophobicContact CD2-CG 4.2Å; F1000-R1022 VanDerWaalsContact CD2-NH1 3.32Å; F1000-R1022 HydrophobicContact CG-CG 4.46Å; S1001-R1022 WeakPolarHBondContact OG-CA 3.28Å
1023	S	25.5	Very low	27.3	Very low	53 Å²	53	115.6 Å²	115.6	37%	0.371	67%	0.667	S	S	.	*			trans	44.9	141.5	130.2	70.9	0	0	0	0	126.7
1024	N	26	Very low	28	Very low	135 Å²	135	118.4 Å²	118.4	72%	0.722	67%	0.673	S	S	*	*			trans	81	124.5	138.7	-73.7	-8.3	0	0	0	125
1025	N	25.3	Very low	27.9	Very low	111 Å²	111	123.3 Å²	123.3	59%	0.594	68%	0.677	S	S	*	*				68.5	98.3	129.8	-65.5	-24.5	0	0	0	125.5	K294	K294-N1025 PolarHBondContact NZ-OD1 3.32Å
1026	T	26.6	Very low	27.8	Very low	103 Å²	103	126 Å²	126	63%	0.632	68%	0.678	S	S	*	*				42.4	118.4	121.6	56.7	0	0	0	0	124.8	K294	K294-T1026 PolarHBondContact NZ-OG1 3.42Å
1027	S	27.1	Very low	27.6	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	67%	0.673	S	S	*	*			trans	-169.8	129.6	136.6	50.9	0	0	0	0	107.7
1028	V	24.2	Very low	27.4	Very low	104 Å²	104	127.1 Å²	127.1	63%	0.63	67%	0.674	S	S	*	*				78.6	140.9	60.1	178.5	0	0	0	0	113.2
1029	F	29.1	Very low	27.2	Very low	184 Å²	184	128.5 Å²	128.5	81%	0.807	68%	0.68	S	S	*	*			trans	77.9	145.6	-171	-62.2	-80.4	0	0	0	116.4
1030	D	25.2	Very low	27.2	Very low	114 Å²	114	127.6 Å²	127.6	61%	0.61	67%	0.674	S	S	*	*			cis	-163.3	177.1	-31.2	-143.3	-25.6	0	0	0	111.7
1031	Q	25.3	Very low	27.3	Very low	150 Å²	150	130 Å²	130	70%	0.701	68%	0.682	S	S	*	*			trans	-10.7	139.3	166.9	-66.1	147	66.6	0	0	118.8
1032	T	28.9	Very low	27.3	Very low	143 Å²	143	129.3 Å²	129.3	88%	0.877	69%	0.686	S	S	*	*				-169.6	167	75	31.5	0	0	0	0	113
1033	S	22.8	Very low	27.6	Very low	96 Å²	96	131.9 Å²	131.9	67%	0.671	70%	0.702	S	S	*	*			trans	-143.8	150.3	177.4	175	0	0	0	0	111.7
1034	P	42.1	Very low	27.7	Very low	123 Å²	123	136.1 Å²	136.1	80%	0.799	72%	0.719	S	S	*	*				-146.2	-175.9	128.4	39	-24.6	0	0	0	114.1
1035	Y	28.3	Very low	27.8	Very low	205 Å²	205	136.6 Å²	136.6	80%	0.804	72%	0.722	S	S	*	*				-166.6	179.5	-65.4	-130.7	-84.6	0	0	0	108.2
1036	Y	27.7	Very low	28.1	Very low	206 Å²	206	135.4 Å²	135.4	81%	0.808	73%	0.727	S	S	*	*			trans	81.7	143	176.2	-78.6	-136.8	0	0	0	116.5
1037	I	27.5	Very low	28.2	Very low	135 Å²	135	138.5 Å²	138.5	69%	0.692	73%	0.734	S	S	*	*			cis	-151.1	152.5	-7.8	-132	-179.4	0	0	0	113.1
1038	H	26.8	Very low	28.3	Very low	133 Å²	133	139.8 Å²	139.8	62%	0.616	73%	0.733	S	S	*	*			trans	11.1	156.7	149.2	-98.1	-126	0	0	0	123.2
1039	F	27.7	Very low	28.4	Very low	187 Å²	187	141.8 Å²	141.8	82%	0.82	74%	0.74	S	S	*	*			cis	-144.2	172.6	33.2	-117.9	-77.9	0	0	0	113.8
1040	S	26.6	Very low	28.2	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	74%	0.735	S	S	*	*			trans	-124.9	143.9	-166.3	-59.8	0	0	0	0	116.9
1041	L	29.7	Very low	28.2	Very low	155 Å²	155	140.8 Å²	140.8	81%	0.812	73%	0.734	S	S	*	*			trans	-150.4	152.8	138.2	-92.2	178	0	0	0	106.6
1042	G	25.4	Very low	28.1	Very low	50 Å²	50	142 Å²	142	52%	0.515	73%	0.733	S	S	.	*			cis	105.8	121.1	3.8	0	0	0	0	0	111.9
1043	H	30.8	Very low	27.8	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.796	72%	0.716	S	S	*	*			cis	-146	-175.2	-1.2	-59.6	-86.6	0	0	0	107.6
1044	I	29.6	Very low	27.9	Very low	142 Å²	142	143.1 Å²	143.1	73%	0.728	71%	0.711	S	S	*	*			cis	-158	161.6	17.4	-160.5	158.5	0	0	0	111.8
1045	N	28.2	Very low	27	Very low	145 Å²	145	143.8 Å²	143.8	78%	0.775	70%	0.702	S	S	*	*			trans	14.2	130.4	160.1	-60.8	7.9	0	0	0	120.4
1046	A	31.3	Very low	26.7	Very low	86 Å²	86	140.5 Å²	140.5	71%	0.711	70%	0.698	S	S	*	*			cis	-158.7	158.1	1.6	0	0	0	0	0	114.2
1047	H	28.8	Very low	26.6	Very low	168 Å²	168	136.5 Å²	136.5	78%	0.778	70%	0.695	S	S	*	*			trans	-6.4	150.4	147.8	-69.7	-99.2	0	0	0	118.9
1048	D	28.9	Very low	26.4	Very low	137 Å²	137	136.8 Å²	136.8	73%	0.733	70%	0.703	S	S	*	*			cis	-153.3	-175.6	8.5	-131.8	-35.5	0	0	0	115.2
1049	N	25.6	Very low	26.4	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	71%	0.708	S	S	*	*			trans	-84.3	171.1	-175.6	-98.4	-38.9	0	0	0	116.9
1050	E	24.6	Very low	26.4	Very low	150 Å²	150	138.8 Å²	138.8	70%	0.701	71%	0.713	S	S	*	*			trans	89.7	124.8	146.3	-85.7	-167.3	166.6	0	0	125
1051	Q	25.9	Very low	26.3	Very low	127 Å²	127	142.7 Å²	142.7	59%	0.593	72%	0.718	S	S	*	*			trans	48.9	135	131.2	-70.2	-168.6	64.2	0	0	125	S304	S304-Q1051 VanDerWaalsContact CB-O 3.27Å; S304-Q1051 WeakPolarHBondContact CB-O 3.3Å
1052	Y	22.7	Very low	26.2	Very low	175 Å²	175	141.2 Å²	141.2	69%	0.686	71%	0.711	S	S	*	*			trans	56.1	100.2	148.4	-87.4	-80.2	0	0	0	120.9	S304	S304-Y1052 WeakPolarHBondContact CB-O 3.28Å
1053	H	23.5	Very low	26.3	Very low	109 Å²	109	147.1 Å²	147.1	51%	0.505	73%	0.725	S	S	.	*				170.7	164.3	102.1	-97	-80.1	0	0	0	114	G305	G305-H1053 VanDerWaalsContact CA-CB 3.4Å; G305-H1053 PolarHBondContact O-CD2 3.18Å
1054	R	23.5	Very low	26.2	Very low	153 Å²	153	145.1 Å²	145.1	58%	0.577	72%	0.718	S	S	*	*			trans	-24.7	151.8	139.9	-68.2	170.1	173.8	179.2	-0.7	114.5	S307	S307-R1054 WeakPolarHBondContact OG-CD 3.08Å; S307-R1054 PolarHBondContact OG-NH1 2.98Å
1055	F	23.2	Very low	25.9	Very low	137 Å²	137	144.1 Å²	144.1	60%	0.601	72%	0.724	S	S	*	*			cis	-167.6	177.2	37.3	-126.9	-37.1	0	0	0	112.1
1056	L	23.7	Very low	25.7	Very low	137 Å²	137	144.6 Å²	144.6	72%	0.717	73%	0.726	S	S	*	*			trans	68.8	89.2	154.1	-70.2	163.9	0	0	0	119.4
1057	T	24.8	Very low	25.3	Very low	121 Å²	121	145.6 Å²	145.6	74%	0.742	73%	0.727	S	S	*	*			trans	-8.9	132	132.7	52.6	0	0	0	0	118.8
1058	V	24	Very low	25.3	Very low	142 Å²	142	143 Å²	143	86%	0.861	72%	0.724	S	S	*	*			trans	-137	121.2	130.6	178.5	0	0	0	0	108.5
1059	P	26.8	Very low	25	Very low	111 Å²	111	143.8 Å²	143.8	72%	0.721	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-81	145.6	177	32.7	-34	0	0	0	111.7	K1061	P1059-K1061 PolarHBondContact O-N 3.14Å
1060	R	25.9	Very low	25	Very low	250 Å²	250	147.7 Å²	147.7	94%	0.943	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-69.1	120.7	171.9	-76.8	-178	175.7	157	-0.2	110.9
1061	K	24.6	Very low	25	Very low	184 Å²	184	147.6 Å²	147.6	80%	0.8	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-72.2	150.5	139.2	-67.4	-178.9	176.7	179	0	107	P1059	P1059-K1061 PolarHBondContact O-N 3.14Å
1062	D	29	Very low	25.1	Very low	123 Å²	123	149.3 Å²	149.3	66%	0.658	75%	0.748	S	S	*	*				-164.6	142.4	87.2	-87.2	-26.5	0	0	0	112.4	I1064	D1062-I1064 HydrophobicContact CB-CG1 4.31Å
1063	H	27.2	Very low	25.3	Very low	175 Å²	175	151.8 Å²	151.8	81%	0.81	76%	0.756	S	S	*	*			trans	-127.5	98.5	149.4	-100.3	-80.4	0	0	0	107.5
1064	I	27.6	Very low	25.6	Very low	129 Å²	129	153.7 Å²	153.7	66%	0.662	78%	0.775	S	S	*	*			trans	-84.5	130.4	176.3	-65.2	168.9	0	0	0	108.3	D1062 L1066	D1062-I1064 HydrophobicContact CB-CG1 4.31Å; I1064-L1066 HydrophobicContact CG2-CG 4.49Å
1065	S	23.8	Very low	25.8	Very low	122 Å²	122	149.6 Å²	149.6	85%	0.853	78%	0.781	S	S	*	*			trans	-111	129.9	157.8	-173.2	0	0	0	0	108.6
1066	L	24	Very low	26	Very low	154 Å²	154	151.2 Å²	151.2	81%	0.806	80%	0.796	S	S	*	*			trans	-81.8	132.6	-171.7	-76.8	160.4	0	0	0	111.7	I1064	I1064-L1066 HydrophobicContact CG2-CG 4.49Å
1067	S	23.7	Very low	26.2	Very low	107 Å²	107	149.8 Å²	149.8	75%	0.748	80%	0.797	S	S	*	*			trans	-143.8	134.9	143.9	62.2	0	0	0	0	111.9
1068	T	27.4	Very low	26.3	Very low	115 Å²	115	152.8 Å²	152.8	71%	0.706	81%	0.808	S	S	*	*			trans	62.1	71.4	164.5	-39.1	0	0	0	0	117.6	R1070	T1068-R1070 HydrophobicContact CG2-CB 4.25Å; T1068-R1070 PolarHBondContact O-N 2.86Å
1069	L	22.6	Very low	26.4	Very low	152 Å²	152	155.4 Å²	155.4	80%	0.796	81%	0.807	S	S	*	*			trans	-53.2	118.5	142.7	-105.9	165.4	0	0	0	109.3	L1071	L1069-L1071 HydrophobicContact CD2-CD1 4.47Å; L1069-L1071 HydrophobicContact CD2-CG 4.33Å
1070	R	25.7	Very low	26.2	Very low	229 Å²	229	158.6 Å²	158.6	86%	0.864	81%	0.81	S	S	*	*			trans	-139.8	74.2	164.7	-135.4	176.3	-167.3	164	3.5	111.2	T1068 N1072	T1068-R1070 HydrophobicContact CG2-CB 4.25Å; T1068-R1070 PolarHBondContact O-N 2.86Å; R1070-N1072 PolarHBondContact O-N 3.14Å
1071	L	24.8	Very low	26.3	Very low	147 Å²	147	154.1 Å²	154.1	77%	0.77	81%	0.805	S	S	*	*			trans	-60	130.2	160.5	-72.6	166.8	0	0	0	109	L1069	L1069-L1071 HydrophobicContact CD2-CD1 4.47Å; L1069-L1071 HydrophobicContact CD2-CG 4.33Å
1072	N	27.7	Very low	26.3	Very low	164 Å²	164	155.9 Å²	155.9	88%	0.877	81%	0.807	S	S	*	*				-149.8	147	125.7	-122.3	-17.2	0	0	0	112.1	R1070	R1070-N1072 PolarHBondContact O-N 3.14Å
1073	R	26.8	Very low	26.3	Very low	226 Å²	226	155.5 Å²	155.5	85%	0.853	81%	0.813	S	S	*	*			trans	-83.4	144.7	-165.8	-60.6	165.2	173.7	163.5	-6	112.1
1074	T	29.7	Very low	26.3	Very low	149 Å²	149	155 Å²	155	91%	0.914	82%	0.817	S	S	*	*				-127.5	137.2	124.2	51.9	0	0	0	0	107.7
1075	G	27.6	Very low	26.5	Very low	67 Å²	67	154 Å²	154	69%	0.691	82%	0.819	S	S	*	*			cis	139.8	70.3	-2.9	0	0	0	0	0	112
1076	D	27.8	Very low	26.6	Very low	171 Å²	171	155.4 Å²	155.4	91%	0.914	82%	0.817	S	S	*	*			trans	-124.9	140.3	160.9	-99.3	-50.1	0	0	0	109.1
1077	S	27.6	Very low	26.8	Very low	107 Å²	107	157.1 Å²	157.1	75%	0.748	82%	0.818	S	S	*	*			trans	-122.4	112.8	-174.6	-64.8	0	0	0	0	109.6	K1079	S1077-K1079 PolarHBondContact O-N 2.82Å
1078	L	27.2	Very low	27.1	Very low	185 Å²	185	158.3 Å²	158.3	97%	0.969	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-64.9	130.9	160.5	-77	167.9	0	0	0	108.7
1079	K	27.2	Very low	27.2	Very low	196 Å²	196	156.5 Å²	156.5	85%	0.852	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-91.1	160.9	179.1	-75.8	-178	177.4	176.4	0	111.2	S1077	S1077-K1079 PolarHBondContact O-N 2.82Å
1080	F	22.6	Very low	27.5	Very low	179 Å²	179	156.2 Å²	156.2	79%	0.785	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-51.4	137.2	174.5	-71	-103.6	0	0	0	114.5
1081	D	27.1	Very low	27.5	Very low	156 Å²	156	154.3 Å²	154.3	83%	0.834	80%	0.799	S	S	*	*				-123.1	145.9	113	-91.3	-40.9	0	0	0	107.2
1082	R	24.7	Very low	27.7	Very low	221 Å²	221	153.2 Å²	153.2	83%	0.834	79%	0.793	S	S	*	*			cis	86.7	55.2	23.7	-69.3	-167.7	162.5	-160.4	-3.1	117.9
1083	S	29.4	Very low	27.8	Very low	114 Å²	114	152.5 Å²	152.5	80%	0.797	78%	0.784	S	S	*	*			trans	-156.8	131.2	148	54.4	0	0	0	0	114.7
1084	N	28	Very low	27.9	Very low	165 Å²	165	149 Å²	149	88%	0.882	78%	0.777	S	S	*	*			trans	44	131.1	159.8	-79.6	0.1	0	0	0	124
1085	P	30.3	Very low	27.8	Very low	109 Å²	109	146.1 Å²	146.1	71%	0.708	76%	0.764	S	S	*	*			trans	-113.8	160.6	164.5	40.7	-31.3	0	0	0	115.6
1086	N	26.1	Very low	27.9	Very low	150 Å²	150	151.6 Å²	151.6	80%	0.802	77%	0.768	S	S	*	*			trans	43.9	124	146.7	-60.1	-1.3	0	0	0	123.6
1087	F	29.7	Very low	28	Very low	190 Å²	190	152 Å²	152	83%	0.833	76%	0.764	S	S	*	*			trans	-139.8	117.1	135.5	-107.5	-101.6	0	0	0	106
1088	E	28.2	Very low	27.9	Very low	133 Å²	133	151.3 Å²	151.3	62%	0.621	76%	0.759	S	S	*	*				88.6	142.2	84.8	-84.8	-134.7	146.4	0	0	114.1	K1090	E1088-K1090 VanDerWaalsContact OE1-CE 3.26Å; E1088-K1090 WeakPolarHBondContact OE1-CE 3.19Å; E1088-K1090 IonicContact OE1-NZ 2.72Å; E1088-K1090 PolarHBondContact OE1-NZ 3.29Å; E1088-K1090 IonicContact OE2-NZ 3.68Å; E1088-K1090 PolarHBondContact OE2-NZ 3.29Å
1089	A	30.6	Very low	27.9	Very low	76 Å²	76	148.6 Å²	148.6	63%	0.628	75%	0.751	S	S	*	*			cis	-165.3	-161.4	-6.8	0	0	0	0	0	109.2
1090	K	28.2	Very low	28	Very low	146 Å²	146	143.8 Å²	143.8	64%	0.635	75%	0.747	S	S	*	*			cis	-156.7	-25.2	6.8	-150.7	130.6	-126.7	170.2	0	118.5	E1088 I1092	E1088-K1090 VanDerWaalsContact OE1-CE 3.26Å; E1088-K1090 WeakPolarHBondContact OE1-CE 3.19Å; E1088-K1090 IonicContact OE1-NZ 2.72Å; E1088-K1090 PolarHBondContact OE1-NZ 3.29Å; E1088-K1090 IonicContact OE2-NZ 3.68Å; E1088-K1090 PolarHBondContact OE2-NZ 3.29Å; K1090-I1092 PolarHBondContact O-N 2.78Å
1091	F	25.6	Very low	28.3	Very low	190 Å²	190	142.7 Å²	142.7	83%	0.833	76%	0.756	S	S	*	*			trans	-70.5	107	-170.1	-86.7	-96.9	0	0	0	112.6
1092	I	29.5	Very low	28.4	Very low	123 Å²	123	139.9 Å²	139.9	63%	0.631	75%	0.748	S	S	*	*				76.1	119.5	81	-70.6	167.6	0	0	0	110.6	K1090	K1090-I1092 PolarHBondContact O-N 2.78Å
1093	Q	29.2	Very low	28.5	Very low	150 Å²	150	134.2 Å²	134.2	70%	0.701	74%	0.743	S	S	*	*			cis	-153.9	158	20.5	-146.4	164.7	-30.1	0	0	113.9
1094	E	29.4	Very low	28.3	Very low	151 Å²	151	134.9 Å²	134.9	71%	0.706	74%	0.737	S	S	*	*			trans	31.3	127.2	157	-69.4	160.6	-129.4	0	0	122.1
1095	S	27.5	Very low	28.5	Very low	90 Å²	90	134.8 Å²	134.8	63%	0.629	73%	0.732	S	S	*	*				80.6	140.9	52.2	91.9	0	0	0	0	114.6
