A0A077Z1I9_TRITR Loading...

Folliculin-interacting protein 1

AlphaFold DB , UniProt , Accession A0A077Z1I9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,045 aa.

						>A0A077Z1I9_TRITR|A0A077Z1I9
MDDRLPVERIVGIPRHLSHDFVSLAFATTIPASSSSSFDCMVQPGPTEKKATAVVEPKAQVNGITPVVPHGDAASSCRFNSVDRRESKCSKHGRPHSFNSTFYEASYCYPCYSFDSIRLVLFRENEYRERRVLFDSEAYCRRRCSEGSSNTKSRTSPVHSAPYRQRQNNVECDDRFRKQPLDHDTVKLLGEMIFGTIAMTVKVDTTKVHHFRSSGSLMLSKIFPCIQPEFTKSCGNGNMLSIIRDGLELFESDSDSHSSTVNSLENCFYFRNPCKSIPLEVPDKLHRSPRVCSPNLPGHSSAPFPSRSGGDTVGSTPLSSSLKRYHLNQATNFPSGSARRLDDSPDSTHMAVFSCSRLTRLQLGIGVLFTFEQDPSKAAANDYFRRFLLLHMQIVELELNLLQEAILKTYFSKKVFSVNVWKAWMAFVSAIRVLYETPRFSYPVWLTLMHPADKTQKRQLDATFLRVFNQLANTCDVRESNFFLSTLLTACLMNHLTWVSSVAPSMVFAEEVPKLTKLPQWRRNTEAAAHPYNQHLAQLLDIWGAVTSPCRIARTLVLGDRRDFVMKILFILSYFIRCSSIEQNSSPVNANSECAQLARLLNDDDESLFGAPAAADNSETEKKVVVTHNAIPSPLHVGHQGGADEWESPSLDTTFKRCYSLSQGTTMAGLSWQLRQRHSSAKETLRLDRTAANRLRCRSGSTLSTERLLRMNAASFKLPSSLSSSTQREPTSLCLLRNASVLSTAEDAGTLPPQSRQQPQACCSPYPSLRSSVIQENSPPDSNDGSAYGSPKKKETTGREKNEDNDGGLKSVVSDQHPSDNLYVDPSSITYDDVFAGSYVEELKEHRSDQTDQAKTEASGGRVNNRIADLGSSLIAAYTEEFSPYFALAGTLFTPSVYEKVHDAMKQLASANITSPEPIKEAVCIVANTSDWSVRLISSSANYCFTGEGNCFVPSKLISDMVEQTKFLMEKHLSTELCMGNLEDHLADVYSKSCALTTLVDDDRNSTLDLLKVANLVGCDLSDIPLLMSVATVHSSETVLSLGVI
					

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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	36.6	Very low	34.9	Very low	243 Å²	243	174 Å²	174	100%	1.197	87%	0.866	S	S	*	*				0	103.9	0	-84.1	-140.1	172.3	0	0	105.6
2	D	32.5	Very low	34.4	Very low	150 Å²	150	165.7 Å²	165.7	80%	0.802	86%	0.858	S	S	*	*			trans	-67.9	139.3	-171.2	-62.1	-46.8	0	0	0	112.4
3	D	34.8	Very low	33.9	Very low	141 Å²	141	164.2 Å²	164.2	75%	0.754	85%	0.849	S	S	*	*			trans	49.6	124.2	133.2	-63.1	-22	0	0	0	120.9
4	R	37	Very low	34	Very low	236 Å²	236	161.2 Å²	161.2	89%	0.891	85%	0.846	S	S	*	*				-167.4	106.4	115.4	-99.7	164	-161.6	-130.4	6.5	112.7
5	L	32.2	Very low	33.5	Very low	161 Å²	161	164.7 Å²	164.7	84%	0.843	84%	0.843	S	S	*	*				51.6	128.2	126.3	-68.1	164.2	0	0	0	121.5
6	P	46	Very low	33.2	Very low	113 Å²	113	165.1 Å²	165.1	73%	0.734	84%	0.84	S	S	*	*			trans	-106.6	175.2	171.7	40.8	-31.5	0	0	0	112.8
7	V	32.4	Very low	33	Very low	130 Å²	130	165.6 Å²	165.6	79%	0.788	84%	0.844	S	S	*	*			trans	176.7	123.8	139.8	165.2	0	0	0	0	109.3
8	E	34.9	Very low	32.6	Very low	198 Å²	198	161.3 Å²	161.3	93%	0.925	83%	0.832	S	S	*	*				-164.2	138.2	121.7	-108.7	-174.6	-177.5	0	0	112.1
9	R	30.9	Very low	32.5	Very low	229 Å²	229	161.5 Å²	161.5	86%	0.864	83%	0.828	S	S	*	*			trans	-89.1	147.8	-168.5	-74	170	167.6	159.5	-3.8	111.6