1096	K	30	Very low	28.2	Very low	182 Å²	182	136.9 Å²	136.9	79%	0.791	74%	0.735	S	S	*	*			cis	-154	149.5	22.6	-58.9	172.9	-176.1	166	0	115.5
1097	H	30.3	Very low	28.4	Very low	178 Å²	178	136.9 Å²	136.9	82%	0.824	73%	0.734	S	S	*	*			trans	33.3	126.6	137.9	-67.5	-82.9	0	0	0	127.8
1098	S	25.8	Very low	28.4	Very low	93 Å²	93	134 Å²	134	65%	0.65	73%	0.726	S	S	*	*				78	112.7	118.2	76.6	0	0	0	0	127.1
1099	T	27.3	Very low	28.4	Very low	129 Å²	129	133.6 Å²	133.6	79%	0.791	73%	0.728	S	S	*	*				61.4	109	126.6	61.2	0	0	0	0	125.7
1100	A	28	Very low	28.5	Very low	94 Å²	94	136 Å²	136	78%	0.777	73%	0.731	S	S	*	*				56.8	118.5	123.9	0	0	0	0	0	124.8
1101	T	30.1	Very low	28.6	Very low	157 Å²	157	137.1 Å²	137.1	96%	0.963	74%	0.74	S	S	*	*			trans	-167.9	-176	138.7	18.3	0	0	0	0	111
1102	S	28.4	Very low	28.8	Very low	96 Å²	96	135.3 Å²	135.3	67%	0.671	73%	0.734	S	S	*	*			trans	-143.3	155	-170.2	58.8	0	0	0	0	115.6
1103	S	27.5	Very low	28.7	Very low	103 Å²	103	135 Å²	135	72%	0.72	73%	0.734	S	S	*	*			trans	68.1	153.2	169.8	-70.9	0	0	0	0	116.6
1104	D	25.4	Very low	28.8	Very low	128 Å²	128	131 Å²	131	68%	0.684	72%	0.72	S	S	*	*			cis	-159.3	-170.6	-20.1	-105.7	-49.7	0	0	0	108.5
1105	Q	31.1	Very low	28.8	Very low	163 Å²	163	128 Å²	128	76%	0.762	72%	0.715	S	S	*	*			trans	67	147.8	-175.9	-74.7	75.7	23.8	0	0	115
1106	I	23.8	Very low	28.9	Very low	153 Å²	153	129 Å²	129	79%	0.785	71%	0.712	S	S	*	*			cis	86.1	82.6	16	-48.7	176.6	0	0	0	115.9
1107	L	30	Very low	29	Very low	149 Å²	149	124.8 Å²	124.8	78%	0.78	70%	0.701	S	S	*	*			trans	-155.1	141.2	140.6	-85.9	124.5	0	0	0	105.3
1108	I	29.6	Very low	29	Very low	129 Å²	129	122 Å²	122	66%	0.662	69%	0.688	S	S	*	*				68	118.2	58.4	-63.5	167.4	0	0	0	109.1
1109	D	29.2	Very low	29.2	Very low	126 Å²	126	123.8 Å²	123.8	67%	0.674	69%	0.691	S	S	*	*			cis	-155.6	171.9	10.2	-128	-7.5	0	0	0	114
1110	N	32	Very low	29.3	Very low	126 Å²	126	122.9 Å²	122.9	67%	0.674	68%	0.68	S	S	*	*			trans	59.6	120.2	163.1	-63.1	-42	0	0	0	118.1
1111	M	31.1	Very low	29.3	Very low	170 Å²	170	124.6 Å²	124.6	84%	0.837	68%	0.677	S	S	*	*			cis	-144.9	-155.2	-1.5	-86.6	-174.8	178	0	0	107.6
1112	E	29	Very low	29.2	Very low	152 Å²	152	120.7 Å²	120.7	71%	0.71	66%	0.655	S	S	*	*			cis	-154.7	-149.9	12.3	-150.5	-87.9	140.1	0	0	109.5
1113	N	29.1	Very low	29.2	Very low	115 Å²	115	124.2 Å²	124.2	62%	0.615	66%	0.661	S	S	*	*			trans	-103.4	155.4	-156.2	-81.9	-57	0	0	0	116.8
1114	T	30	Very low	29.2	Very low	68 Å²	68	123.4 Å²	123.4	42%	0.417	66%	0.656	S	S	.	*			trans	76.8	78.7	153.7	59.4	0	0	0	0	122.9	K714 L715	K714-T1114 PolarHBondContact NZ-OG1 3.43Å; L715-T1114 WeakPolarHBondContact CB-O 3.37Å
1115	C	28.9	Very low	29.3	Very low	87 Å²	87	125.4 Å²	125.4	59%	0.588	66%	0.661	S	S	*	*				63.1	119.6	108.5	-63.1	0	0	0	0	125.6	K714 L715	K714-C1115 CarbonylContact C-O 3.51Å; L715-C1115 VanDerWaalsContact N-C 3.27Å; L715-C1115 PolarHBondContact N-O 2.78Å; L715-C1115 CarbonylContact O-C 3.54Å
1116	I	30.9	Very low	29.3	Very low	112 Å²	112	123.4 Å²	123.4	57%	0.574	66%	0.656	S	S	*	*	B	Isolated β-bridge	trans	105.7	82.4	142	-59.5	155.3	0	0	0	121.6	K714 L715 L716	K714-I1116 CarbonylContact C-O 3.6Å; K714-I1116 VanDerWaalsContact C-O 3.23Å; L715-I1116 VanDerWaalsContact C-C 3.43Å; L715-I1116 PolarHBondContact N-O 3.39Å; L715-I1116 PolarHBondContact O-N 3.35Å; L716-I1116 CarbonylContact O-C 3.6Å; L716-I1116 WeakPolarHBondContact O-CA 3.27Å; L716-I1116 PolarHBondContact O-N 2.94Å
1117	T	30.5	Very low	29.7	Very low	93 Å²	93	124 Å²	124	57%	0.571	66%	0.655	S	S	*	*	B	Isolated β-bridge	trans	60.5	-180	147	58.8	0	0	0	0	120.8	L716	L716-T1117 VanDerWaalsContact N-N 3.19Å; L716-T1117 PolarHBondContact N-O 2.78Å; L716-T1117 PolarHBondContact O-N 2.87Å
1118	H	31.5	Very low	29.5	Very low	119 Å²	119	124.7 Å²	124.7	55%	0.551	65%	0.654	S	S	*	*				-152.8	-178.4	-70	-132.2	-39.9	0	0	0	113.2	R718	R718-H1118 WeakPolarHBondContact CA-NE2 3.42Å; R718-H1118 PolarHBondContact N-NE2 2.95Å; R718-H1118 VanDerWaalsContact N-NE2 3.18Å
1119	N	30.7	Very low	29.5	Very low	130 Å²	130	123.1 Å²	123.1	70%	0.695	65%	0.652	S	S	*	*			trans	-130	163.7	-159.5	-164.2	9.8	0	0	0	115
1120	L	29.3	Very low	29.6	Very low	110 Å²	110	123 Å²	123	58%	0.576	66%	0.656	S	S	*	*			trans	-142.1	111.7	157.4	-75	-178.6	0	0	0	109.5	L722	L722-L1120 HydrophobicContact CD1-CD2 4.45Å; L722-L1120 HydrophobicContact CD2-CD1 4.22Å; L722-L1120 HydrophobicContact CD2-CD2 3.94Å
1121	N	26.9	Very low	29.8	Very low	131 Å²	131	121.7 Å²	121.7	70%	0.701	65%	0.654	S	S	*	*				178.4	169.5	90.2	-90	-73.4	0	0	0	108.9
1122	S	27.2	Very low	29.7	Very low	74 Å²	74	122 Å²	122	52%	0.517	65%	0.646	S	S	.	*			cis	-167.1	-179.2	-22.5	62.9	0	0	0	0	109.4
1123	Q	29.1	Very low	29.7	Very low	170 Å²	170	123.8 Å²	123.8	79%	0.794	65%	0.646	S	S	*	*			trans	69	128.8	175.4	-60	-174.8	16.8	0	0	114.5
1124	S	27	Very low	29.8	Very low	87 Å²	87	123.8 Å²	123.8	61%	0.608	64%	0.64	S	S	*	*			cis	83.8	136	37.1	76.2	0	0	0	0	114
1125	E	27.7	Very low	29.9	Very low	170 Å²	170	131.3 Å²	131.3	79%	0.794	66%	0.661	S	S	*	*			cis	-175.8	173.3	-6.6	-110.9	-162.6	-93.2	0	0	107.5
1126	N	32.2	Very low	29.9	Very low	121 Å²	121	133.5 Å²	133.5	65%	0.647	67%	0.672	S	S	*	*			cis	-172.4	167.5	-27.1	-122.6	-12.1	0	0	0	106.3
1127	H	31.1	Very low	30.3	Very low	166 Å²	166	135.7 Å²	135.7	77%	0.769	68%	0.684	S	S	*	*			cis	-161.3	169.4	-13.2	-167.9	-96.2	0	0	0	108.6
1128	H	25.7	Very low	30.1	Very low	162 Å²	162	141.6 Å²	141.6	75%	0.75	70%	0.698	S	S	*	*			trans	-88.2	171.3	172.5	-120.7	-118.4	0	0	0	113.4
1129	P	31	Very low	29.9	Very low	96 Å²	96	140.5 Å²	140.5	62%	0.623	70%	0.695	S	S	*	*			trans	-118.1	139.6	-158.7	41.1	-31.8	0	0	0	119.1
1130	V	29.9	Very low	29.7	Very low	125 Å²	125	137.6 Å²	137.6	76%	0.758	68%	0.679	S	S	*	*			trans	57.9	166.9	158.6	-92.1	0	0	0	0	119.5
1131	P	37.7	Very low	29.5	Very low	98 Å²	98	137.8 Å²	137.8	64%	0.636	67%	0.673	S	S	*	*			cis	-132	-144.9	14.4	45	-24.1	0	0	0	114.6	V1416	P1131-V1416 HydrophobicContact CB-CG1 4.32Å
1132	R	28.6	Very low	29.6	Very low	176 Å²	176	139.2 Å²	139.2	66%	0.664	67%	0.669	S	S	*	*			cis	-144.5	-133.6	6.5	-125.8	175.2	-179.7	162.2	-0.8	113.7	N1415 V1416	R1132-N1415 HydrophobicContact CB-CB 4.35Å; R1132-N1415 HydrophobicContact CG-CB 3.75Å; R1132-V1416 HydrophobicContact CB-CG1 4.45Å; R1132-V1416 HydrophobicContact CG-CG1 3.95Å; R1132-V1416 PolarHBondContact NE-O 3.01Å; R1132-V1416 VanDerWaalsContact NE-O 3.14Å
1133	R	29.8	Very low	29.8	Very low	190 Å²	190	142.8 Å²	142.8	72%	0.717	68%	0.677	S	S	*	*			trans	-149.4	-142.5	-179.1	-75.6	-175.4	175.6	166.5	-3.3	111.3	N1415 V1416	R1133-N1415 WeakPolarHBondContact CA-OD1 2.83Å; R1133-N1415 PolarHBondContact O-ND2 3.46Å; R1133-N1415 PolarHBondContact O-OD1 3.08Å; R1133-V1416 HydrophobicContact CB-CB 4.39Å; R1133-V1416 HydrophobicContact CG-CB 3.91Å; R1133-V1416 HydrophobicContact CG-CG2 4.12Å
1134	K	30.8	Very low	29.8	Very low	114 Å²	114	138.9 Å²	138.9	50%	0.496	67%	0.669	S	S	.	*			cis	-167.8	117.1	-3.6	170.8	-136.4	167.2	-178	0	113	N1414 N1415	K1134-N1414 PolarHBondContact O-OD1 3.2Å; K1134-N1414 VanDerWaalsContact O-OD1 3.04Å; K1134-N1415 VanDerWaalsContact CB-OD1 3.31Å; K1134-N1415 WeakPolarHBondContact CB-OD1 3.38Å; K1134-N1415 VanDerWaalsContact CD-N 3.31Å; K1134-N1415 PolarHBondContact N-OD1 3.01Å
1135	R	32	Very low	29.6	Very low	226 Å²	226	143.2 Å²	143.2	85%	0.853	68%	0.679	S	S	*	*			trans	5	144.1	149.6	-107.2	-179.4	-176.4	167.5	1.4	123.8
1136	T	28.1	Very low	29.7	Very low	133 Å²	133	143.5 Å²	143.5	82%	0.816	68%	0.681	S	S	*	*			trans	111.7	139	145.5	-43.8	0	0	0	0	117.9
1137	L	39	Very low	29.3	Very low	158 Å²	158	145.2 Å²	145.2	83%	0.827	69%	0.689	S	S	*	*			trans	-104.9	161.6	-179.6	-75	165.9	0	0	0	112.8
1138	Y	26.1	Very low	29.2	Very low	218 Å²	218	145.2 Å²	145.2	86%	0.855	69%	0.693	S	S	*	*			trans	-159.2	165.1	131.6	-118.2	-88.9	0	0	0	111.3
1139	L	28.9	Very low	29.1	Very low	96 Å²	96	145.8 Å²	145.8	50%	0.503	70%	0.696	S	S	.	*			trans	-46.3	157.2	-158.4	-96	66.7	0	0	0	122.4	T1405 S1406	L1139-T1405 HydrophobicContact CD2-CG2 4Å; L1139-T1405 HydrophobicContact CG-CG2 3.76Å; L1139-S1406 VanDerWaalsContact CB-OG 3.26Å; L1139-S1406 WeakPolarHBondContact CB-OG 3.19Å; L1139-S1406 WeakPolarHBondContact CD2-OG 3.43Å; L1139-S1406 WeakPolarHBondContact CG-OG 3.49Å
1140	N	26.2	Very low	29.1	Very low	68 Å²	68	146.6 Å²	146.6	36%	0.364	70%	0.702	S	S	.	*			trans	-153.7	177.1	146.4	-122.3	-79.2	0	0	0	117.6	T1405 S1406 L1407 L1408	N1140-T1405 VanDerWaalsContact O-CB 3.31Å; N1140-T1405 WeakPolarHBondContact O-CB 3.31Å; N1140-T1405 WeakPolarHBondContact O-CG2 3.46Å; N1140-S1406 VanDerWaalsContact CA-OG 3.23Å; N1140-S1406 WeakPolarHBondContact CA-OG 3.11Å; N1140-S1406 PolarHBondContact N-OG 3.22Å; N1140-S1406 WeakPolarHBondContact O-CB 3.48Å; N1140-S1406 PolarHBondContact O-OG 3.38Å; N1140-L1407 PolarHBondContact ND2-O 3.29Å; N1140-L1407 PolarHBondContact OD1-O 2.78Å; N1140-L1408 WeakPolarHBondContact OD1-CD2 3.5Å; N1140-L1408 VanDerWaalsContact OD1-CG 3.3Å; N1140-L1408 WeakPolarHBondContact OD1-CG 3.45Å; N1140-L1408 PolarHBondContact OD1-N 2.78Å
1141	R	25.8	Very low	28.9	Very low	115 Å²	115	145.9 Å²	145.9	43%	0.434	70%	0.702	S	S	.	*			trans	-117.5	163.6	-149	-167.3	-175	173.6	98.9	2.6	116.9	S1406	R1141-S1406 WeakPolarHBondContact CD-O 3.14Å; R1141-S1406 PolarHBondContact NH1-O 3.2Å
1142	Y	28.9	Very low	28.4	Very low	161 Å²	161	149.2 Å²	149.2	63%	0.631	71%	0.709	S	S	*	*			trans	80.7	146	161	-70.2	-64.7	0	0	0	114.7
1143	H	31.5	Very low	28.3	Very low	148 Å²	148	147.9 Å²	147.9	69%	0.685	72%	0.715	S	S	*	*			cis	-149.1	159.6	4.6	-144	-81.8	0	0	0	110.1
1144	S	27.3	Very low	28.2	Very low	88 Å²	88	146.5 Å²	146.5	62%	0.615	72%	0.721	S	S	*	*			trans	34.8	130	158.3	35	0	0	0	0	121.6
1145	E	24	Very low	27.9	Very low	178 Å²	178	146.4 Å²	146.4	83%	0.832	73%	0.734	S	S	*	*				53.4	135.5	85.1	-62.1	-173.7	-177.3	0	0	114.5
1146	Q	29.3	Very low	27.9	Very low	176 Å²	176	142.8 Å²	142.8	82%	0.822	73%	0.73	S	S	*	*			cis	-138.4	-169.6	26.1	-66.7	-179.5	-14.4	0	0	114
1147	L	23.3	Very low	27.9	Very low	157 Å²	157	145.4 Å²	145.4	82%	0.822	73%	0.73	S	S	*	*			trans	-79.7	154.9	169.3	-60.6	77.2	0	0	0	111.7
1148	I	28.7	Very low	27.2	Very low	167 Å²	167	142.7 Å²	142.7	86%	0.856	73%	0.725	S	S	*	*				-178.7	160.3	120.8	-93	159.2	0	0	0	111.7
1149	Q	25.4	Very low	27.2	Very low	173 Å²	173	140.5 Å²	140.5	81%	0.808	73%	0.727	S	S	*	*			trans	-45.3	166.7	-167.4	-65.5	-173.9	7.6	0	0	120.6
1150	P	30.9	Very low	27.2	Very low	114 Å²	114	142.8 Å²	142.8	74%	0.74	74%	0.739	S	S	*	*			trans	-84.2	164.8	174.6	35.8	-37.7	0	0	0	114.5
1151	S	24.4	Very low	27.1	Very low	110 Å²	110	147.1 Å²	147.1	77%	0.769	76%	0.761	S	S	*	*			trans	72.2	150.8	-175.8	84.6	0	0	0	0	113.6
1152	Q	28.1	Very low	27.3	Very low	168 Å²	168	147.4 Å²	147.4	79%	0.785	78%	0.778	S	S	*	*			cis	-131	177.4	20.4	-61.3	-174.9	8.6	0	0	115.1
1153	N	25.1	Very low	27.2	Very low	147 Å²	147	148.5 Å²	148.5	79%	0.786	79%	0.788	S	S	*	*			trans	-35.9	136.3	172.1	-48.2	-58.2	0	0	0	115.8
1154	I	28	Very low	27	Very low	162 Å²	162	148.5 Å²	148.5	83%	0.831	79%	0.794	S	S	*	*			trans	-96.6	125.7	144.3	-63.5	174.9	0	0	0	107
1155	S	25.7	Very low	27	Very low	112 Å²	112	150.8 Å²	150.8	78%	0.783	80%	0.799	S	S	*	*			trans	-144.9	114.3	164.7	-173.4	0	0	0	0	108.9
1156	I	30.7	Very low	27.3	Very low	150 Å²	150	151.1 Å²	151.1	77%	0.769	80%	0.8	S	S	*	*			trans	-106.4	123.2	168.6	-63.1	-179.4	0	0	0	107.6
1157	K	28.9	Very low	27	Very low	188 Å²	188	151.1 Å²	151.1	82%	0.817	80%	0.8	S	S	*	*			trans	-8.1	148.9	150.3	-58.6	177.3	-177.5	177.9	0	116.5
1158	S	25.1	Very low	27	Very low	101 Å²	101	150.8 Å²	150.8	71%	0.706	80%	0.799	S	S	*	*			cis	175.5	141.3	-11.9	48.2	0	0	0	0	107.5
1159	L	25.8	Very low	26.8	Very low	172 Å²	172	149.8 Å²	149.8	90%	0.901	80%	0.795	S	S	*	*			trans	-157.6	160.5	160.3	-110.5	167.6	0	0	0	110.4
1160	N	28.2	Very low	27	Very low	144 Å²	144	149.8 Å²	149.8	77%	0.77	80%	0.797	S	S	*	*			trans	-100.7	138	-155.3	-64.4	-34.7	0	0	0	115.4
1161	I	25.2	Very low	26.6	Very low	158 Å²	158	152 Å²	152	81%	0.81	80%	0.802	S	S	*	*				8.4	137	119.3	-73.8	170.1	0	0	0	115.4
1162	P	29.3	Very low	26.6	Very low	122 Å²	122	154.3 Å²	154.3	79%	0.792	81%	0.805	S	S	*	*			cis	-135.2	173.8	42.4	25	-1.3	0	0	0	118.4
1163	Q	25.8	Very low	26.5	Very low	183 Å²	183	152.3 Å²	152.3	86%	0.855	81%	0.805	S	S	*	*			trans	-88.5	150	167.4	-58	171.3	-68.3	0	0	111
1164	N	28.4	Very low	26.7	Very low	149 Å²	149	155.7 Å²	155.7	80%	0.797	81%	0.812	S	S	*	*				-167.9	152	127.4	-104.4	-18.4	0	0	0	112.8
1165	N	26.8	Very low	26.5	Very low	135 Å²	135	152.4 Å²	152.4	72%	0.722	80%	0.804	S	S	*	*			trans	50.8	90.9	159.9	-58.8	-6.7	0	0	0	119.1
1166	H	30.1	Very low	26.4	Very low	185 Å²	185	152.5 Å²	152.5	86%	0.856	81%	0.805	S	S	*	*				-167.1	121.6	98	-113.3	-75	0	0	0	112.6
1167	E	23.4	Very low	26.1	Very low	177 Å²	177	156.3 Å²	156.3	83%	0.827	81%	0.811	S	S	*	*			trans	-91.9	126.2	151.6	-72.6	-168.2	131.7	0	0	108.7
1168	N	24	Very low	26	Very low	149 Å²	149	155 Å²	155	80%	0.797	81%	0.808	S	S	*	*			trans	177.1	157.7	131.6	-101.5	-70.2	0	0	0	110.7
1169	L	24.2	Very low	26	Very low	147 Å²	147	157.9 Å²	157.9	77%	0.77	82%	0.815	S	S	*	*			trans	53.4	96.1	-173.1	-73.5	85	0	0	0	115.5
1170	M	29.3	Very low	26.3	Very low	173 Å²	173	156.4 Å²	156.4	85%	0.852	81%	0.808	S	S	*	*				-166.7	101.9	93.7	-97.5	-59.6	172.2	0	0	110.5
1171	N	22.9	Very low	26.7	Very low	160 Å²	160	154 Å²	154	86%	0.856	80%	0.795	S	S	*	*			trans	-138	83.9	175	-160.6	1.9	0	0	0	109.4
1172	L	23	Very low	27.4	Very low	158 Å²	158	151.4 Å²	151.4	83%	0.827	79%	0.788	S	S	*	*			trans	-174.1	157.3	161.8	-105	162.8	0	0	0	110.9
1173	T	25.7	Very low	28	Very low	127 Å²	127	147.1 Å²	147.1	78%	0.779	76%	0.757	S	S	*	*			trans	69.6	77	173.8	66.3	0	0	0	0	119
1174	K	29.7	Very low	28.7	Very low	217 Å²	217	143 Å²	143	94%	0.943	74%	0.738	S	S	*	*				-158.8	146.4	102.9	-105.1	162.4	-173	172.3	0	111.8
1175	S	24.2	Very low	29.6	Very low	94 Å²	94	141 Å²	141	66%	0.657	73%	0.727	S	S	*	*			trans	-116.9	136.9	-156.4	43.8	0	0	0	0	114.4	Y1177	S1175-Y1177 PolarHBondContact O-N 2.81Å
1176	S	23.5	Very low	30.6	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	71%	0.708	S	S	*	*			trans	27.4	88	145.5	61.7	0	0	0	0	118.7
1177	Y	25.3	Very low	31.6	Very low	230 Å²	230	129.1 Å²	129.1	90%	0.902	67%	0.674	S	S	*	*			trans	-139.6	62.3	161.5	-97.3	-78.7	0	0	0	111.9	S1175	S1175-Y1177 PolarHBondContact O-N 2.81Å
1178	Q	26.4	Very low	33.2	Very low	160 Å²	160	124.8 Å²	124.8	75%	0.748	65%	0.654	S	S	*	*			trans	-160.6	103.5	166.9	-110.8	172	17.9	0	0	110.7	L1181	Q1178-L1181 HydrophobicContact CG-CD1 4Å
1179	N	25.6	Very low	34.8	Very low	163 Å²	163	122.1 Å²	122.1	87%	0.872	64%	0.639	S	S	*	*			trans	-160.3	60.5	168.6	-105.5	-37.9	0	0	0	111.4
1180	N	31.2	Very low	36.2	Very low	141 Å²	141	119 Å²	119	75%	0.754	62%	0.618	S	S	*	*			trans	-139.5	5	171.4	-99.6	-19.4	0	0	0	113.4
1181	L	36.1	Very low	37.8	Very low	94 Å²	94	114.2 Å²	114.2	49%	0.492	59%	0.59	S	S	.	*	H	α-helix	trans	-65.9	-26	-171.5	-85	80.8	0	0	0	117.8	Q1178 F1183 L1185	Q1178-L1181 HydrophobicContact CG-CD1 4Å; L1181-F1183 PolarHBondContact O-N 2.7Å; L1181-F1183 VanDerWaalsContact O-N 3.11Å; L1181-L1185 WeakPolarHBondContact O-CB 3.39Å; L1181-L1185 PolarHBondContact O-N 3.03Å
1182	P	40.2	Very low	39.9	Very low	102 Å²	102	110.9 Å²	110.9	66%	0.662	57%	0.569	S	S	*	*	H	α-helix	trans	-57.2	-33.7	-172.8	-27.9	35.3	0	0	0	114.7	T1186	P1182-T1186 PolarHBondContact O-N 2.75Å; P1182-T1186 PolarHBondContact O-OG1 3.05Å
1183	F	41.8	Very low	41.9	Very low	33 Å²	33	108.8 Å²	108.8	15%	0.145	55%	0.554	C	S	.	*	H	α-helix	trans	-82.7	-45	-172.4	-141.7	-91.5	0	0	0	112.7	P501 L523 K526 S527 L1181 T1186 A1187	P501-F1183 HydrophobicContact CG-CE1 4.15Å; L523-F1183 HydrophobicContact CD1-CE1 4.27Å; L523-F1183 HydrophobicContact CD1-CE2 4.43Å; L523-F1183 HydrophobicContact CD1-CZ 3.61Å; K526-F1183 HydrophobicContact CB-CE2 4.27Å; S527-F1183 VanDerWaalsContact OG-CE2 3.23Å; S527-F1183 WeakPolarHBondContact OG-CE2 3.29Å; S527-F1183 WeakPolarHBondContact OG-CZ 3.41Å; L1181-F1183 PolarHBondContact O-N 2.7Å; L1181-F1183 VanDerWaalsContact O-N 3.11Å; F1183-T1186 PolarHBondContact O-N 3.31Å; F1183-A1187 PolarHBondContact O-N 3.02Å
1184	E	41.9	Very low	43.7	Very low	95 Å²	95	103.9 Å²	103.9	44%	0.444	52%	0.523	S	S	.	.	H	α-helix	trans	-68.5	-37.6	180	-158.4	159.9	-143	0	0	110.8	R504 T1186 A1187 E1188	R504-E1184 IonicContact CZ-OE1 3.61Å; R504-E1184 IonicContact NH1-OE1 3.88Å; R504-E1184 PolarHBondContact NH1-OE1 3.27Å; R504-E1184 IonicContact NH2-OE1 2.73Å; E1184-T1186 VanDerWaalsContact C-N 3.35Å; E1184-T1186 PolarHBondContact O-N 2.72Å; E1184-A1187 PolarHBondContact O-N 2.85Å; E1184-E1188 WeakPolarHBondContact O-CB 3.12Å; E1184-E1188 PolarHBondContact O-N 2.88Å
1185	L	46.9	Very low	45.5	Very low	108 Å²	108	96.2 Å²	96.2	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-39.5	172.8	-132.7	83.5	0	0	0	112.5	L1181 N1189	L1181-L1185 WeakPolarHBondContact O-CB 3.39Å; L1181-L1185 PolarHBondContact O-N 3.03Å; L1185-N1189 WeakPolarHBondContact O-CB 3.25Å; L1185-N1189 PolarHBondContact O-N 2.8Å; L1185-N1189 VanDerWaalsContact O-N 3.11Å; L1185-N1189 PolarHBondContact O-ND2 2.84Å
1186	T	47.9	Very low	47.5	Very low	54 Å²	54	94.3 Å²	94.3	33%	0.331	47%	0.474	S	S	.	.	H	α-helix	trans	-70.3	-42.1	-179.9	-58.3	0	0	0	0	111.2	P1182 F1183 E1184 Y1190	P1182-T1186 PolarHBondContact O-N 2.75Å; P1182-T1186 PolarHBondContact O-OG1 3.05Å; F1183-T1186 PolarHBondContact O-N 3.31Å; E1184-T1186 VanDerWaalsContact C-N 3.35Å; E1184-T1186 PolarHBondContact O-N 2.72Å; T1186-Y1190 PolarHBondContact O-N 3.42Å
1187	A	49.8	Very low	49.4	Very low	16 Å²	16	92.8 Å²	92.8	13%	0.132	46%	0.457	C	S	.	.	H	α-helix	trans	-64.7	-47.1	176.9	0	0	0	0	0	112	P501 F1183 E1184 Y1190 R1191	P501-A1187 HydrophobicContact CB-CB 3.92Å; F1183-A1187 PolarHBondContact O-N 3.02Å; E1184-A1187 PolarHBondContact O-N 2.85Å; A1187-Y1190 PolarHBondContact O-N 3.01Å; A1187-R1191 WeakPolarHBondContact O-CB 3.47Å; A1187-R1191 PolarHBondContact O-N 2.95Å
1188	E	56.8	Low	51.1	Low	87 Å²	87	86 Å²	86	41%	0.407	43%	0.432	S	S	.	.	H	α-helix	trans	-72.4	-32.8	-175.7	-155.4	66.7	-172	0	0	112	E1184 Y1190 R1191 Q1192	E1184-E1188 WeakPolarHBondContact O-CB 3.12Å; E1184-E1188 PolarHBondContact O-N 2.88Å; E1188-Y1190 PolarHBondContact O-N 2.74Å; E1188-R1191 PolarHBondContact O-N 2.94Å; E1188-R1191 WeakPolarHBondContact OE1-CD 3.35Å; E1188-R1191 IonicContact OE1-CZ 3.87Å; E1188-R1191 IonicContact OE1-NE 3.97Å; E1188-R1191 IonicContact OE1-NH1 3.43Å; E1188-R1191 PolarHBondContact OE1-NH1 2.68Å; E1188-R1191 VanDerWaalsContact OE1-NH1 3.09Å; E1188-R1191 WeakPolarHBondContact OE2-CD 3.44Å; E1188-R1191 IonicContact OE2-CZ 2.8Å; E1188-R1191 IonicContact OE2-NE 3.96Å; E1188-R1191 IonicContact OE2-NH1 3.81Å; E1188-R1191 PolarHBondContact OE2-NH1 3.14Å; E1188-Q1192 WeakPolarHBondContact O-CB 3.29Å; E1188-Q1192 PolarHBondContact O-N 3.16Å
1189	N	57.7	Low	52.6	Low	92 Å²	92	83.5 Å²	83.5	49%	0.492	42%	0.42	S	S	.	.	H	α-helix	trans	-62.1	-39.4	170.4	-88.8	-74.9	0	0	0	112.8	L1185 K1193	L1185-N1189 WeakPolarHBondContact O-CB 3.25Å; L1185-N1189 PolarHBondContact O-N 2.8Å; L1185-N1189 VanDerWaalsContact O-N 3.11Å; L1185-N1189 PolarHBondContact O-ND2 2.84Å; N1189-K1193 WeakPolarHBondContact O-CG 3.46Å; N1189-K1193 PolarHBondContact O-N 2.64Å
1190	Y	54.9	Low	54	Low	81 Å²	81	81.1 Å²	81.1	32%	0.318	40%	0.402	S	S	.	.	H	α-helix	trans	-69.8	-40.4	174.1	-101.3	-83.7	0	0	0	112	A517 L518 T1186 A1187 E1188 K1193 L1194	A517-Y1190 HydrophobicContact CB-CE1 4.47Å; A517-Y1190 WeakPolarHBondContact O-CE1 3.38Å; L518-Y1190 HydrophobicContact CD2-CD1 3.99Å; L518-Y1190 HydrophobicContact CD2-CD2 3.76Å; L518-Y1190 HydrophobicContact CD2-CE1 4Å; L518-Y1190 HydrophobicContact CD2-CE2 3.76Å; L518-Y1190 HydrophobicContact CD2-CG 3.87Å; L518-Y1190 HydrophobicContact CG-CD1 4.49Å; T1186-Y1190 PolarHBondContact O-N 3.42Å; A1187-Y1190 PolarHBondContact O-N 3.01Å; E1188-Y1190 PolarHBondContact O-N 2.74Å; Y1190-K1193 PolarHBondContact O-N 3.12Å; Y1190-L1194 PolarHBondContact O-N 3.11Å
1191	R	61.5	Low	54.9	Low	73 Å²	73	80.3 Å²	80.3	28%	0.275	39%	0.394	S	S	.	.	H	α-helix	trans	-61.2	-45.9	176.6	-168.7	-170.2	-169.8	178.5	-0.4	111.6	I505 A1187 E1188 L1194 I1195	I505-R1191 HydrophobicContact CD1-CG 4.28Å; A1187-R1191 WeakPolarHBondContact O-CB 3.47Å; A1187-R1191 PolarHBondContact O-N 2.95Å; E1188-R1191 PolarHBondContact O-N 2.94Å; E1188-R1191 WeakPolarHBondContact OE1-CD 3.35Å; E1188-R1191 IonicContact OE1-CZ 3.87Å; E1188-R1191 IonicContact OE1-NE 3.97Å; E1188-R1191 IonicContact OE1-NH1 3.43Å; E1188-R1191 PolarHBondContact OE1-NH1 2.68Å; E1188-R1191 VanDerWaalsContact OE1-NH1 3.09Å; E1188-R1191 WeakPolarHBondContact OE2-CD 3.44Å; E1188-R1191 IonicContact OE2-CZ 2.8Å; E1188-R1191 IonicContact OE2-NE 3.96Å; E1188-R1191 IonicContact OE2-NH1 3.81Å; E1188-R1191 PolarHBondContact OE2-NH1 3.14Å; R1191-L1194 PolarHBondContact O-N 3.48Å; R1191-I1195 HydrophobicContact CG-CD1 4.07Å; R1191-I1195 WeakPolarHBondContact O-CG1 3.21Å; R1191-I1195 PolarHBondContact O-N 3.18Å
1192	Q	67.7	Low	55.3	Low	90 Å²	90	79.7 Å²	79.7	42%	0.421	40%	0.397	S	S	.	.	H	α-helix	trans	-62	-50.9	177.4	-168.8	60.3	52	0	0	110.7	E1188 L1194 I1195 D1196	E1188-Q1192 WeakPolarHBondContact O-CB 3.29Å; E1188-Q1192 PolarHBondContact O-N 3.16Å; Q1192-L1194 PolarHBondContact O-N 3.15Å; Q1192-L1194 VanDerWaalsContact O-N 3.16Å; Q1192-I1195 CarbonylContact O-C 3.57Å; Q1192-I1195 WeakPolarHBondContact O-CA 3.17Å; Q1192-I1195 WeakPolarHBondContact O-CB 3.02Å; Q1192-I1195 PolarHBondContact O-N 2.77Å; Q1192-D1196 PolarHBondContact NE2-OD1 2.79Å; Q1192-D1196 PolarHBondContact O-N 3.02Å
1193	K	66.1	Low	55.4	Low	114 Å²	114	80.4 Å²	80.4	50%	0.496	39%	0.392	S	S	.	.	H	α-helix	trans	-54.7	-36.9	175.9	-76.5	179.1	177.9	-178.9	0	113.5	N1189 Y1190 N1197	N1189-K1193 WeakPolarHBondContact O-CG 3.46Å; N1189-K1193 PolarHBondContact O-N 2.64Å; Y1190-K1193 PolarHBondContact O-N 3.12Å; K1193-N1197 WeakPolarHBondContact O-CB 3.45Å; K1193-N1197 VanDerWaalsContact O-CG 3.24Å; K1193-N1197 PolarHBondContact O-N 2.82Å; K1193-N1197 PolarHBondContact O-ND2 2.87Å
1194	L	61.7	Low	55.4	Low	25 Å²	25	84.3 Å²	84.3	13%	0.131	41%	0.41	C	S	.	.	H	α-helix	trans	-74.9	-36.3	176.1	-78.9	165.3	0	0	0	112.8	L510 M514 Y1190 R1191 Q1192 N1197 K1198	L510-L1194 HydrophobicContact CD1-CB 4.17Å; M514-L1194 HydrophobicContact CB-CD1 4.26Å; M514-L1194 HydrophobicContact CG-CD1 3.4Å; M514-L1194 VanDerWaalsContact CG-CD1 3.4Å; Y1190-L1194 PolarHBondContact O-N 3.11Å; R1191-L1194 PolarHBondContact O-N 3.48Å; Q1192-L1194 PolarHBondContact O-N 3.15Å; Q1192-L1194 VanDerWaalsContact O-N 3.16Å; L1194-N1197 PolarHBondContact O-N 3.23Å; L1194-K1198 VanDerWaalsContact O-CB 3.27Å; L1194-K1198 WeakPolarHBondContact O-CB 3.49Å; L1194-K1198 PolarHBondContact O-N 3.07Å
1195	I	68.5	Low	55.2	Low	56 Å²	56	88.2 Å²	88.2	29%	0.287	43%	0.426	S	S	.	.	H	α-helix	trans	-61.8	-48	170.6	-70.7	165.9	0	0	0	110	R1191 Q1192 N1197 K1198 Q1199	R1191-I1195 HydrophobicContact CG-CD1 4.07Å; R1191-I1195 WeakPolarHBondContact O-CG1 3.21Å; R1191-I1195 PolarHBondContact O-N 3.18Å; Q1192-I1195 CarbonylContact O-C 3.57Å; Q1192-I1195 WeakPolarHBondContact O-CA 3.17Å; Q1192-I1195 WeakPolarHBondContact O-CB 3.02Å; Q1192-I1195 PolarHBondContact O-N 2.77Å; I1195-N1197 VanDerWaalsContact C-N 3.32Å; I1195-N1197 PolarHBondContact O-N 3.48Å; I1195-K1198 PolarHBondContact O-N 3.32Å; I1195-Q1199 HydrophobicContact CG2-CG 4.49Å; I1195-Q1199 WeakPolarHBondContact O-CG 3.29Å; I1195-Q1199 PolarHBondContact O-N 2.84Å
1196	D	66.9	Low	54.8	Low	53 Å²	53	86.7 Å²	86.7	28%	0.283	42%	0.424	S	S	.	.	H	α-helix	trans	-59.5	-41.9	178.8	-56.8	-22.4	0	0	0	111.4	Q1192 Q1199 K1200	Q1192-D1196 PolarHBondContact NE2-OD1 2.79Å; Q1192-D1196 PolarHBondContact O-N 3.02Å; D1196-Q1199 PolarHBondContact O-N 2.78Å; D1196-K1200 WeakPolarHBondContact O-CB 3.12Å; D1196-K1200 VanDerWaalsContact O-CG 3.28Å; D1196-K1200 WeakPolarHBondContact O-CG 3.25Å; D1196-K1200 PolarHBondContact O-N 3.04Å
1197	N	61.8	Low	54.1	Low	82 Å²	82	91.5 Å²	91.5	44%	0.439	45%	0.445	S	S	.	.	H	α-helix	trans	-70.8	-37.5	176.3	-74.7	-14	0	0	0	112.6	K1193 L1194 I1195 Q1199 K1200 H1201	K1193-N1197 WeakPolarHBondContact O-CB 3.45Å; K1193-N1197 VanDerWaalsContact O-CG 3.24Å; K1193-N1197 PolarHBondContact O-N 2.82Å; K1193-N1197 PolarHBondContact O-ND2 2.87Å; L1194-N1197 PolarHBondContact O-N 3.23Å; I1195-N1197 VanDerWaalsContact C-N 3.32Å; I1195-N1197 PolarHBondContact O-N 3.48Å; N1197-Q1199 VanDerWaalsContact C-N 3.32Å; N1197-K1200 PolarHBondContact O-N 2.89Å; N1197-H1201 PolarHBondContact O-N 3.15Å