10	I	33.6	Very low	32.3	Very low	176 Å²	176	159.6 Å²	159.6	90%	0.903	82%	0.819	S	S	*	*			trans	-121.3	140.8	141.6	-65.8	-179	0	0	0	108.6
11	V	32.6	Very low	32.1	Very low	137 Å²	137	161.2 Å²	161.2	83%	0.83	82%	0.821	S	S	*	*			trans	-82.3	144.5	-160.7	170.2	0	0	0	0	112.7
12	G	28.8	Very low	31.9	Very low	74 Å²	74	155.6 Å²	155.6	76%	0.763	80%	0.8	S	S	*	*			trans	169.5	77.7	166.7	0	0	0	0	0	113.4
13	I	29.1	Very low	31.5	Very low	146 Å²	146	154.2 Å²	154.2	75%	0.749	80%	0.802	S	S	*	*			trans	-129.7	143.5	174.3	-80.2	-179.7	0	0	0	104
14	P	34.1	Very low	31.2	Very low	123 Å²	123	155 Å²	155	80%	0.799	81%	0.805	S	S	*	*				-147.4	152.2	69	34	-10.2	0	0	0	121.8
15	R	26.9	Very low	30.7	Very low	213 Å²	213	148.2 Å²	148.2	80%	0.804	80%	0.8	S	S	*	*			trans	-51.8	141.5	159.1	-64.3	172.7	170.9	172.6	-4.6	111.5
16	H	29.7	Very low	30.6	Very low	172 Å²	172	150.6 Å²	150.6	80%	0.796	80%	0.804	S	S	*	*				166.3	123.6	119.1	-96	-74.4	0	0	0	107.4
17	L	29.4	Very low	29.8	Very low	174 Å²	174	149.4 Å²	149.4	91%	0.911	80%	0.803	S	S	*	*			trans	-171.7	105.3	141.1	-98.5	163.3	0	0	0	108.1
18	S	25.9	Very low	29.6	Very low	88 Å²	88	149.6 Å²	149.6	62%	0.615	81%	0.805	S	S	*	*			trans	-70.5	158.7	151.8	42.8	0	0	0	0	109.9
19	H	30.8	Very low	29.3	Very low	164 Å²	164	146.6 Å²	146.6	76%	0.759	80%	0.8	S	S	*	*			trans	104	99.3	173.8	-70.9	-80.5	0	0	0	117.6
20	D	27.6	Very low	29.4	Very low	123 Å²	123	142.7 Å²	142.7	66%	0.658	80%	0.795	S	S	*	*				72.5	146.1	122.3	-57.1	-24.2	0	0	0	123.7
21	F	29.6	Very low	29.4	Very low	195 Å²	195	139.9 Å²	139.9	86%	0.855	79%	0.788	S	S	*	*			trans	84.3	119.8	167.9	-69.5	-85.1	0	0	0	115.7
22	V	30.5	Very low	29.2	Very low	124 Å²	124	137.4 Å²	137.4	75%	0.752	78%	0.782	S	S	*	*			cis	-147.1	126.2	36.6	172.2	0	0	0	0	110.7
23	S	25.7	Very low	29.2	Very low	122 Å²	122	139.7 Å²	139.7	85%	0.853	79%	0.787	S	S	*	*			trans	-128.9	131.3	155.4	-166.5	0	0	0	0	107.5
24	L	27.8	Very low	29.2	Very low	157 Å²	157	138.7 Å²	138.7	82%	0.822	79%	0.792	S	S	*	*			trans	-91.6	107.3	-178.1	-132.9	109.9	0	0	0	108.3
25	A	26.9	Very low	29	Very low	93 Å²	93	138.3 Å²	138.3	77%	0.769	79%	0.792	S	S	*	*			trans	-146.2	114.4	160.4	0	0	0	0	0	108
26	F	29.1	Very low	29.2	Very low	212 Å²	212	133.7 Å²	133.7	93%	0.93	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-82.1	141.2	176.3	-113.7	-92.5	0	0	0	110.5
27	A	29.2	Very low	29.1	Very low	87 Å²	87	130.8 Å²	130.8	72%	0.719	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-75	149.8	-164.9	0	0	0	0	0	115.2
28	T	28.5	Very low	29.1	Very low	135 Å²	135	132.6 Å²	132.6	83%	0.828	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-71.5	132.3	159.8	22.2	0	0	0	0	111.3
29	T	29.3	Very low	29.3	Very low	134 Å²	134	135 Å²	135	82%	0.822	80%	0.799	S	S	*	*			trans	-107	122	162.3	-51	0	0	0	0	108
30	I	31.8	Very low	29	Very low	148 Å²	148	131.9 Å²	131.9	76%	0.759	79%	0.794	S	S	*	*			trans	-129	132.9	161.7	-62.6	175	0	0	0	106.3
31	P	34	Very low	28.9	Very low	116 Å²	116	134.7 Å²	134.7	75%	0.753	81%	0.806	S	S	*	*			trans	-109.3	136.6	145.7	33.1	-22.6	0	0	0	109.8
32	A	27.7	Very low	28.9	Very low	86 Å²	86	131.7 Å²	131.7	71%	0.711	80%	0.803	S	S	*	*			trans	-82.8	160	172	0	0	0	0	0	111.4
33	S	29.3	Very low	28.9	Very low	122 Å²	122	134.6 Å²	134.6	85%	0.853	81%	0.809	S	S	*	*			trans	81.7	101.4	161.3	72.6	0	0	0	0	118.8
34	S	30.4	Very low	29.7	Very low	124 Å²	124	134.4 Å²	134.4	87%	0.867	81%	0.805	S	S	*	*				-151.3	133.2	120.6	56.8	0	0	0	0	110
35	S	28.2	Very low	29.8	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	80%	0.8	S	S	*	*			trans	-82.2	133.5	175.9	47.8	0	0	0	0	110.8
36	S	31.2	Very low	30.4	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	80%	0.8	S	S	*	*			trans	-152.9	107	144.1	52.5	0	0	0	0	110.2
37	S	28	Very low	30.4	Very low	111 Å²	111	127.6 Å²	127.6	78%	0.776	79%	0.794	S	S	*	*			trans	-69.2	133.8	158.6	-52.1	0	0	0	0	108.6
38	F	29.5	Very low	30.3	Very low	212 Å²	212	130.3 Å²	130.3	93%	0.93	79%	0.791	S	S	*	*			trans	-134.8	115.6	146.4	-106.1	-79.6	0	0	0	108.6
39	D	29.3	Very low	30.3	Very low	139 Å²	139	132 Å²	132	74%	0.743	79%	0.787	S	S	*	*			trans	-79.7	137	176.7	-113.7	-40	0	0	0	110.9
40	C	24.9	Very low	30.4	Very low	99 Å²	99	134.9 Å²	134.9	67%	0.669	79%	0.789	S	S	*	*			trans	52.2	126.5	131	-75.2	0	0	0	0	123.4
41	M	25.2	Very low	30	Very low	181 Å²	181	133 Å²	133	89%	0.892	80%	0.795	S	S	*	*			trans	99.4	127.1	131.6	-78.4	-176.1	179.3	0	0	120.6
42	V	30.4	Very low	29.8	Very low	133 Å²	133	132.9 Å²	132.9	81%	0.806	79%	0.792	S	S	*	*			trans	142.9	85.4	142.3	171.8	0	0	0	0	107.6
43	Q	31.4	Very low	29.8	Very low	185 Å²	185	133.4 Å²	133.4	86%	0.864	80%	0.797	S	S	*	*				98.4	154.5	91.1	-91.1	-141.1	-1.1	0	0	114.1
44	P	41.2	Very low	29.7	Very low	118 Å²	118	133.3 Å²	133.3	77%	0.766	79%	0.79	S	S	*	*			trans	-112.5	168.9	-138.8	40.8	-32.6	0	0	0	115.1
45	G	29.7	Very low	29.6	Very low	71 Å²	71	133.5 Å²	133.5	73%	0.732	79%	0.786	S	S	*	*			trans	-174.2	149	165	0	0	0	0	0	113.2
46	P	40.5	Very low	29.4	Very low	118 Å²	118	134.5 Å²	134.5	77%	0.766	78%	0.778	S	S	*	*			trans	-121.7	-173.7	-138.3	34.2	-16.3	0	0	0	115.1
47	T	29.1	Very low	29.4	Very low	129 Å²	129	134.6 Å²	134.6	79%	0.791	78%	0.776	S	S	*	*			trans	83.3	138.6	170.6	74.2	0	0	0	0	114.6