1198	K	62.6	Low	53.2	Low	86 Å²	86	98.1 Å²	98.1	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-34	175.4	-156	164.7	-175.8	169	0	110.7	D507 L1194 I1195 S1202	D507-K1198 IonicContact OD2-NZ 2.72Å; D507-K1198 PolarHBondContact OD2-NZ 2.82Å; L1194-K1198 VanDerWaalsContact O-CB 3.27Å; L1194-K1198 WeakPolarHBondContact O-CB 3.49Å; L1194-K1198 PolarHBondContact O-N 3.07Å; I1195-K1198 PolarHBondContact O-N 3.32Å; K1198-S1202 WeakPolarHBondContact O-CB 2.95Å; K1198-S1202 PolarHBondContact O-N 2.98Å; K1198-S1202 VanDerWaalsContact O-N 3.09Å
1199	Q	56.9	Low	51.8	Low	109 Å²	109	98.1 Å²	98.1	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-67.5	-47.2	169.6	-71.4	-177.2	18.3	0	0	112.3	I1195 D1196 N1197 H1201 S1202 Q1203	I1195-Q1199 HydrophobicContact CG2-CG 4.49Å; I1195-Q1199 WeakPolarHBondContact O-CG 3.29Å; I1195-Q1199 PolarHBondContact O-N 2.84Å; D1196-Q1199 PolarHBondContact O-N 2.78Å; N1197-Q1199 VanDerWaalsContact C-N 3.32Å; Q1199-H1201 PolarHBondContact O-N 2.84Å; Q1199-S1202 WeakPolarHBondContact O-CA 3.37Å; Q1199-S1202 WeakPolarHBondContact O-CB 3.43Å; Q1199-S1202 PolarHBondContact O-N 2.78Å; Q1199-S1202 VanDerWaalsContact O-N 3.08Å; Q1199-Q1203 WeakPolarHBondContact O-CG 3.37Å; Q1199-Q1203 PolarHBondContact O-N 3.32Å
1200	K	55.5	Low	50.3	Low	113 Å²	113	99.9 Å²	99.9	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-59.1	-42.2	176.6	-75.8	166.5	-176.4	170.1	0	112.7	D1196 N1197 Q1203 Q1204	D1196-K1200 WeakPolarHBondContact O-CB 3.12Å; D1196-K1200 VanDerWaalsContact O-CG 3.28Å; D1196-K1200 WeakPolarHBondContact O-CG 3.25Å; D1196-K1200 PolarHBondContact O-N 3.04Å; N1197-K1200 PolarHBondContact O-N 2.89Å; K1200-Q1203 PolarHBondContact O-N 3.02Å; K1200-Q1204 WeakPolarHBondContact O-CG 3.16Å; K1200-Q1204 PolarHBondContact O-N 3.22Å
1201	H	50	Low	49	Very low	123 Å²	123	105.7 Å²	105.7	57%	0.569	53%	0.528	S	S	*	.	H	α-helix	trans	-69.9	-29.9	174.1	-85.5	-42	0	0	0	113.6	N1197 Q1199 Q1204 K1205	N1197-H1201 PolarHBondContact O-N 3.15Å; Q1199-H1201 PolarHBondContact O-N 2.84Å; H1201-Q1204 PolarHBondContact ND1-OE1 3.34Å; H1201-Q1204 VanDerWaalsContact ND1-OE1 3.11Å; H1201-K1205 WeakPolarHBondContact O-CG 3.2Å; H1201-K1205 PolarHBondContact O-N 2.71Å
1202	S	44.3	Very low	47.4	Very low	81 Å²	81	109.8 Å²	109.8	57%	0.566	56%	0.555	S	S	*	*	H	α-helix	trans	-64.3	-47.7	170.3	-163.4	0	0	0	0	110.9	K1198 Q1199 Q1204 K1205 S1206	K1198-S1202 WeakPolarHBondContact O-CB 2.95Å; K1198-S1202 PolarHBondContact O-N 2.98Å; K1198-S1202 VanDerWaalsContact O-N 3.09Å; Q1199-S1202 WeakPolarHBondContact O-CA 3.37Å; Q1199-S1202 WeakPolarHBondContact O-CB 3.43Å; Q1199-S1202 PolarHBondContact O-N 2.78Å; Q1199-S1202 VanDerWaalsContact O-N 3.08Å; S1202-Q1204 PolarHBondContact O-N 3.22Å; S1202-K1205 PolarHBondContact O-N 3.38Å; S1202-K1205 VanDerWaalsContact O-N 3.13Å; S1202-S1206 PolarHBondContact O-N 3.2Å; S1202-S1206 PolarHBondContact O-OG 3.02Å
1203	Q	41.4	Very low	45.5	Very low	117 Å²	117	113 Å²	113	55%	0.547	58%	0.581	S	S	.	*	H	α-helix	trans	-61.7	-40.8	176.8	-72.3	174.5	-14.8	0	0	112.5	Q1199 K1200 K1205 S1206 M1207	Q1199-Q1203 WeakPolarHBondContact O-CG 3.37Å; Q1199-Q1203 PolarHBondContact O-N 3.32Å; K1200-Q1203 PolarHBondContact O-N 3.02Å; Q1203-K1205 PolarHBondContact O-N 3.46Å; Q1203-S1206 WeakPolarHBondContact CA-OG 3.24Å; Q1203-S1206 PolarHBondContact O-N 3.24Å; Q1203-S1206 PolarHBondContact O-OG 2.99Å; Q1203-M1207 VanDerWaalsContact O-CG 3.28Å; Q1203-M1207 WeakPolarHBondContact O-CG 3.11Å; Q1203-M1207 PolarHBondContact O-N 3.38Å
1204	Q	41.8	Very low	43.7	Very low	115 Å²	115	110.5 Å²	110.5	54%	0.537	59%	0.587	S	S	.	*	H	α-helix	trans	-64.8	-36.4	173.3	-75.6	178.3	-18.7	0	0	112.8	K1200 H1201 S1202 S1206 M1207	K1200-Q1204 WeakPolarHBondContact O-CG 3.16Å; K1200-Q1204 PolarHBondContact O-N 3.22Å; H1201-Q1204 PolarHBondContact ND1-OE1 3.34Å; H1201-Q1204 VanDerWaalsContact ND1-OE1 3.11Å; S1202-Q1204 PolarHBondContact O-N 3.22Å; Q1204-S1206 VanDerWaalsContact C-N 3.32Å; Q1204-S1206 PolarHBondContact O-N 2.79Å; Q1204-M1207 PolarHBondContact O-N 3.17Å
1205	K	39.4	Very low	42.2	Very low	178 Å²	178	115.7 Å²	115.7	77%	0.774	61%	0.611	S	S	*	*	H	α-helix	trans	-70.6	-24.4	174.2	-78	-171.4	174.8	-173.9	0	113.4	H1201 S1202 Q1203	H1201-K1205 WeakPolarHBondContact O-CG 3.2Å; H1201-K1205 PolarHBondContact O-N 2.71Å; S1202-K1205 PolarHBondContact O-N 3.38Å; S1202-K1205 VanDerWaalsContact O-N 3.13Å; Q1203-K1205 PolarHBondContact O-N 3.46Å
1206	S	36.6	Very low	40.2	Very low	75 Å²	75	118.1 Å²	118.1	52%	0.524	63%	0.633	S	S	.	*	H	α-helix	trans	-81.6	-10.6	170.3	52.5	0	0	0	0	115.1	S1202 Q1203 Q1204	S1202-S1206 PolarHBondContact O-N 3.2Å; S1202-S1206 PolarHBondContact O-OG 3.02Å; Q1203-S1206 WeakPolarHBondContact CA-OG 3.24Å; Q1203-S1206 PolarHBondContact O-N 3.24Å; Q1203-S1206 PolarHBondContact O-OG 2.99Å; Q1204-S1206 VanDerWaalsContact C-N 3.32Å; Q1204-S1206 PolarHBondContact O-N 2.79Å
1207	M	33.3	Very low	38.4	Very low	156 Å²	156	123.5 Å²	123.5	77%	0.768	66%	0.66	S	S	*	*	H	α-helix	trans	-90.3	-15.7	-177.9	-75.7	-78.6	-172	0	0	114.3	Q1203 Q1204	Q1203-M1207 VanDerWaalsContact O-CG 3.28Å; Q1203-M1207 WeakPolarHBondContact O-CG 3.11Å; Q1203-M1207 PolarHBondContact O-N 3.38Å; Q1204-M1207 PolarHBondContact O-N 3.17Å
1208	N	31.4	Very low	36.8	Very low	155 Å²	155	127 Å²	127	83%	0.829	67%	0.673	S	S	*	*	S	Bend	trans	-109.2	23.3	-172.9	-79.3	-6.2	0	0	0	114.2
1209	S	27.3	Very low	35.7	Very low	86 Å²	86	126.8 Å²	126.8	60%	0.601	68%	0.681	S	S	*	*	S	Bend	trans	-135.7	31.3	-172.9	60.1	0	0	0	0	115.3
1210	T	27.2	Very low	34.2	Very low	129 Å²	129	125.5 Å²	125.5	79%	0.791	68%	0.68	S	S	*	*			trans	-154.6	88.3	170.2	0.2	0	0	0	0	113.3
1211	K	27.8	Very low	32.7	Very low	203 Å²	203	127.8 Å²	127.8	88%	0.883	70%	0.697	S	S	*	*			trans	-160.7	141.2	156	-115.7	167.6	-175.4	177.8	0	111.4
1212	L	27	Very low	31.5	Very low	160 Å²	160	130.5 Å²	130.5	84%	0.838	71%	0.71	S	S	*	*			trans	65.8	72	164.3	-60.5	170.6	0	0	0	119.2
1213	V	28.9	Very low	30.7	Very low	157 Å²	157	132 Å²	132	95%	0.952	72%	0.716	S	S	*	*				-143.1	129.2	122.1	-172.8	0	0	0	0	107
1214	G	28	Very low	30.1	Very low	62 Å²	62	130.2 Å²	130.2	64%	0.639	72%	0.716	S	S	*	*			cis	167	142.6	-9.6	0	0	0	0	0	110.6
1215	Q	29.7	Very low	29.5	Very low	133 Å²	133	133.7 Å²	133.7	62%	0.621	73%	0.73	S	S	*	*			trans	-136.9	131.8	158.9	-74.9	-164.4	-0.4	0	0	108.4
1216	S	26.1	Very low	28.9	Very low	107 Å²	107	132 Å²	132	75%	0.748	73%	0.729	S	S	*	*			trans	-134.7	123.3	173.1	48	0	0	0	0	108.7
1217	I	29.8	Very low	28.3	Very low	167 Å²	167	135.5 Å²	135.5	86%	0.856	74%	0.739	S	S	*	*			trans	-118.9	144.7	163	-62.3	-177.6	0	0	0	107
1218	H	27.1	Very low	28.1	Very low	156 Å²	156	135.6 Å²	135.6	72%	0.722	74%	0.737	S	S	*	*			trans	-150.9	167	-162.3	-116.4	-109.2	0	0	0	105.2
1219	P	39.3	Very low	28.2	Very low	81 Å²	81	134.9 Å²	134.9	53%	0.526	73%	0.729	S	S	.	*			cis	-152.6	-161.5	-38.8	40	-19.5	0	0	0	114.4
1220	T	25.7	Very low	28.2	Very low	82 Å²	82	136.9 Å²	136.9	50%	0.503	73%	0.733	S	S	.	*			trans	82.8	111.7	144.6	45.5	0	0	0	0	121.6	R1380	T1220-R1380 PolarHBondContact OG1-NH2 3.33Å; T1220-R1380 VanDerWaalsContact OG1-NH2 3.11Å
1221	L	23.8	Very low	28.2	Very low	160 Å²	160	140 Å²	140	84%	0.838	73%	0.73	S	S	*	*				69.3	121.3	124	-66.8	166.7	0	0	0	120.6
1222	E	26.4	Very low	28	Very low	180 Å²	180	140.2 Å²	140.2	84%	0.841	73%	0.725	S	S	*	*				-152.6	126.5	119.2	-94	-155.8	166.8	0	0	107.5
1223	T	27.1	Very low	28.1	Very low	114 Å²	114	138.3 Å²	138.3	70%	0.699	73%	0.726	S	S	*	*				55.8	137.4	96.1	43.2	0	0	0	0	116.3
1224	S	27.7	Very low	27.9	Very low	79 Å²	79	138.1 Å²	138.1	55%	0.552	72%	0.718	S	S	*	*			cis	-174.8	172.2	2.3	53.1	0	0	0	0	114.2
1225	K	30.9	Very low	27.9	Very low	188 Å²	188	141.5 Å²	141.5	82%	0.817	73%	0.726	S	S	*	*			trans	68	166.1	151.3	-68.9	155.6	-167.7	166.4	0	119.2
1226	N	26.2	Very low	27.6	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	73%	0.732	S	S	*	*				-166.2	154.9	-51.8	-138.1	-1.5	0	0	0	111.9
1227	M	23.5	Very low	27.7	Very low	148 Å²	148	145.1 Å²	145.1	73%	0.729	74%	0.739	S	S	*	*			trans	52.2	116.5	156.1	-68.6	-163.6	70.8	0	0	123.2
1228	H	30.3	Very low	27.4	Very low	158 Å²	158	141.1 Å²	141.1	73%	0.731	73%	0.726	S	S	*	*			trans	166.3	153.1	131.6	-88.9	-0.5	0	0	0	108.7
1229	Q	31.5	Very low	27.3	Very low	140 Å²	140	140.1 Å²	140.1	65%	0.654	73%	0.726	S	S	*	*			cis	-156.5	167.7	-12	-115.1	-179.7	51.5	0	0	109.6
1230	N	28	Very low	26.5	Very low	127 Å²	127	143.6 Å²	143.6	68%	0.679	74%	0.741	S	S	*	*			trans	23.6	133.5	159.4	-60.8	-44.8	0	0	0	122.2
1231	R	26.7	Very low	26.5	Very low	196 Å²	196	142.9 Å²	142.9	74%	0.74	75%	0.749	S	S	*	*			cis	97.9	125.4	37.4	-96.7	-169.6	164.5	-178.6	-1	115.5
1232	R	25.4	Very low	26.5	Very low	206 Å²	206	140.3 Å²	140.3	78%	0.777	74%	0.744	S	S	*	*			trans	74	153.4	158.5	-63.3	170.8	174.5	173.5	-6.2	114.6
1233	S	27.8	Very low	26.7	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	74%	0.738	S	S	*	*			cis	-139.1	-172.5	32.2	-65.6	0	0	0	0	115.6
1234	I	24.2	Very low	26.7	Very low	153 Å²	153	137.7 Å²	137.7	79%	0.785	74%	0.736	S	S	*	*			trans	-124	134.8	-171.9	-62.4	161.7	0	0	0	110.6
1235	T	27.9	Very low	26.7	Very low	132 Å²	132	140.2 Å²	140.2	81%	0.81	74%	0.744	S	S	*	*			trans	-174.4	124.1	145.9	26.7	0	0	0	0	107.2
1236	N	23.8	Very low	26.6	Very low	141 Å²	141	138.3 Å²	138.3	75%	0.754	74%	0.741	S	S	*	*				54.6	107	73.4	-80.6	2.9	0	0	0	114.9
1237	I	28.8	Very low	26.7	Very low	175 Å²	175	142.1 Å²	142.1	90%	0.897	75%	0.745	S	S	*	*				178.7	164.8	120.6	-91.1	160.6	0	0	0	110.4
1238	S	23.8	Very low	27.1	Very low	84 Å²	84	143.8 Å²	143.8	59%	0.587	75%	0.751	S	S	*	*			trans	-100.3	169.5	-155.1	58.1	0	0	0	0	117.4
1239	N	24	Very low	27.1	Very low	134 Å²	134	141 Å²	141	72%	0.717	75%	0.75	S	S	*	*			trans	83.5	132.1	142.2	-70.2	-8.4	0	0	0	122.4
1240	N	23.4	Very low	27.1	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	76%	0.758	S	S	*	*			trans	71.6	154.3	141	-60.2	-6.3	0	0	0	120.9
1241	G	26	Very low	27.3	Very low	66 Å²	66	143.2 Å²	143.2	68%	0.68	76%	0.76	S	S	*	*			trans	94.3	105.5	-176.1	0	0	0	0	0	111.7
1242	S	22.9	Very low	27.3	Very low	106 Å²	106	140.3 Å²	140.3	74%	0.741	76%	0.759	S	S	*	*			cis	85.9	155.2	33.3	89.3	0	0	0	0	115.5
1243	T	29.8	Very low	27.6	Very low	114 Å²	114	138 Å²	138	70%	0.699	76%	0.757	S	S	*	*			trans	64	95	166.2	52.7	0	0	0	0	118.9
1244	D	28.4	Very low	28	Very low	125 Å²	125	140.8 Å²	140.8	67%	0.668	75%	0.753	S	S	*	*				89.4	115.8	110.8	-65.8	-31.6	0	0	0	123.8
1245	N	26.8	Very low	28.7	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	76%	0.756	S	S	*	*				62	132.1	126.5	-51.6	-40.7	0	0	0	119
1246	L	29.8	Very low	28.9	Very low	147 Å²	147	141.2 Å²	141.2	77%	0.77	74%	0.744	S	S	*	*				-157.6	153.8	53.7	-84.5	164.6	0	0	0	114.4
1247	R	27.8	Very low	29.5	Very low	223 Å²	223	142.3 Å²	142.3	84%	0.842	75%	0.745	S	S	*	*			trans	52.5	112.3	147.7	-67.7	175.9	175.9	-176.1	-2.3	120.6
1248	E	31.3	Very low	29.8	Very low	183 Å²	183	141.7 Å²	141.7	86%	0.855	74%	0.743	S	S	*	*				-178	101.3	106.7	-93.9	-178.9	-179	0	0	107.5
1249	S	31.7	Very low	30.4	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	74%	0.74	S	S	*	*				75.6	114.1	81	68.1	0	0	0	0	115.5
1250	E	29.7	Very low	31	Very low	177 Å²	177	139.6 Å²	139.6	83%	0.827	74%	0.737	S	S	*	*			trans	60	92.6	150.4	-56.7	-170.5	169.6	0	0	120.2
1251	N	33	Very low	31.5	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	73%	0.728	S	S	*	*				-170.1	38.1	118.5	-106.8	-76	0	0	0	114.3	E1253	N1251-E1253 VanDerWaalsContact C-N 3.27Å; N1251-E1253 PolarHBondContact O-N 3.18Å
1252	L	28	Very low	32.1	Very low	136 Å²	136	138.9 Å²	138.9	71%	0.712	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	5.5	-170.9	-161.1	60.1	0	0	0	115.6
1253	E	31.5	Very low	32.8	Very low	157 Å²	157	142 Å²	142	73%	0.734	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	3.4	-166.4	-141.4	60.4	-108.1	0	0	116	N1251	N1251-E1253 VanDerWaalsContact C-N 3.27Å; N1251-E1253 PolarHBondContact O-N 3.18Å
1254	K	35.3	Very low	33.3	Very low	179 Å²	179	139.8 Å²	139.8	78%	0.778	71%	0.714	S	S	*	*	S	Bend	trans	-121.6	-9.7	179.7	-76	176.8	-179.7	166.2	0	116.1
1255	I	38.3	Very low	33.8	Very low	162 Å²	162	139.9 Å²	139.9	83%	0.831	71%	0.714	S	S	*	*	S	Bend	trans	-104.9	37.3	178.2	-41.2	-174.9	0	0	0	111.6
1256	K	32.8	Very low	34.4	Very low	132 Å²	132	137.6 Å²	137.6	57%	0.574	70%	0.702	S	S	*	*	S	Bend	trans	-124.9	-12.9	172.3	-77.1	178.1	-180	165.3	0	115.1
1257	Q	36.3	Very low	34.8	Very low	164 Å²	164	133.6 Å²	133.6	77%	0.766	69%	0.69	S	S	*	*	S	Bend	trans	-92	-13.3	-176.2	-70.2	-165.7	-7.6	0	0	115.9
1258	L	34.8	Very low	35.2	Very low	162 Å²	162	130.8 Å²	130.8	85%	0.848	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-1.5	176.4	-71.3	173	0	0	0	114.6
1259	G	37.2	Very low	35.6	Very low	52 Å²	52	128.1 Å²	128.1	54%	0.536	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.3	-8.2	171	0	0	0	0	0	115
1260	L	35.8	Very low	35.7	Very low	123 Å²	123	130.5 Å²	130.5	64%	0.644	67%	0.673	S	S	*	*	S	Bend	trans	-107	-2.3	-165.7	-95.1	158.5	0	0	0	115.8	T1264	L1260-T1264 PolarHBondContact O-OG1 2.82Å
1261	L	35.4	Very low	35.8	Very low	125 Å²	125	125.5 Å²	125.5	65%	0.654	66%	0.662	S	S	*	*	S	Bend	trans	-95.3	-30.3	170.1	-80.5	164.4	0	0	0	112.9	K1263 T1264	L1261-K1263 VanDerWaalsContact C-N 3.28Å; L1261-K1263 PolarHBondContact O-N 3.49Å; L1261-T1264 PolarHBondContact O-N 3.24Å; L1261-T1264 VanDerWaalsContact O-N 3.16Å
1262	A	38.5	Very low	35.8	Very low	80 Å²	80	123 Å²	123	66%	0.661	66%	0.655	S	S	*	*	H	α-helix	trans	-66.4	-24.9	179.6	0	0	0	0	0	114
1263	K	36	Very low	36.1	Very low	172 Å²	172	123.9 Å²	123.9	75%	0.748	66%	0.66	S	S	*	*	H	α-helix	trans	-91.3	-4.3	176.2	-68.5	-175.4	175.8	-178.7	0	114	L1261	L1261-K1263 VanDerWaalsContact C-N 3.28Å; L1261-K1263 PolarHBondContact O-N 3.49Å
1264	T	40.3	Very low	35.9	Very low	68 Å²	68	120.3 Å²	120.3	42%	0.417	66%	0.658	S	S	.	*	H	α-helix	trans	-105.4	-12.4	-171.8	-48.1	0	0	0	0	112.6	L1260 L1261	L1260-T1264 PolarHBondContact O-OG1 2.82Å; L1261-T1264 PolarHBondContact O-N 3.24Å; L1261-T1264 VanDerWaalsContact O-N 3.16Å
1265	L	39.3	Very low	35.5	Very low	126 Å²	126	119.3 Å²	119.3	66%	0.66	66%	0.661	S	S	*	*	H	α-helix	trans	-85.9	-45.5	167.6	-110	71.2	0	0	0	112.7	A1267 K1268 L1269	L1265-A1267 PolarHBondContact O-N 3.17Å; L1265-K1268 PolarHBondContact O-N 3.44Å; L1265-L1269 PolarHBondContact O-N 2.8Å
1266	D	39.9	Very low	35.1	Very low	86 Å²	86	118.9 Å²	118.9	46%	0.46	67%	0.666	S	S	.	*	H	α-helix	trans	-66.6	-23.3	178.9	-168.7	47.9	0	0	0	112.3	K1270	D1266-K1270 PolarHBondContact O-N 3.15Å; D1266-K1270 IonicContact OD1-NZ 2.88Å; D1266-K1270 PolarHBondContact OD1-NZ 3.3Å; D1266-K1270 IonicContact OD2-NZ 2.67Å; D1266-K1270 PolarHBondContact OD2-NZ 3.08Å
1267	A	37.4	Very low	34.7	Very low	63 Å²	63	117.1 Å²	117.1	52%	0.521	68%	0.676	S	S	.	*	H	α-helix	trans	-75.9	-14.8	169.5	0	0	0	0	0	114.4	L1265	L1265-A1267 PolarHBondContact O-N 3.17Å
1268	K	37.4	Very low	34.3	Very low	164 Å²	164	115 Å²	115	71%	0.713	68%	0.679	S	S	*	*	H	α-helix	trans	-101.8	-27.3	175	-77.3	-171.1	173	-176.3	0	113.4	L1265 K1270 A1271	L1265-K1268 PolarHBondContact O-N 3.44Å; K1268-K1270 VanDerWaalsContact C-N 3.29Å; K1268-A1271 PolarHBondContact O-N 3.26Å
1269	L	38.8	Very low	34.1	Very low	127 Å²	127	112.1 Å²	112.1	67%	0.665	68%	0.679	S	S	*	*	H	α-helix	trans	-75.6	-14.4	171.4	-94.3	156.8	0	0	0	114	L1265	L1265-L1269 PolarHBondContact O-N 2.8Å
1270	K	35	Very low	33.8	Very low	150 Å²	150	116.6 Å²	116.6	65%	0.652	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	5.3	168.4	-73.5	162.8	-179.4	143.2	0	113.7	D1266 K1268	D1266-K1270 PolarHBondContact O-N 3.15Å; D1266-K1270 IonicContact OD1-NZ 2.88Å; D1266-K1270 PolarHBondContact OD1-NZ 3.3Å; D1266-K1270 IonicContact OD2-NZ 2.67Å; D1266-K1270 PolarHBondContact OD2-NZ 3.08Å; K1268-K1270 VanDerWaalsContact C-N 3.29Å
1271	A	32	Very low	33.3	Very low	72 Å²	72	115.2 Å²	115.2	60%	0.595	70%	0.697	S	S	*	*	S	Bend	trans	-112.4	9.5	-176.7	0	0	0	0	0	114.6	K1268	K1268-A1271 PolarHBondContact O-N 3.26Å
1272	S	33.1	Very low	33	Very low	84 Å²	84	116 Å²	116	59%	0.587	70%	0.702	S	S	*	*	S	Bend	trans	-118.1	0.3	175.9	71.5	0	0	0	0	115.2
1273	N	32.3	Very low	32.3	Very low	154 Å²	154	121 Å²	121	82%	0.824	71%	0.705	S	S	*	*	S	Bend	trans	-110.8	32.9	178.4	-78.8	-3.2	0	0	0	112.5
1274	A	28	Very low	31.8	Very low	82 Å²	82	119.2 Å²	119.2	68%	0.678	70%	0.699	S	S	*	*	S	Bend	trans	-142.5	42	-178.7	0	0	0	0	0	112.1
1275	N	27.4	Very low	31.2	Very low	157 Å²	157	124.3 Å²	124.3	84%	0.84	72%	0.716	S	S	*	*	S	Bend	trans	-151	39.5	179.7	-114.4	-21	0	0	0	114.5
1276	T	28.9	Very low	30.5	Very low	154 Å²	154	123.2 Å²	123.2	95%	0.945	72%	0.718	S	S	*	*	S	Bend	trans	-159.1	46.1	164.4	10.6	0	0	0	0	112.7
1277	A	26.1	Very low	29.9	Very low	95 Å²	95	125.8 Å²	125.8	79%	0.785	73%	0.729	S	S	*	*	S	Bend	trans	-137.6	141.2	166.2	0	0	0	0	0	109
1278	S	28	Very low	29.6	Very low	119 Å²	119	130.2 Å²	130.2	83%	0.832	74%	0.744	S	S	*	*			trans	63.5	54	-175	-165.5	0	0	0	0	116.3
1279	A	30.1	Very low	29.1	Very low	101 Å²	101	128.7 Å²	128.7	84%	0.835	74%	0.74	S	S	*	*	S	Bend	trans	-99.8	89.8	145.2	0	0	0	0	0	108.5
1280	N	29.8	Very low	28.7	Very low	146 Å²	146	130.4 Å²	130.4	78%	0.781	74%	0.744	S	S	*	*			trans	16.8	103.2	170.6	-62	-5.5	0	0	0	118.8
1281	A	25.4	Very low	28.4	Very low	95 Å²	95	126.7 Å²	126.7	79%	0.785	74%	0.742	S	S	*	*			trans	-89.6	110.9	135.3	0	0	0	0	0	108.1
1282	N	28.7	Very low	28.3	Very low	142 Å²	142	132.2 Å²	132.2	76%	0.759	75%	0.752	S	S	*	*			trans	-178.8	133.6	134.7	-94.8	-19.9	0	0	0	114.6
1283	Y	25	Very low	28.1	Very low	185 Å²	185	134.3 Å²	134.3	73%	0.725	76%	0.756	S	S	*	*			trans	56.4	91.3	150.3	-76.2	-90.8	0	0	0	122
1284	E	24.2	Very low	28	Very low	133 Å²	133	137.3 Å²	137.3	62%	0.621	76%	0.756	S	S	*	*				60.6	142.9	98.2	-154	-165.4	-127	0	0	121
1285	K	28.3	Very low	28	Very low	176 Å²	176	138.1 Å²	138.1	77%	0.765	76%	0.757	S	S	*	*			trans	80.6	142.5	169.2	-54.4	-168.7	178.8	75.6	0	116.7
1286	S	25	Very low	28.1	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	75%	0.75	S	S	*	*			cis	-170.2	144.6	-20.4	-177.5	0	0	0	0	109.9
1287	M	28.1	Very low	28.2	Very low	141 Å²	141	135.9 Å²	135.9	70%	0.695	74%	0.742	S	S	*	*			trans	155.7	124.6	152.3	-78.8	-117.4	179.8	0	0	107.3	Q1289	M1287-Q1289 HydrophobicContact SD-CB 3.84Å; M1287-Q1289 HydrophobicContact SD-CG 4.15Å; M1287-Q1289 PolarHBondContact SD-NE2 2.95Å
1288	N	31	Very low	28.5	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	74%	0.743	S	S	*	*			cis	55	73.9	3.6	-88.4	16.4	0	0	0	116.7
1289	Q	26.3	Very low	28.6	Very low	133 Å²	133	134.2 Å²	134.2	62%	0.621	73%	0.734	S	S	*	*			trans	-170	155.6	150.6	-103.9	172.1	62.3	0	0	107.2	M1287	M1287-Q1289 HydrophobicContact SD-CB 3.84Å; M1287-Q1289 HydrophobicContact SD-CG 4.15Å; M1287-Q1289 PolarHBondContact SD-NE2 2.95Å
1290	Q	29.9	Very low	28.7	Very low	163 Å²	163	135.1 Å²	135.1	76%	0.762	74%	0.735	S	S	*	*			cis	-129.3	153.2	5	-97.6	125.3	34.5	0	0	109.5
1291	A	29.3	Very low	28.7	Very low	72 Å²	72	136.8 Å²	136.8	60%	0.595	74%	0.735	S	S	*	*			cis	-141.4	-143.5	-3.6	0	0	0	0	0	107.9
1292	F	28.8	Very low	29	Very low	188 Å²	188	138.5 Å²	138.5	83%	0.825	73%	0.73	S	S	*	*			cis	-157.2	-164.6	1.3	-131.4	165.9	0	0	0	106.9
1293	L	29.6	Very low	29	Very low	127 Å²	127	139 Å²	139	67%	0.665	73%	0.733	S	S	*	*			cis	-132.7	-84.1	9.1	-149.8	-177.5	0	0	0	112.1
1294	R	29.5	Very low	29.1	Very low	217 Å²	217	138.6 Å²	138.6	82%	0.819	74%	0.737	S	S	*	*			trans	-147.6	132.5	-175.9	-84.3	179.2	179.3	175.1	-1	110.8
1295	S	28.7	Very low	29.7	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	74%	0.739	S	S	*	*				35.5	152.2	126.6	76.9	0	0	0	0	120.2
1296	T	30.3	Very low	29.7	Very low	115 Å²	115	133.9 Å²	133.9	71%	0.706	74%	0.739	S	S	*	*			cis	-165.1	173.4	37.2	-30.6	0	0	0	0	111.6
1297	I	31.2	Very low	30	Very low	149 Å²	149	139.1 Å²	139.1	76%	0.764	75%	0.749	S	S	*	*			trans	89.9	118.3	157.2	-64.2	156.8	0	0	0	119.2
1298	S	32	Very low	30	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	76%	0.756	S	S	*	*			trans	33.3	140.1	157	65.7	0	0	0	0	123.5
1299	G	30.5	Very low	30	Very low	64 Å²	64	138 Å²	138	66%	0.66	76%	0.759	S	S	*	*			cis	154.2	154.3	-10.4	0	0	0	0	0	116.1
1300	S	31.1	Very low	30.1	Very low	120 Å²	120	136.3 Å²	136.3	84%	0.839	76%	0.762	S	S	*	*			trans	65.9	154.3	161	26.5	0	0	0	0	120.7
1301	K	30.6	Very low	30.1	Very low	181 Å²	181	138.3 Å²	138.3	79%	0.787	77%	0.768	S	S	*	*			cis	-168.5	131.3	-24.9	-113.2	-173.7	176.4	-179	0	111.5
1302	I	30.6	Very low	29.9	Very low	132 Å²	132	139.8 Å²	139.8	68%	0.677	77%	0.773	S	S	*	*				68.7	122.1	128	-68.2	177.4	0	0	0	123.5
1303	N	29.7	Very low	29.8	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	77%	0.774	S	S	*	*			trans	83.1	169.8	143.5	-70.2	6.4	0	0	0	125.6
1304	Q	26.7	Very low	29.7	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.822	77%	0.772	S	S	*	*			trans	-118.8	-163.4	-157.3	-45.9	175.2	-11.3	0	0	111.5
1305	P	37.5	Very low	29.9	Very low	102 Å²	102	136.3 Å²	136.3	66%	0.662	77%	0.772	S	S	*	*			cis	-132.6	171.1	-47.9	27.7	-7.4	0	0	0	115.9
1306	S	28.1	Very low	30	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	78%	0.776	S	S	*	*			trans	87.2	131.7	143.3	77.8	0	0	0	0	123.4
1307	K	29.7	Very low	29.8	Very low	212 Å²	212	135.6 Å²	135.6	92%	0.922	77%	0.766	S	S	*	*			trans	44	108.8	153.8	-64.9	-176.4	178.6	180	0	120.4
1308	G	29.1	Very low	30.1	Very low	82 Å²	82	133.9 Å²	133.9	85%	0.845	77%	0.765	S	S	*	*			trans	-171.3	134.1	162	0	0	0	0	0	113.1
1309	Q	29.9	Very low	29.9	Very low	190 Å²	190	134.6 Å²	134.6	89%	0.888	76%	0.756	S	S	*	*			trans	-66.2	141.5	-167.1	-66.2	164.5	-45.9	0	0	116.5
1310	S	28.9	Very low	29.7	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	76%	0.76	S	S	*	*			trans	46.7	125.6	139.2	66.1	0	0	0	0	123.2
1311	K	29.5	Very low	29.3	Very low	204 Å²	204	137 Å²	137	89%	0.887	75%	0.749	S	S	*	*				55.1	141.3	128.1	-69.9	-175.8	178	-178.9	0	120.4
1312	C	25.3	Very low	29.2	Very low	104 Å²	104	138.1 Å²	138.1	70%	0.703	75%	0.75	S	S	*	*			cis	-177	172.3	-16.8	-147.9	0	0	0	0	108.9
1313	L	26.4	Very low	29.3	Very low	163 Å²	163	139 Å²	139	85%	0.853	76%	0.756	S	S	*	*			trans	66.7	165.1	159.5	-60.7	164.4	0	0	0	116.4
1314	A	28.6	Very low	29.4	Very low	75 Å²	75	136.4 Å²	136.4	62%	0.62	75%	0.748	S	S	*	*			cis	-176.1	174.7	-32.6	0	0	0	0	0	108.1
1315	R	32.7	Very low	29.3	Very low	220 Å²	220	135.7 Å²	135.7	83%	0.83	74%	0.744	S	S	*	*			trans	166	154.7	142.2	-95.1	158.9	-174.9	-148.7	-5.8	109.6
1316	T	31	Very low	28.7	Very low	125 Å²	125	137.6 Å²	137.6	77%	0.767	75%	0.747	S	S	*	*			cis	-133.8	166.4	3.7	41.5	0	0	0	0	108.7
1317	C	27.4	Very low	28.7	Very low	74 Å²	74	137 Å²	137	50%	0.5	74%	0.743	S	S	.	*			cis	-171.7	-177.7	-17.3	-98.6	0	0	0	0	105.9	E1319	C1317-E1319 PolarHBondContact SG-OE2 3Å; C1317-E1319 VanDerWaalsContact SG-OE2 3.35Å
1318	P	36.9	Very low	28.7	Very low	114 Å²	114	135.8 Å²	135.8	74%	0.74	74%	0.738	S	S	*	*			cis	-103.9	159	-10.3	8.2	16.7	0	0	0	111.1
1319	E	28.7	Very low	28.4	Very low	130 Å²	130	136.3 Å²	136.3	61%	0.607	73%	0.729	S	S	*	*				66.1	139.7	55.6	-55.8	177.6	131.9	0	0	112	C1317	C1317-E1319 PolarHBondContact SG-OE2 3Å; C1317-E1319 VanDerWaalsContact SG-OE2 3.35Å
1320	I	25	Very low	28.3	Very low	147 Å²	147	134.4 Å²	134.4	75%	0.754	72%	0.724	S	S	*	*			cis	174.3	161.3	-19.4	-109.6	162.9	0	0	0	104
1321	S	23.4	Very low	28.1	Very low	87 Å²	87	135 Å²	135	61%	0.608	72%	0.723	S	S	*	*			trans	85.6	149.8	157.1	-109.2	0	0	0	0	123.1
1322	Y	27.4	Very low	27.9	Very low	205 Å²	205	133.1 Å²	133.1	80%	0.804	72%	0.717	S	S	*	*			trans	54.5	101.9	151.1	-63	-58.7	0	0	0	121.6
1323	D	34	Very low	28	Very low	150 Å²	150	137.4 Å²	137.4	80%	0.802	72%	0.72	S	S	*	*				-59.2	145	113.1	-93.5	-56.7	0	0	0	109
1324	P	31.6	Very low	27.8	Very low	99 Å²	99	136 Å²	136	64%	0.643	71%	0.714	S	S	*	*				-151.4	159.4	55.6	42.7	-23.4	0	0	0	119.2
1325	E	23.7	Very low	28.1	Very low	160 Å²	160	138.7 Å²	138.7	75%	0.748	72%	0.717	S	S	*	*			trans	72.9	149.6	133.7	-81.7	-169.5	162	0	0	125.2
1326	I	25	Very low	28.3	Very low	142 Å²	142	139.6 Å²	139.6	73%	0.728	72%	0.721	S	S	*	*			trans	57.8	99.9	155.3	-61.2	154.7	0	0	0	115.2
1327	S	27.7	Very low	28.5	Very low	97 Å²	97	138.1 Å²	138.1	68%	0.678	71%	0.714	S	S	*	*				-178.3	157.8	64.4	35.3	0	0	0	0	110.2
1328	K	29.9	Very low	28.6	Very low	185 Å²	185	141.8 Å²	141.8	80%	0.804	72%	0.721	S	S	*	*			cis	-139	128.8	2.4	-109	142.3	-175.8	174.4	0	109.7
1329	S	23	Very low	28.2	Very low	93 Å²	93	145.6 Å²	145.6	65%	0.65	72%	0.721	S	S	*	*			trans	3.8	121.7	130.2	59.1	0	0	0	0	118.8
1330	L	27.3	Very low	28.5	Very low	151 Å²	151	147.1 Å²	147.1	79%	0.791	73%	0.732	S	S	*	*				-176.2	116.6	117.3	-112.1	53.4	0	0	0	106.7
1331	V	26.1	Very low	28.8	Very low	110 Å²	110	145.5 Å²	145.5	67%	0.667	73%	0.728	S	S	*	*				92.2	173.6	76.8	160.9	0	0	0	0	111.5
1332	Q	24	Very low	29.2	Very low	164 Å²	164	144 Å²	144	77%	0.766	73%	0.727	S	S	*	*			trans	-52.5	-174.7	174	-56.4	149.1	-67.8	0	0	113.9
1333	Y	28.3	Very low	29.4	Very low	195 Å²	195	142.5 Å²	142.5	77%	0.765	72%	0.72	S	S	*	*			trans	76.9	109.1	-164.4	-59.4	-77.4	0	0	0	110.9
1334	D	23.1	Very low	29.2	Very low	133 Å²	133	139.6 Å²	139.6	71%	0.711	70%	0.704	S	S	*	*				52.1	107.3	81.7	-73	-48.5	0	0	0	111.3
1335	N	34	Very low	29.1	Very low	131 Å²	131	136.3 Å²	136.3	70%	0.701	68%	0.684	S	S	*	*				-158.8	120.8	102.8	-105.3	-78.4	0	0	0	110.6	P1337	N1335-P1337 WeakPolarHBondContact O-CD 3.16Å
1336	R	36.6	Very low	29.6	Very low	240 Å²	240	132.4 Å²	132.4	91%	0.906	67%	0.671	S	S	*	*			trans	-73.4	126.7	141.5	-81	-172.9	176.3	-160.1	1.2	107.5
1337	P	34.6	Very low	30	Very low	94 Å²	94	131.6 Å²	131.6	61%	0.61	67%	0.665	S	S	*	*			trans	-135.4	148.6	140.5	30.1	-13	0	0	0	112.7	N1335	N1335-P1337 WeakPolarHBondContact O-CD 3.16Å
1338	K	31.3	Very low	30.3	Very low	150 Å²	150	132.4 Å²	132.4	65%	0.652	66%	0.662	S	S	*	*			cis	-153.1	145.2	-15.5	-112.2	147.9	-161.7	166.1	0	105.2
1339	R	27.1	Very low	30.3	Very low	195 Å²	195	129.1 Å²	129.1	74%	0.736	66%	0.658	S	S	*	*				49.2	137.5	109.3	-55.9	-175.4	-172.7	163.6	-1.4	114	V1341	R1339-V1341 HydrophobicContact CB-CG2 3.99Å; R1339-V1341 HydrophobicContact CG-CG2 3.79Å
1340	L	35.5	Very low	30.7	Very low	162 Å²	162	131.9 Å²	131.9	85%	0.848	67%	0.665	S	S	*	*			cis	-118.9	135	29.3	-65	147.1	0	0	0	110.8
1341	V	31.1	Very low	31	Very low	112 Å²	112	135.6 Å²	135.6	68%	0.679	67%	0.669	S	S	*	*				69.9	117.8	54.6	177.8	0	0	0	0	111.1	R1339	R1339-V1341 HydrophobicContact CB-CG2 3.99Å; R1339-V1341 HydrophobicContact CG-CG2 3.79Å
1342	G	31.6	Very low	31.2	Very low	56 Å²	56	134.8 Å²	134.8	58%	0.577	67%	0.668	S	S	*	*			cis	-154.9	-166.3	-4.1	0	0	0	0	0	110.4
1343	R	31.8	Very low	31.5	Very low	174 Å²	174	134.4 Å²	134.4	66%	0.657	67%	0.67	S	S	*	*			cis	172.2	173.7	27.1	-144.5	174.5	152.1	156.7	-1.7	106.6	A1546 K1547 R1548 L1549	R1343-A1546 VanDerWaalsContact CZ-O 3.26Å; R1343-A1546 PolarHBondContact NE-O 2.71Å; R1343-A1546 PolarHBondContact NH2-O 2.68Å; R1343-K1547 CarbonylContact C-O 3.4Å; R1343-K1547 WeakPolarHBondContact CB-O 3.29Å; R1343-K1547 WeakPolarHBondContact CD-O 3.45Å; R1343-K1547 WeakPolarHBondContact CG-O 3.27Å; R1343-R1548 CarbonylContact O-C 3.57Å; R1343-R1548 VanDerWaalsContact O-C 3.29Å; R1343-R1548 VanDerWaalsContact O-CA 3.28Å; R1343-R1548 WeakPolarHBondContact O-CA 3.27Å; R1343-L1549 PolarHBondContact O-N 3.28Å
1344	D	29.9	Very low	31.6	Very low	88 Å²	88	129.3 Å²	129.3	47%	0.471	66%	0.663	S	S	.	*			cis	175.8	-158.9	-31.8	-173.9	-0.8	0	0	0	109.1	A1546 K1547 R1548	D1344-A1546 VanDerWaalsContact CB-C 3.47Å; D1344-A1546 WeakPolarHBondContact OD2-CA 3.46Å; D1344-A1546 PolarHBondContact OD2-N 3.21Å; D1344-K1547 VanDerWaalsContact C-C 3.43Å; D1344-K1547 VanDerWaalsContact CB-N 3.35Å; D1344-K1547 WeakPolarHBondContact CB-O 3.48Å; D1344-K1547 PolarHBondContact N-O 2.67Å; D1344-K1547 CarbonylContact O-C 3.56Å; D1344-R1548 VanDerWaalsContact N-CA 3.31Å; D1344-R1548 WeakPolarHBondContact O-CA 3.26Å; D1344-R1548 WeakPolarHBondContact O-CG 3.32Å; D1344-R1548 PolarHBondContact O-N 2.65Å
1345	S	30.6	Very low	32	Very low	30 Å²	30	130.8 Å²	130.8	21%	0.21	67%	0.665	C	S	.	*			trans	-54.7	-171.7	-166.1	82.8	0	0	0	0	123.2	A1546 K1547	S1345-A1546 WeakPolarHBondContact OG-CA 3.3Å; S1345-A1546 WeakPolarHBondContact OG-CB 3.49Å; S1345-K1547 VanDerWaalsContact N-N 3.11Å; S1345-K1547 PolarHBondContact OG-N 2.79Å
1346	T	33.3	Very low	31.6	Very low	78 Å²	78	131.9 Å²	131.9	48%	0.479	67%	0.668	S	S	.	*			cis	-168.2	-178.9	27.8	4.4	0	0	0	0	110.8
1347	M	34.2	Very low	31.1	Very low	125 Å²	125	125.4 Å²	125.4	62%	0.616	66%	0.655	S	S	*	*				-175.8	179.8	-54.3	-96	-60.9	-178.8	0	0	111	L1543	M1347-L1543 HydrophobicContact CB-CD2 3.96Å; M1347-L1543 HydrophobicContact CE-CD1 4.31Å; M1347-L1543 HydrophobicContact CE-CD2 4.49Å; M1347-L1543 HydrophobicContact CE-CG 4.14Å; M1347-L1543 HydrophobicContact CG-CD2 3.83Å; M1347-L1543 HydrophobicContact CG-CG 4.13Å; M1347-L1543 HydrophobicContact SD-CD1 4.32Å; M1347-L1543 HydrophobicContact SD-CD2 3.6Å; M1347-L1543 VanDerWaalsContact SD-CD2 3.6Å; M1347-L1543 HydrophobicContact SD-CG 3.89Å
1348	N	32.1	Very low	30.9	Very low	114 Å²	114	128.6 Å²	128.6	61%	0.61	66%	0.662	S	S	*	*			trans	75.3	130.9	173.5	-59.1	-7.4	0	0	0	117	L1543	N1348-L1543 WeakPolarHBondContact OD1-CD2 3.34Å
1349	T	30.3	Very low	30.9	Very low	116 Å²	116	128.6 Å²	128.6	71%	0.712	66%	0.664	S	S	*	*			cis	82.3	152	23.5	81.5	0	0	0	0	115.4
1350	N	31	Very low	31	Very low	151 Å²	151	125 Å²	125	81%	0.807	66%	0.659	S	S	*	*			cis	-160.3	-174	18.3	-159.3	-5.9	0	0	0	112.9
1351	R	35.2	Very low	30.6	Very low	230 Å²	230	121.3 Å²	121.3	87%	0.868	65%	0.646	S	S	*	*			trans	91.5	159.5	170.4	-64.4	-175.4	174.5	-177.1	-0.6	119.1
1352	S	30.3	Very low	30.4	Very low	93 Å²	93	122.8 Å²	122.8	65%	0.65	65%	0.646	S	S	*	*			cis	-178.6	151.2	-34.4	-89.6	0	0	0	0	113.6
1353	I	30.7	Very low	30.1	Very low	156 Å²	156	128 Å²	128	80%	0.8	66%	0.655	S	S	*	*			trans	79.6	131.2	139.2	-75.3	166.5	0	0	0	123.7
1354	S	29.6	Very low	29.9	Very low	88 Å²	88	123.4 Å²	123.4	62%	0.615	65%	0.654	S	S	*	*			trans	73	125.3	148	-81	0	0	0	0	126.8
1355	Q	31	Very low	29.6	Very low	164 Å²	164	124 Å²	124	77%	0.766	67%	0.665	S	S	*	*				69.7	149.3	125.7	-66.7	176.2	-17.6	0	0	121.8
1356	M	25.7	Very low	29.2	Very low	153 Å²	153	129.7 Å²	129.7	75%	0.754	69%	0.692	S	S	*	*			cis	-168.2	172.6	-25.4	-159.4	-165.1	-62.3	0	0	109.6
1357	V	27.3	Very low	28.8	Very low	104 Å²	104	134.2 Å²	134.2	63%	0.63	71%	0.706	S	S	*	*			trans	88.4	95.9	159.4	-173.3	0	0	0	0	118.7
1358	Q	30.4	Very low	28.3	Very low	162 Å²	162	133.2 Å²	133.2	76%	0.757	71%	0.711	S	S	*	*			trans	64.2	152.9	138.6	-59.9	-178.3	21.7	0	0	118.9
1359	Q	30.8	Very low	28.5	Very low	149 Å²	149	133 Å²	133	70%	0.696	72%	0.715	S	S	*	*			cis	-168.8	163.6	-6.2	-113.1	-167.8	93.9	0	0	107.6
1360	N	27.9	Very low	28.3	Very low	119 Å²	119	134.4 Å²	134.4	64%	0.636	72%	0.719	S	S	*	*			cis	-160.7	-177.2	-13.1	-147.4	-17.5	0	0	0	111.5
1361	C	27.4	Very low	28	Very low	85 Å²	85	134 Å²	134	57%	0.574	72%	0.716	S	S	*	*			trans	0.4	155.2	149.8	-72.4	0	0	0	0	122.6
1362	Q	27.3	Very low	27.5	Very low	144 Å²	144	130.8 Å²	130.8	67%	0.673	71%	0.71	S	S	*	*			cis	-175.7	153.9	-9.1	-112.2	175.9	10.1	0	0	111.4
1363	Q	25.8	Very low	27.2	Very low	164 Å²	164	131.2 Å²	131.2	77%	0.766	71%	0.713	S	S	*	*			trans	59.9	160.9	139.1	-70.1	178.6	15.8	0	0	121.6
1364	A	26.9	Very low	26.9	Very low	78 Å²	78	128.2 Å²	128.2	65%	0.645	71%	0.712	S	S	*	*			cis	-162.2	142.5	-21	0	0	0	0	0	114.3
1365	S	24.1	Very low	26.7	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	72%	0.724	S	S	*	*			trans	36.8	129.3	137.4	74.9	0	0	0	0	125.5
1366	L	22.8	Very low	26.5	Very low	149 Å²	149	134.7 Å²	134.7	78%	0.78	73%	0.729	S	S	*	*				93.2	135.5	124.8	-78.1	168	0	0	0	124.4
1367	K	23.9	Very low	26.6	Very low	174 Å²	174	134.7 Å²	134.7	76%	0.757	73%	0.731	S	S	*	*			trans	81.6	95.9	147.7	-71.4	170.4	-177.8	-176.9	0	122.5
1368	S	23	Very low	26.6	Very low	104 Å²	104	136 Å²	136	73%	0.727	73%	0.734	S	S	*	*				25.6	157.9	105.4	69.1	0	0	0	0	121.6
1369	P	37.4	Very low	26.7	Very low	108 Å²	108	135.6 Å²	135.6	70%	0.701	74%	0.735	S	S	*	*			cis	-141.7	172.3	4.9	41.9	-23.2	0	0	0	118.4
1370	N	25.8	Very low	26.6	Very low	146 Å²	146	137.5 Å²	137.5	78%	0.781	74%	0.736	S	S	*	*			trans	62.1	140.1	140.1	-76.6	0.9	0	0	0	126.3
1371	L	24	Very low	26.5	Very low	144 Å²	144	142.4 Å²	142.4	75%	0.754	75%	0.745	S	S	*	*			trans	85.5	127.8	147.3	-70.1	157.1	0	0	0	122.4
1372	H	25.3	Very low	26.6	Very low	162 Å²	162	144 Å²	144	75%	0.75	75%	0.748	S	S	*	*			trans	67.1	94.8	151.2	-79.9	83.3	0	0	0	123.3
1373	S	24.4	Very low	26.7	Very low	102 Å²	102	143.9 Å²	143.9	71%	0.713	75%	0.752	S	S	*	*				59.4	117.6	121.5	63.3	0	0	0	0	123.5
1374	A	25.1	Very low	26.9	Very low	92 Å²	92	142.7 Å²	142.7	76%	0.76	75%	0.751	S	S	*	*			trans	81.5	93.1	133.1	0	0	0	0	0	122
1375	E	25.3	Very low	27.1	Very low	186 Å²	186	145.7 Å²	145.7	87%	0.869	76%	0.755	S	S	*	*			trans	47.7	117.9	131.4	-60	-168.4	126	0	0	123.4
1376	K	27	Very low	27.3	Very low	202 Å²	202	147.7 Å²	147.7	88%	0.878	75%	0.751	S	S	*	*				177.6	169.6	128	-96.3	154.2	-176.7	174.4	0	110.5
1377	L	25.8	Very low	27.5	Very low	153 Å²	153	146.4 Å²	146.4	80%	0.801	74%	0.741	S	S	*	*				-175	173.5	-57.9	-128.3	174.7	0	0	0	108.6
1378	I	28	Very low	27.8	Very low	133 Å²	133	145.2 Å²	145.2	68%	0.682	74%	0.735	S	S	*	*			trans	84.1	147.2	161.5	-33.6	-168.9	0	0	0	119.5
1379	I	32.9	Very low	28.1	Very low	152 Å²	152	147.9 Å²	147.9	78%	0.779	74%	0.736	S	S	*	*			trans	102	125.3	161.9	-56.2	-178.3	0	0	0	114.9
1380	R	28.9	Very low	27.6	Very low	190 Å²	190	148.6 Å²	148.6	72%	0.717	73%	0.734	S	S	*	*			cis	-156.1	-175.3	-26.7	-118.4	172	-177.6	178.3	-1.2	107.6	T1220	T1220-R1380 PolarHBondContact OG1-NH2 3.33Å; T1220-R1380 VanDerWaalsContact OG1-NH2 3.11Å
1381	R	26.5	Very low	27.8	Very low	221 Å²	221	147.1 Å²	147.1	83%	0.834	73%	0.726	S	S	*	*			trans	-155.4	165.4	-158	-132.9	-166.7	-178.8	130.4	-0.1	114.7
1382	N	29	Very low	28	Very low	119 Å²	119	148.3 Å²	148.3	64%	0.636	73%	0.727	S	S	*	*			trans	65.9	180	143	-87.9	40.3	0	0	0	119.8
1383	D	28.5	Very low	28.1	Very low	141 Å²	141	144.8 Å²	144.8	75%	0.754	72%	0.721	S	S	*	*			cis	-120.4	-167.8	-7.9	-75.7	-69.6	0	0	0	108.8
1384	D	30.5	Very low	28.2	Very low	139 Å²	139	145.7 Å²	145.7	74%	0.743	72%	0.721	S	S	*	*			cis	-137.3	-120.7	-1.4	-172.5	14.9	0	0	0	109
1385	I	31.6	Very low	28.2	Very low	142 Å²	142	146.2 Å²	146.2	73%	0.728	71%	0.711	S	S	*	*			cis	-158.5	155.2	-6.7	-136.9	-154.8	0	0	0	106.7
1386	K	28	Very low	28.2	Very low	143 Å²	143	144.8 Å²	144.8	62%	0.622	70%	0.699	S	S	*	*			cis	-158	150.8	-6.5	-157.3	-155.2	-177.4	-160.8	0	109.5
1387	E	27.4	Very low	28	Very low	121 Å²	121	139.3 Å²	139.3	57%	0.565	69%	0.686	S	S	*	*			trans	62.8	151.2	165.1	-80.6	179.4	-138.9	0	0	117.9
1388	K	29.8	Very low	28	Very low	149 Å²	149	142.6 Å²	142.6	65%	0.648	69%	0.69	S	S	*	*			cis	-153.8	134.8	10.8	-140.5	164.8	-173.7	133.3	0	111.6
1389	Q	28.9	Very low	27.8	Very low	160 Å²	160	140.8 Å²	140.8	75%	0.748	69%	0.689	S	S	*	*			trans	59.9	147.2	154.6	-69.4	166.3	-5.5	0	0	118.6
1390	N	28	Very low	28	Very low	123 Å²	123	138.5 Å²	138.5	66%	0.658	68%	0.684	S	S	*	*			cis	-153.4	149.2	3.7	-132.4	0.8	0	0	0	112.8
1391	I	28.5	Very low	27.8	Very low	116 Å²	116	136.5 Å²	136.5	60%	0.595	69%	0.687	S	S	*	*			trans	57.2	99.1	142.2	-73.5	171.6	0	0	0	118.1
1392	Q	28.1	Very low	27.6	Very low	169 Å²	169	134.5 Å²	134.5	79%	0.79	68%	0.684	S	S	*	*				89.2	151.7	104.3	-76.1	177.7	4.8	0	0	115.3
1393	S	27.5	Very low	27.4	Very low	88 Å²	88	136 Å²	136	62%	0.615	69%	0.691	S	S	*	*			cis	-167.8	161.9	-19.2	64.2	0	0	0	0	109.8
1394	V	26.5	Very low	27.3	Very low	120 Å²	120	132.9 Å²	132.9	73%	0.727	69%	0.685	S	S	*	*				54.4	131	107.2	172.5	0	0	0	0	114.6
1395	N	26.3	Very low	27.2	Very low	103 Å²	103	130.1 Å²	130.1	55%	0.551	67%	0.673	S	S	*	*			cis	-166.2	-176.4	-5.7	-118.9	-11.1	0	0	0	111.5
1396	Y	25.5	Very low	27.2	Very low	157 Å²	157	124.4 Å²	124.4	62%	0.616	65%	0.646	S	S	*	*			trans	31.6	130.8	150	-72.7	-71.1	0	0	0	123.3
1397	S	22.2	Very low	27.1	Very low	86 Å²	86	123 Å²	123	60%	0.601	65%	0.645	S	S	*	*			trans	-15.6	141.3	144.2	52.9	0	0	0	0	118.7
1398	Y	25.8	Very low	27.1	Very low	223 Å²	223	123 Å²	123	88%	0.875	65%	0.647	S	S	*	*				-166.8	170.9	98.8	-114.8	-90.8	0	0	0	111.8
1399	S	23.1	Very low	27.1	Very low	95 Å²	95	121.6 Å²	121.6	66%	0.664	65%	0.652	S	S	*	*			trans	-119.1	171.2	175.3	63.8	0	0	0	0	109.8
1400	P	37.6	Very low	27.2	Very low	104 Å²	104	119 Å²	119	68%	0.675	65%	0.651	S	S	*	*			cis	-139	-170.2	-5.7	39	-19	0	0	0	114.9
1401	L	24	Very low	27.2	Very low	148 Å²	148	121.3 Å²	121.3	78%	0.775	66%	0.66	S	S	*	*			trans	66.9	131.1	145.7	-81.5	163	0	0	0	123.4
1402	K	23.8	Very low	27.5	Very low	178 Å²	178	120.7 Å²	120.7	77%	0.774	66%	0.664	S	S	*	*			trans	82.4	132.6	144.2	-81.4	-177.1	175.9	179.3	0	122.5
1403	L	23.7	Very low	27.4	Very low	152 Å²	152	117 Å²	117	80%	0.796	66%	0.656	S	S	*	*			trans	50.4	99	146.7	-86	79.4	0	0	0	121.2
1404	A	26.3	Very low	27.4	Very low	75 Å²	75	117.3 Å²	117.3	62%	0.62	65%	0.651	S	S	*	*				86.4	128.7	102.3	0	0	0	0	0	121.7
1405	T	29.4	Very low	27.4	Very low	80 Å²	80	114.2 Å²	114.2	49%	0.491	63%	0.631	S	S	.	*			trans	72.6	120.6	141.6	43.1	0	0	0	0	119.6	L1139 N1140	L1139-T1405 HydrophobicContact CD2-CG2 4Å; L1139-T1405 HydrophobicContact CG-CG2 3.76Å; N1140-T1405 VanDerWaalsContact O-CB 3.31Å; N1140-T1405 WeakPolarHBondContact O-CB 3.31Å; N1140-T1405 WeakPolarHBondContact O-CG2 3.46Å
1406	S	29.9	Very low	27.6	Very low	22 Å²	22	111 Å²	111	15%	0.154	62%	0.615	C	S	.	*			cis	-172	-151.4	-3.3	-57.7	0	0	0	0	109.6	L1139 N1140 R1141	L1139-S1406 VanDerWaalsContact CB-OG 3.26Å; L1139-S1406 WeakPolarHBondContact CB-OG 3.19Å; L1139-S1406 WeakPolarHBondContact CD2-OG 3.43Å; L1139-S1406 WeakPolarHBondContact CG-OG 3.49Å; N1140-S1406 VanDerWaalsContact CA-OG 3.23Å; N1140-S1406 WeakPolarHBondContact CA-OG 3.11Å; N1140-S1406 PolarHBondContact N-OG 3.22Å; N1140-S1406 WeakPolarHBondContact O-CB 3.48Å; N1140-S1406 PolarHBondContact O-OG 3.38Å; R1141-S1406 WeakPolarHBondContact CD-O 3.14Å; R1141-S1406 PolarHBondContact NH1-O 3.2Å
1407	L	27.6	Very low	27.7	Very low	115 Å²	115	107.2 Å²	107.2	60%	0.602	61%	0.61	S	S	*	*			trans	-151.5	-178	135	-126	-176	0	0	0	111.1	N1140	N1140-L1407 PolarHBondContact ND2-O 3.29Å; N1140-L1407 PolarHBondContact OD1-O 2.78Å
1408	L	26.5	Very low	27.8	Very low	119 Å²	119	107.7 Å²	107.7	62%	0.623	61%	0.613	S	S	*	*			trans	-81.7	147.3	176.9	-72.9	164	0	0	0	111.8	N1140	N1140-L1408 WeakPolarHBondContact OD1-CD2 3.5Å; N1140-L1408 VanDerWaalsContact OD1-CG 3.3Å; N1140-L1408 WeakPolarHBondContact OD1-CG 3.45Å; N1140-L1408 PolarHBondContact OD1-N 2.78Å
1409	T	30.3	Very low	28	Very low	120 Å²	120	106.4 Å²	106.4	74%	0.736	61%	0.612	S	S	*	*				-162.5	176.2	62.3	39.8	0	0	0	0	113.5
1410	S	31.7	Very low	28.3	Very low	105 Å²	105	107 Å²	107	73%	0.734	62%	0.615	S	S	*	*			trans	50.8	86.9	168.3	56.5	0	0	0	0	116.9
1411	M	26.3	Very low	27.7	Very low	172 Å²	172	108.4 Å²	108.4	85%	0.847	62%	0.616	S	S	*	*				68.3	139.7	58.5	-69.1	-64.6	161.7	0	0	116.1
1412	P	35	Very low	27.9	Very low	104 Å²	104	111.9 Å²	111.9	68%	0.675	62%	0.62	S	S	*	*				-147.4	-168.7	-118.3	42.8	-21.8	0	0	0	118.1
1413	S	26.6	Very low	27.8	Very low	90 Å²	90	108 Å²	108	63%	0.629	62%	0.615	S	S	*	*			trans	100.7	151.4	141.9	84.4	0	0	0	0	121.5
1414	N	26.5	Very low	28.1	Very low	95 Å²	95	109.7 Å²	109.7	51%	0.508	62%	0.618	S	S	.	*			trans	66.8	112.8	139.5	-76	-17.2	0	0	0	123.9	K1134	K1134-N1414 PolarHBondContact O-OD1 3.2Å; K1134-N1414 VanDerWaalsContact O-OD1 3.04Å
1415	N	26.9	Very low	28	Very low	56 Å²	56	115 Å²	115	30%	0.299	63%	0.63	S	S	.	*				118.9	175.1	118.6	-68.4	4.3	0	0	0	122.3	R1132 R1133 K1134	R1132-N1415 HydrophobicContact CB-CB 4.35Å; R1132-N1415 HydrophobicContact CG-CB 3.75Å; R1133-N1415 WeakPolarHBondContact CA-OD1 2.83Å; R1133-N1415 PolarHBondContact O-ND2 3.46Å; R1133-N1415 PolarHBondContact O-OD1 3.08Å; K1134-N1415 VanDerWaalsContact CB-OD1 3.31Å; K1134-N1415 WeakPolarHBondContact CB-OD1 3.38Å; K1134-N1415 VanDerWaalsContact CD-N 3.31Å; K1134-N1415 PolarHBondContact N-OD1 3.01Å
1416	V	30.2	Very low	27.8	Very low	36 Å²	36	115.5 Å²	115.5	22%	0.218	64%	0.637	C	S	.	*			trans	-102.8	153	-175.9	95	0	0	0	0	107.7	P1131 R1132 R1133	P1131-V1416 HydrophobicContact CB-CG1 4.32Å; R1132-V1416 HydrophobicContact CB-CG1 4.45Å; R1132-V1416 HydrophobicContact CG-CG1 3.95Å; R1132-V1416 PolarHBondContact NE-O 3.01Å; R1132-V1416 VanDerWaalsContact NE-O 3.14Å; R1133-V1416 HydrophobicContact CB-CB 4.39Å; R1133-V1416 HydrophobicContact CG-CB 3.91Å; R1133-V1416 HydrophobicContact CG-CG2 4.12Å
1417	C	27.3	Very low	27.6	Very low	76 Å²	76	122.5 Å²	122.5	51%	0.514	67%	0.669	S	S	.	*				-164.6	176.9	57.3	-171.8	0	0	0	0	112.9
1418	C	26.3	Very low	27.4	Very low	97 Å²	97	123.1 Å²	123.1	66%	0.655	67%	0.67	S	S	*	*			trans	71.3	119.7	136	-60.7	0	0	0	0	117
1419	K	28.7	Very low	27.5	Very low	196 Å²	196	123.5 Å²	123.5	85%	0.852	67%	0.666	S	S	*	*				76.3	102.2	64.4	-81.1	-167.8	171.5	-174.6	0	114.9
1420	S	29.4	Very low	27.2	Very low	106 Å²	106	123.2 Å²	123.2	74%	0.741	67%	0.669	S	S	*	*				-121.9	153.6	116.5	77.2	0	0	0	0	106
1421	I	25.8	Very low	27.1	Very low	134 Å²	134	130.4 Å²	130.4	69%	0.687	68%	0.68	S	S	*	*			cis	62.6	107.9	41	-43.2	169.7	0	0	0	108.2
1422	Y	27.4	Very low	27.1	Very low	221 Å²	221	133 Å²	133	87%	0.867	68%	0.68	S	S	*	*				-141.8	179.6	54.3	-135.4	-89.3	0	0	0	114.4
1423	C	22.8	Very low	26.8	Very low	98 Å²	98	139.8 Å²	139.8	66%	0.662	69%	0.692	S	S	*	*			trans	-68.8	142.5	-179.3	-165	0	0	0	0	114.3
1424	Q	28.5	Very low	26.8	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	70%	0.703	S	S	*	*				-174.8	163.6	108.1	-102.4	-179	-14.5	0	0	114
1425	Q	25.6	Very low	26.9	Very low	186 Å²	186	148.5 Å²	148.5	87%	0.869	71%	0.714	S	S	*	*			trans	-98	170.7	173.8	-64	171.7	-56.9	0	0	111.3
1426	S	24.4	Very low	27	Very low	91 Å²	91	152.3 Å²	152.3	64%	0.636	73%	0.734	S	S	*	*			trans	80.1	103.5	149.8	-170.4	0	0	0	0	120.2
1427	M	25.3	Very low	26.9	Very low	169 Å²	169	156.2 Å²	156.2	83%	0.833	76%	0.764	S	S	*	*			trans	62.9	139.2	136.3	-57.4	-165.3	-69.3	0	0	121.9
1428	E	23.9	Very low	27	Very low	129 Å²	129	159.3 Å²	159.3	60%	0.603	77%	0.773	S	S	*	*			trans	42.9	112.8	152	-76.7	-152.9	112.6	0	0	119	N55	N55-E1428 PolarHBondContact ND2-OE1 3.27Å
1429	K	28.5	Very low	27.1	Very low	127 Å²	127	163.8 Å²	163.8	55%	0.552	79%	0.785	S	S	*	*				-173.5	138.9	56.7	-110.1	143	176.9	133	0	113.9
1430	S	24.2	Very low	27.1	Very low	113 Å²	113	161.1 Å²	161.1	79%	0.79	78%	0.778	S	S	*	*			trans	0.6	129.4	150.9	-55.1	0	0	0	0	121.8
1431	R	29	Very low	27.1	Very low	256 Å²	256	163.6 Å²	163.6	97%	0.966	78%	0.781	S	S	*	*				-151.1	154.2	119.7	-121.6	172.3	-178.7	169.6	0.6	113.6
1432	R	25.8	Very low	27.4	Very low	228 Å²	228	162.2 Å²	162.2	86%	0.86	78%	0.781	S	S	*	*			trans	-101.5	146.7	-171.8	-63.6	170	170.7	163.2	-5.4	112.7
1433	R	29.9	Very low	27.4	Very low	246 Å²	246	156.9 Å²	156.9	93%	0.928	78%	0.776	S	S	*	*			trans	-177.7	111	135.5	-96.2	160.3	-170.7	-166.1	2.4	105.5
1434	R	25.9	Very low	27.7	Very low	225 Å²	225	160.3 Å²	160.3	85%	0.849	78%	0.783	S	S	*	*			cis	84.3	143.9	36	-155.8	-176.2	-162	-165.1	6.2	112.4
1435	L	28.7	Very low	27.6	Very low	142 Å²	142	158 Å²	158	74%	0.743	78%	0.775	S	S	*	*			trans	80	135.8	-171.8	-45.7	175.7	0	0	0	113
1436	N	28.2	Very low	27.8	Very low	136 Å²	136	155.7 Å²	155.7	73%	0.727	76%	0.764	S	S	*	*			cis	-154.3	146.9	-13.4	-113.2	-3.9	0	0	0	110.4
1437	S	28.1	Very low	28	Very low	119 Å²	119	158.7 Å²	158.7	83%	0.832	77%	0.768	S	S	*	*			trans	-130.9	133.6	155.6	54.3	0	0	0	0	108.3
1438	I	30.1	Very low	28.1	Very low	140 Å²	140	154.4 Å²	154.4	72%	0.718	75%	0.754	S	S	*	*			trans	-97.3	130.9	-175.5	-64.1	171	0	0	0	108.4	I1440	I1438-I1440 HydrophobicContact CG2-CG1 4.25Å
1439	H	28.6	Very low	28.1	Very low	192 Å²	192	157.7 Å²	157.7	89%	0.889	77%	0.77	S	S	*	*			trans	-141.2	132.3	152.6	-125.2	-77.5	0	0	0	108.9
1440	I	29.5	Very low	28.1	Very low	140 Å²	140	160 Å²	160	72%	0.718	78%	0.782	S	S	*	*			trans	-95.7	128.9	-178.7	-58.6	171.9	0	0	0	108.8	I1438	I1438-I1440 HydrophobicContact CG2-CG1 4.25Å
1441	I	28.6	Very low	28.3	Very low	157 Å²	157	163.9 Å²	163.9	81%	0.805	79%	0.785	S	S	*	*			trans	-176.8	139.4	136.8	-96.4	156.3	0	0	0	106.9
1442	P	33	Very low	28.2	Very low	106 Å²	106	159.1 Å²	159.1	69%	0.688	78%	0.779	S	S	*	*			trans	-89.7	138.7	-151.4	32.5	-36.9	0	0	0	116.5
1443	S	27	Very low	28.2	Very low	109 Å²	109	155.8 Å²	155.8	76%	0.762	77%	0.773	S	S	*	*			trans	69.4	157.4	130.6	-55.9	0	0	0	0	122.2
1444	E	29.3	Very low	28.1	Very low	170 Å²	170	150.8 Å²	150.8	79%	0.794	76%	0.76	S	S	*	*			trans	75.9	111.7	165.4	-46	-148.1	156	0	0	115.6
1445	L	26.1	Very low	28	Very low	137 Å²	137	146.1 Å²	146.1	72%	0.717	75%	0.752	S	S	*	*				65.7	134	69.1	-77	86.8	0	0	0	111.7
1446	H	30.3	Very low	28.1	Very low	138 Å²	138	145.7 Å²	145.7	64%	0.639	76%	0.755	S	S	*	*			cis	-154.3	152.3	-0.5	-130.9	-163.6	0	0	0	109.3
1447	H	28.5	Very low	28.1	Very low	153 Å²	153	144.6 Å²	144.6	71%	0.708	75%	0.753	S	S	*	*				55.5	151.1	104.6	-80.5	19.7	0	0	0	117.2
1448	S	27.4	Very low	28.2	Very low	79 Å²	79	143.6 Å²	143.6	55%	0.552	75%	0.746	S	S	*	*			cis	-168.5	175.7	-10.6	49.8	0	0	0	0	108.9
1449	Q	24.4	Very low	28.6	Very low	199 Å²	199	142.8 Å²	142.8	93%	0.93	75%	0.748	S	S	*	*			trans	-78.7	122.2	144.5	-81.5	-167.9	-19.6	0	0	108.7
1450	Q	27.2	Very low	28.6	Very low	174 Å²	174	142 Å²	142	81%	0.813	74%	0.742	S	S	*	*			trans	-74.2	152.6	178.5	-60.1	162.2	-59.9	0	0	111.2
1451	K	28.9	Very low	28.6	Very low	196 Å²	196	141 Å²	141	85%	0.852	74%	0.738	S	S	*	*			trans	-159.5	103.7	138.6	-114.5	177.7	-177.1	-174.6	0	110.4
1452	N	26	Very low	28.6	Very low	156 Å²	156	139.7 Å²	139.7	83%	0.834	73%	0.733	S	S	*	*				178.6	102.7	124.7	-89.6	4	0	0	0	110.7
1453	E	25.8	Very low	28.3	Very low	158 Å²	158	138.8 Å²	138.8	74%	0.738	73%	0.729	S	S	*	*			trans	-59.9	161.6	138.4	-82.2	174.4	-150.3	0	0	109.4
1454	Q	27.7	Very low	28.7	Very low	140 Å²	140	138.8 Å²	138.8	65%	0.654	73%	0.729	S	S	*	*			cis	-166	169.7	18.1	-133.2	174.7	59.7	0	0	111.2
1455	L	25.6	Very low	28.7	Very low	128 Å²	128	137.1 Å²	137.1	67%	0.67	73%	0.726	S	S	*	*			trans	62.7	132.4	154.1	-62.8	165.8	0	0	0	119.7
1456	T	29.3	Very low	28.9	Very low	132 Å²	132	136.6 Å²	136.6	81%	0.81	72%	0.724	S	S	*	*				-178.4	162.9	76.5	29.1	0	0	0	0	110.3
1457	V	28.3	Very low	29	Very low	113 Å²	113	136.4 Å²	136.4	69%	0.685	73%	0.727	S	S	*	*			cis	-169.9	163.7	-31.2	112.7	0	0	0	0	110.5
1458	S	29.9	Very low	29	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	73%	0.728	S	S	*	*			trans	72.8	153	168.3	80.7	0	0	0	0	117.7
1459	T	40.4	Very low	29	Very low	123 Å²	123	134.4 Å²	134.4	76%	0.755	74%	0.744	S	S	*	*			cis	-128.7	147.5	-0.2	39.4	0	0	0	0	109
1460	F	27	Very low	29.2	Very low	177 Å²	177	128.8 Å²	128.8	78%	0.776	74%	0.74	S	S	*	*				71.9	135.4	54.7	-71.1	-61	0	0	0	114.1
1461	D	29	Very low	29.3	Very low	117 Å²	117	124.3 Å²	124.3	63%	0.626	74%	0.74	S	S	*	*			cis	-160.6	173	12	-141.3	-23.3	0	0	0	116.4
1462	N	29.3	Very low	29.3	Very low	131 Å²	131	120.3 Å²	120.3	70%	0.701	74%	0.737	S	S	*	*			trans	70.2	162.9	154.8	-73.6	-54	0	0	0	123.1
1463	S	26	Very low	29.5	Very low	86 Å²	86	117.9 Å²	117.9	60%	0.601	73%	0.732	S	S	*	*				-177.3	143.8	-66.3	57.5	0	0	0	0	112.8
1464	S	35.5	Very low	29.6	Very low	110 Å²	110	115.9 Å²	115.9	77%	0.769	73%	0.734	S	S	*	*			trans	178.2	116.1	152.9	48.4	0	0	0	0	108.7
1465	N	29.8	Very low	29.7	Very low	135 Å²	135	115.7 Å²	115.7	72%	0.722	74%	0.742	S	S	*	*				83.1	137.5	59.2	-68.5	-7.7	0	0	0	112.7
1466	N	31.6	Very low	29.8	Very low	126 Å²	126	112.9 Å²	112.9	67%	0.674	73%	0.733	S	S	*	*			cis	-154.9	164.6	16.9	-131	-7.6	0	0	0	115.3
1467	N	30.5	Very low	29.8	Very low	134 Å²	134	113.2 Å²	113.2	72%	0.717	72%	0.723	S	S	*	*			trans	69.2	150	153.3	-69.3	-7.1	0	0	0	122.3
1468	S	28.7	Very low	29.9	Very low	104 Å²	104	115.2 Å²	115.2	73%	0.727	73%	0.728	S	S	*	*			cis	-174.7	144.4	-38.6	44.4	0	0	0	0	111.4
1469	G	28.7	Very low	29.9	Very low	86 Å²	86	117.3 Å²	117.3	89%	0.887	73%	0.732	S	S	*	*			trans	77.3	153.8	167.9	0	0	0	0	0	116.6
1470	G	28	Very low	29.2	Very low	81 Å²	81	119.3 Å²	119.3	84%	0.835	74%	0.737	S	S	*	*			cis	179.7	155.2	-6.3	0	0	0	0	0	111.8
1471	G	29	Very low	29.3	Very low	79 Å²	79	122 Å²	122	81%	0.814	74%	0.742	S	S	*	*			trans	98.6	114.7	-176	0	0	0	0	0	112.6
1472	S	30.1	Very low	29.5	Very low	113 Å²	113	123.1 Å²	123.1	79%	0.79	75%	0.754	S	S	*	*			cis	106	131.5	18	-164.8	0	0	0	0	114.4
1473	S	30	Very low	29.5	Very low	104 Å²	104	123.9 Å²	123.9	73%	0.727	76%	0.757	S	S	*	*			trans	77.6	139.8	164.3	79.3	0	0	0	0	121.1
1474	C	27.9	Very low	29.8	Very low	117 Å²	117	129.9 Å²	129.9	79%	0.791	77%	0.766	S	S	*	*			trans	64.6	64.6	145.1	-61.5	0	0	0	0	122.4
1475	V	28.9	Very low	29.6	Very low	135 Å²	135	129.7 Å²	129.7	82%	0.818	77%	0.765	S	S	*	*			trans	-144	110	142.6	-174	0	0	0	0	111.2
1476	S	28.3	Very low	29.6	Very low	69 Å²	69	132.1 Å²	132.1	48%	0.483	77%	0.772	S	S	.	*			trans	-108.1	66.8	-176.7	12.5	0	0	0	0	113.9	H191	H191-S1476 PolarHBondContact CD2-O 3.45Å; H191-S1476 PolarHBondContact CD2-OG 3.46Å; H191-S1476 VanDerWaalsContact CG-O 3.29Å
1477	K	28	Very low	29.5	Very low	139 Å²	139	131.1 Å²	131.1	60%	0.604	78%	0.775	S	S	*	*			trans	-144.9	85.3	174	-108	169.3	-176.5	170.8	0	113.3	H191	H191-K1477 VanDerWaalsContact CE1-CE 3.47Å; H191-K1477 WeakPolarHBondContact CE1-CE 2.94Å
1478	I	31	Very low	29.3	Very low	155 Å²	155	129.3 Å²	129.3	80%	0.795	78%	0.778	S	S	*	*			trans	-138.6	142.4	177.1	-64.5	-179.7	0	0	0	106.3
1479	N	31.2	Very low	29.4	Very low	142 Å²	142	129.9 Å²	129.9	76%	0.759	77%	0.773	S	S	*	*	S	Bend	cis	-129.9	125.9	12.8	-147.2	-19.8	0	0	0	113
1480	L	25.4	Very low	29.5	Very low	165 Å²	165	135.3 Å²	135.3	86%	0.864	77%	0.767	S	S	*	*			trans	-165.8	88.7	162.6	-132.6	-177.9	0	0	0	109.9
1481	R	29.5	Very low	29.4	Very low	235 Å²	235	136.1 Å²	136.1	89%	0.887	76%	0.755	S	S	*	*			trans	-168.5	143.6	157.3	-113.5	159.4	-169.7	174.3	2.6	114.7
1482	T	32.7	Very low	29.6	Very low	140 Å²	140	139.7 Å²	139.7	86%	0.859	75%	0.754	S	S	*	*			trans	-76.1	128.5	177.3	-36.5	0	0	0	0	111.9
1483	L	28.9	Very low	29.7	Very low	147 Å²	147	141.9 Å²	141.9	77%	0.77	75%	0.75	S	S	*	*			trans	-144.5	153.7	162.5	-70.2	175.7	0	0	0	105.6
1484	R	31.4	Very low	29.9	Very low	212 Å²	212	142.2 Å²	142.2	80%	0.8	75%	0.749	S	S	*	*			cis	-158.5	167.5	14.6	-143.5	169.8	-168.6	169.8	0.9	111.1
1485	S	32	Very low	29.8	Very low	105 Å²	105	145 Å²	145	73%	0.734	74%	0.743	S	S	*	*			trans	51.1	103.2	149.9	54.4	0	0	0	0	121.1
1486	Q	30.6	Very low	29.6	Very low	187 Å²	187	144.1 Å²	144.1	87%	0.874	74%	0.738	S	S	*	*			trans	-48.5	162.9	132.3	-71.7	162.1	-7.8	0	0	111.9
1487	S	28.1	Very low	29.6	Very low	105 Å²	105	145.8 Å²	145.8	73%	0.734	75%	0.75	S	S	*	*			cis	-172.3	159.4	-3.4	41.9	0	0	0	0	110.7
1488	A	27.4	Very low	29.6	Very low	95 Å²	95	144.2 Å²	144.2	79%	0.785	76%	0.755	S	S	*	*			trans	70	154.9	166.9	0	0	0	0	0	116
1489	D	30.9	Very low	29.4	Very low	117 Å²	117	145.7 Å²	145.7	63%	0.626	76%	0.756	S	S	*	*			cis	-140.3	166.3	11.7	-150.1	-6.4	0	0	0	114.5
1490	R	29.8	Very low	29.2	Very low	199 Å²	199	143.8 Å²	143.8	75%	0.751	75%	0.749	S	S	*	*			trans	31.9	108.6	161.1	-76	147.5	-137.5	-118.3	-0.2	119.3
1491	V	25.6	Very low	29.2	Very low	99 Å²	99	141 Å²	141	60%	0.6	74%	0.739	S	S	*	*				72.9	75.7	79.5	177.3	0	0	0	0	114
1492	I	33	Very low	29.1	Very low	154 Å²	154	136 Å²	136	79%	0.79	73%	0.734	S	S	*	*			trans	-137.1	124.3	130.2	-58.4	-177.4	0	0	0	104.3	P1494	I1492-P1494 HydrophobicContact CG2-CG 4.33Å
1493	K	33.6	Very low	29	Very low	159 Å²	159	136.4 Å²	136.4	69%	0.691	73%	0.731	S	S	*	*			cis	45	85.6	1.7	-140.6	-177.3	-171.2	-178.9	0	114.9	R1495	K1493-R1495 VanDerWaalsContact C-N 3.26Å; K1493-R1495 VanDerWaalsContact O-CB 3.25Å; K1493-R1495 WeakPolarHBondContact O-CB 3.45Å; K1493-R1495 PolarHBondContact O-N 2.64Å; K1493-R1495 VanDerWaalsContact O-N 3.14Å
1494	P	34.8	Very low	28.8	Very low	110 Å²	110	136.6 Å²	136.6	71%	0.714	73%	0.728	S	S	*	*			trans	-54.5	102.2	130.1	-4.5	23.7	0	0	0	104.4	I1492	I1492-P1494 HydrophobicContact CG2-CG 4.33Å
1495	R	24.8	Very low	28.7	Very low	176 Å²	176	131.4 Å²	131.4	66%	0.664	72%	0.721	S	S	*	*			cis	49	99.8	47.9	-94.1	-177.2	164.6	163.9	-5.4	107.8	K1493	K1493-R1495 VanDerWaalsContact C-N 3.26Å; K1493-R1495 VanDerWaalsContact O-CB 3.25Å; K1493-R1495 WeakPolarHBondContact O-CB 3.45Å; K1493-R1495 PolarHBondContact O-N 2.64Å; K1493-R1495 VanDerWaalsContact O-N 3.14Å
1496	T	25.2	Very low	28.4	Very low	117 Å²	117	130.7 Å²	130.7	72%	0.718	72%	0.715	S	S	*	*				56.5	109	106.2	59.9	0	0	0	0	110.3
1497	S	27.6	Very low	28.3	Very low	104 Å²	104	129.7 Å²	129.7	73%	0.727	71%	0.71	S	S	*	*			cis	-149.9	150.1	30.2	-54.9	0	0	0	0	109.2
1498	C	28.2	Very low	28.2	Very low	105 Å²	105	131.2 Å²	131.2	71%	0.709	71%	0.71	S	S	*	*			cis	62.5	121.1	48	-167.9	0	0	0	0	111.9
1499	K	27.3	Very low	28.3	Very low	187 Å²	187	133.6 Å²	133.6	81%	0.813	71%	0.708	S	S	*	*			trans	67	164.9	-171.3	-43.8	170.7	-172.2	-179.4	0	110.6
1500	T	25.9	Very low	27.9	Very low	101 Å²	101	136.6 Å²	136.6	62%	0.62	72%	0.719	S	S	*	*			cis	-140.6	168.9	11.5	-33.8	0	0	0	0	105.6
1501	T	25.4	Very low	27.9	Very low	106 Å²	106	132 Å²	132	65%	0.65	71%	0.714	S	S	*	*			cis	-161.9	139.5	37.3	-50.5	0	0	0	0	106.3
1502	V	27.5	Very low	27.8	Very low	130 Å²	130	131.3 Å²	131.3	79%	0.788	72%	0.719	S	S	*	*	S	Bend		-163.8	123.2	83.7	154	0	0	0	0	105
1503	L	30.3	Very low	27.6	Very low	150 Å²	150	131.3 Å²	131.3	79%	0.785	72%	0.72	S	S	*	*			cis	-140.2	139.4	8.4	-98.3	153.1	0	0	0	111.9
1504	Q	26	Very low	27.1	Very low	151 Å²	151	128.3 Å²	128.3	71%	0.706	72%	0.719	S	S	*	*			trans	-74.6	162.7	140.1	-114.5	-169.6	-21.4	0	0	107.5
1505	P	29.3	Very low	26.8	Very low	103 Å²	103	130.1 Å²	130.1	67%	0.669	72%	0.723	S	S	*	*			cis	-154	-168.8	44.6	45.6	-25	0	0	0	116.6
1506	C	25.2	Very low	26.9	Very low	90 Å²	90	127.3 Å²	127.3	61%	0.608	73%	0.725	S	S	*	*			trans	65.9	143.4	148.7	-67.7	0	0	0	0	121.4
1507	H	28.4	Very low	26.9	Very low	166 Å²	166	126.1 Å²	126.1	77%	0.769	72%	0.722	S	S	*	*			trans	65.5	153.2	165.5	-49.4	-54.6	0	0	0	116
1508	L	27.2	Very low	26.9	Very low	137 Å²	137	128 Å²	128	72%	0.717	72%	0.722	S	S	*	*			cis	-156.2	168.4	-21.7	-113	168.7	0	0	0	107.2
1509	L	27.9	Very low	27.3	Very low	144 Å²	144	129.8 Å²	129.8	75%	0.754	73%	0.73	S	S	*	*			trans	59.8	123	152.8	-72.3	163.2	0	0	0	120.8
1510	Q	24.1	Very low	27.6	Very low	181 Å²	181	131.7 Å²	131.7	85%	0.846	73%	0.732	S	S	*	*			trans	-62.7	140.3	130.8	-64.7	175.9	-32.5	0	0	107.8
1511	P	29.4	Very low	27.9	Very low	101 Å²	101	130.8 Å²	130.8	66%	0.656	73%	0.73	S	S	*	*				-132.5	165.7	83	42.1	-30.8	0	0	0	111.2
1512	A	23.5	Very low	28.3	Very low	86 Å²	86	135 Å²	135	71%	0.711	74%	0.739	S	S	*	*			cis	62.1	160.9	39.4	0	0	0	0	0	113
1513	L	27.5	Very low	29	Very low	153 Å²	153	133.1 Å²	133.1	80%	0.801	73%	0.73	S	S	*	*			trans	57.2	85.3	-176.4	-54.3	177.9	0	0	0	113.6
1514	S	24	Very low	29.3	Very low	97 Å²	97	133.9 Å²	133.9	68%	0.678	73%	0.727	S	S	*	*				61.1	114	84.9	76.3	0	0	0	0	113.9
1515	N	27.9	Very low	29.6	Very low	148 Å²	148	136.4 Å²	136.4	79%	0.791	73%	0.73	S	S	*	*			trans	-151.1	152.7	136.3	-116.8	-26.3	0	0	0	112.6
1516	T	27.7	Very low	29.8	Very low	116 Å²	116	137.1 Å²	137.1	71%	0.712	73%	0.733	S	S	*	*			trans	-3.7	136.2	151.1	56.7	0	0	0	0	115.6
1517	S	25.3	Very low	30	Very low	92 Å²	92	140.1 Å²	140.1	64%	0.643	74%	0.742	S	S	*	*			cis	160.4	171.8	17.6	53.6	0	0	0	0	104.5
1518	I	27.2	Very low	29.9	Very low	144 Å²	144	135.3 Å²	135.3	74%	0.738	74%	0.737	S	S	*	*			trans	63.5	101.4	176.9	-46	161.9	0	0	0	110.8
1519	T	35.6	Very low	30.1	Very low	143 Å²	143	135.9 Å²	135.9	88%	0.877	74%	0.739	S	S	*	*				-128.3	132.6	76.6	38	0	0	0	0	113.9
1520	R	33.8	Very low	30.2	Very low	226 Å²	226	134.7 Å²	134.7	85%	0.853	74%	0.738	S	S	*	*			trans	-91.4	163.8	176.2	-78.9	174.9	173.9	165.5	-4.6	110.5
1521	S	32	Very low	30.2	Very low	83 Å²	83	132.4 Å²	132.4	58%	0.58	74%	0.736	S	S	*	*			cis	179.3	141.4	-31.2	61.6	0	0	0	0	111.2
1522	K	34.3	Very low	30.2	Very low	193 Å²	193	132.7 Å²	132.7	84%	0.839	74%	0.741	S	S	*	*			trans	69.5	164.2	130.4	-76.6	-178.6	179.9	178.5	0	120
1523	P	43.3	Very low	30.3	Very low	92 Å²	92	134.6 Å²	134.6	60%	0.597	74%	0.739	S	S	*	*			cis	-153	-171.6	-36.2	44	-26.9	0	0	0	117.4
1524	K	35.4	Very low	30.5	Very low	165 Å²	165	132.2 Å²	132.2	72%	0.717	74%	0.735	S	S	*	*			trans	77.6	145.3	152.4	-69	165.8	-169.6	174	0	116.5
1525	R	33	Very low	30.6	Very low	204 Å²	204	134.8 Å²	134.8	77%	0.77	74%	0.736	S	S	*	*			cis	-151.3	139.2	-7.2	-121.7	158.7	-179.3	179.2	-5.9	108
1526	T	32.7	Very low	30.8	Very low	118 Å²	118	137.2 Å²	137.2	72%	0.724	74%	0.74	S	S	*	*				52.1	135.3	71.5	0.3	0	0	0	0	113.9
1527	L	30.4	Very low	31.1	Very low	153 Å²	153	136.8 Å²	136.8	80%	0.801	74%	0.737	S	S	*	*			cis	-134.4	176.4	8.9	-82.4	162	0	0	0	110.1
1528	G	26.2	Very low	31.5	Very low	65 Å²	65	136.9 Å²	136.9	67%	0.67	74%	0.738	S	S	*	*			cis	114.9	68.8	-9.2	0	0	0	0	0	117.2
1529	I	31.7	Very low	31.7	Very low	150 Å²	150	140.6 Å²	140.6	77%	0.769	74%	0.743	S	S	*	*			trans	-142.6	142.9	-175.6	-76.7	-175.4	0	0	0	113.8
1530	T	28.5	Very low	31.6	Very low	119 Å²	119	140.1 Å²	140.1	73%	0.73	73%	0.734	S	S	*	*			trans	3.1	147.6	164.9	59.8	0	0	0	0	121.8
1531	V	24	Very low	31.4	Very low	133 Å²	133	136.2 Å²	136.2	81%	0.806	73%	0.729	S	S	*	*			cis	72.1	94.7	22.4	-169.1	0	0	0	0	117.2
1532	S	30.2	Very low	31.4	Very low	106 Å²	106	136.7 Å²	136.7	74%	0.741	73%	0.733	S	S	*	*			trans	-148.3	129.2	148.4	57.4	0	0	0	0	106.1
1533	D	25.4	Very low	31.1	Very low	126 Å²	126	131.4 Å²	131.4	67%	0.674	71%	0.713	S	S	*	*				51.8	132.3	71.3	-70	-54.1	0	0	0	112.8
1534	S	31.5	Very low	30.7	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	71%	0.714	S	S	*	*			cis	-144.5	136.8	20.7	59.8	0	0	0	0	115.2
1535	Q	25.7	Very low	30.7	Very low	152 Å²	152	127.7 Å²	127.7	71%	0.71	71%	0.706	S	S	*	*				21.9	120.5	120.9	-47.7	176.5	30	0	0	119.5
1536	K	33.1	Very low	31	Very low	198 Å²	198	119 Å²	119	86%	0.861	68%	0.679	S	S	*	*				-143.1	117.4	119.5	-82.7	-165.5	179.7	171	0	107
1537	T	33.2	Very low	31.2	Very low	108 Å²	108	120.1 Å²	120.1	66%	0.663	67%	0.673	S	S	*	*				56.9	127.4	75	67.9	0	0	0	0	113.6
1538	S	33.6	Very low	31.4	Very low	94 Å²	94	122.6 Å²	122.6	66%	0.657	67%	0.672	S	S	*	*			cis	-174	145.3	-1.9	48	0	0	0	0	114.1
1539	R	31.2	Very low	31.8	Very low	221 Å²	221	129.6 Å²	129.6	83%	0.834	69%	0.693	S	S	*	*			trans	64.4	138.5	131.5	-74.4	176.5	173.9	176.1	-1.6	122.3
1540	I	33.8	Very low	31.8	Very low	134 Å²	134	128.6 Å²	128.6	69%	0.687	69%	0.689	S	S	*	*			trans	74.5	110.8	138.4	-70.2	166.7	0	0	0	115.1
1541	N	29.4	Very low	32	Very low	143 Å²	143	129.1 Å²	129.1	77%	0.765	69%	0.687	S	S	*	*				66.8	138.1	63.5	-64.6	-17.2	0	0	0	112.3
1542	S	32.5	Very low	32.4	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	68%	0.68	S	S	*	*			cis	-169.3	149.2	8.5	32.4	0	0	0	0	110.7
1543	L	29.2	Very low	32.6	Very low	82 Å²	82	130.2 Å²	130.2	43%	0.429	68%	0.676	S	S	.	*			trans	50.1	138.7	143	-74.1	59.3	0	0	0	118.4	M1347 N1348	M1347-L1543 HydrophobicContact CB-CD2 3.96Å; M1347-L1543 HydrophobicContact CE-CD1 4.31Å; M1347-L1543 HydrophobicContact CE-CD2 4.49Å; M1347-L1543 HydrophobicContact CE-CG 4.14Å; M1347-L1543 HydrophobicContact CG-CD2 3.83Å; M1347-L1543 HydrophobicContact CG-CG 4.13Å; M1347-L1543 HydrophobicContact SD-CD1 4.32Å; M1347-L1543 HydrophobicContact SD-CD2 3.6Å; M1347-L1543 VanDerWaalsContact SD-CD2 3.6Å; M1347-L1543 HydrophobicContact SD-CG 3.89Å; N1348-L1543 WeakPolarHBondContact OD1-CD2 3.34Å
1544	T	35	Very low	33	Very low	99 Å²	99	130.4 Å²	130.4	61%	0.607	68%	0.677	S	S	*	*				-172.9	156.4	61.7	47.2	0	0	0	0	113.6
1545	S	35.1	Very low	33.1	Very low	80 Å²	80	132.3 Å²	132.3	56%	0.559	67%	0.674	S	S	*	*			trans	81.2	147.3	141.6	-69.2	0	0	0	0	122.4
1546	A	37.9	Very low	33.6	Very low	23 Å²	23	130.9 Å²	130.9	19%	0.19	67%	0.671	C	S	.	*			cis	-160.9	145.9	-16.7	0	0	0	0	0	122.5	R1343 D1344 S1345	R1343-A1546 VanDerWaalsContact CZ-O 3.26Å; R1343-A1546 PolarHBondContact NE-O 2.71Å; R1343-A1546 PolarHBondContact NH2-O 2.68Å; D1344-A1546 VanDerWaalsContact CB-C 3.47Å; D1344-A1546 WeakPolarHBondContact OD2-CA 3.46Å; D1344-A1546 PolarHBondContact OD2-N 3.21Å; S1345-A1546 WeakPolarHBondContact OG-CA 3.3Å; S1345-A1546 WeakPolarHBondContact OG-CB 3.49Å
1547	K	37.3	Very low	33.7	Very low	141 Å²	141	125.7 Å²	125.7	61%	0.613	66%	0.657	S	S	*	*			trans	77.8	128.1	151.6	-86.3	-176.9	175.1	-179.7	0	124.8	R1343 D1344 S1345	R1343-K1547 CarbonylContact C-O 3.4Å; R1343-K1547 WeakPolarHBondContact CB-O 3.29Å; R1343-K1547 WeakPolarHBondContact CD-O 3.45Å; R1343-K1547 WeakPolarHBondContact CG-O 3.27Å; D1344-K1547 VanDerWaalsContact C-C 3.43Å; D1344-K1547 VanDerWaalsContact CB-N 3.35Å; D1344-K1547 WeakPolarHBondContact CB-O 3.48Å; D1344-K1547 PolarHBondContact N-O 2.67Å; D1344-K1547 CarbonylContact O-C 3.56Å; S1345-K1547 VanDerWaalsContact N-N 3.11Å; S1345-K1547 PolarHBondContact OG-N 2.79Å
1548	R	34.3	Very low	33.7	Very low	204 Å²	204	127.2 Å²	127.2	77%	0.77	66%	0.656	S	S	*	*			trans	-40.3	152.7	178.8	-68.2	-178	-179.5	153.5	-3.3	120.7	R1343 D1344	R1343-R1548 CarbonylContact O-C 3.57Å; R1343-R1548 VanDerWaalsContact O-C 3.29Å; R1343-R1548 VanDerWaalsContact O-CA 3.28Å; R1343-R1548 WeakPolarHBondContact O-CA 3.27Å; D1344-R1548 VanDerWaalsContact N-CA 3.31Å; D1344-R1548 WeakPolarHBondContact O-CA 3.26Å; D1344-R1548 WeakPolarHBondContact O-CG 3.32Å; D1344-R1548 PolarHBondContact O-N 2.65Å
1549	L	35.3	Very low	33.7	Very low	212 Å²	212	130.2 Å²	130.2	100%	1.11	66%	0.656	S	S	*	*				-109.4	0	113.3	-99.5	163.9	0	0	0	109.3	R1343	R1343-L1549 PolarHBondContact O-N 3.28Å

Retrieved 1,549 of 1,549 residues in 813.9 ms (Link to these results)

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