48	E	27.5	Very low	29.2	Very low	144 Å²	144	138.1 Å²	138.1	67%	0.673	78%	0.777	S	S	*	*			cis	-169.3	155.3	9.8	-128.6	-176	-176.1	0	0	107.7
49	K	27.4	Very low	29.2	Very low	170 Å²	170	132.5 Å²	132.5	74%	0.739	77%	0.77	S	S	*	*			trans	70.6	103.5	153.7	-63.7	162.8	175.7	146	0	120.4
50	K	31	Very low	29.2	Very low	196 Å²	196	134.6 Å²	134.6	85%	0.852	78%	0.776	S	S	*	*				170	111.4	98.3	-106.6	179	174.6	177	0	109.8	T52	K50-T52 PolarHBondContact O-N 3.39Å
51	A	24.9	Very low	29.2	Very low	108 Å²	108	136.5 Å²	136.5	89%	0.893	78%	0.784	S	S	*	*			trans	-77	108.7	163.3	0	0	0	0	0	108.2
52	T	29.6	Very low	29.4	Very low	114 Å²	114	135 Å²	135	70%	0.699	78%	0.779	S	S	*	*			trans	-114.1	99.5	160.6	-39.6	0	0	0	0	105.8	K50 V54	K50-T52 PolarHBondContact O-N 3.39Å; T52-V54 PolarHBondContact O-N 3.13Å; T52-V54 VanDerWaalsContact O-N 3.14Å
53	A	27.7	Very low	29.1	Very low	97 Å²	97	132.3 Å²	132.3	80%	0.802	78%	0.779	S	S	*	*			trans	-72.5	101	172.2	0	0	0	0	0	108.3
54	V	26.4	Very low	28.9	Very low	119 Å²	119	131 Å²	131	72%	0.721	78%	0.776	S	S	*	*			trans	-91.6	108	159.8	175.6	0	0	0	0	106	T52 E56	T52-V54 PolarHBondContact O-N 3.13Å; T52-V54 VanDerWaalsContact O-N 3.14Å; V54-E56 PolarHBondContact O-N 3.42Å
55	V	28.3	Very low	28.1	Very low	128 Å²	128	131 Å²	131	78%	0.776	77%	0.774	S	S	*	*			trans	-81.6	95.8	171.7	176.5	0	0	0	0	107.2
56	E	23.7	Very low	27.9	Very low	136 Å²	136	133.4 Å²	133.4	64%	0.636	78%	0.777	S	S	*	*			trans	-77.1	130.1	153.8	-76.4	-169.7	159.8	0	0	108.3	V54 K58	V54-E56 PolarHBondContact O-N 3.42Å; E56-K58 IonicContact OE2-NZ 2.86Å
57	P	31.6	Very low	27.2	Very low	119 Å²	119	133.9 Å²	133.9	77%	0.773	78%	0.777	S	S	*	*			trans	-96	95.1	154.1	31.8	-21.6	0	0	0	108.6	A59	P57-A59 PolarHBondContact O-N 3.4Å
58	K	23.1	Very low	26.9	Very low	184 Å²	184	132.8 Å²	132.8	80%	0.8	77%	0.77	S	S	*	*			trans	-70.9	100.9	152.8	-83.3	177	178.6	164.4	0	107.7	E56	E56-K58 IonicContact OE2-NZ 2.86Å
59	A	30.1	Very low	26.9	Very low	95 Å²	95	131.6 Å²	131.6	79%	0.785	78%	0.775	S	S	*	*			trans	-103.9	117.4	162	0	0	0	0	0	108.7	P57	P57-A59 PolarHBondContact O-N 3.4Å
60	Q	29.1	Very low	26.7	Very low	183 Å²	183	132.3 Å²	132.3	86%	0.855	78%	0.78	S	S	*	*			trans	-59.9	134.8	-178.5	-72.9	166.3	-59.1	0	0	112.1	N62	Q60-N62 PolarHBondContact O-N 3.49Å
61	V	26	Very low	26.5	Very low	138 Å²	138	126.1 Å²	126.1	84%	0.836	77%	0.772	S	S	*	*			trans	-61.7	115.3	161.1	173.3	0	0	0	0	108.6
62	N	28.7	Very low	26.4	Very low	149 Å²	149	127.1 Å²	127.1	80%	0.797	76%	0.763	S	S	*	*			trans	-122.1	121.8	156.1	-90.6	-22.9	0	0	0	108	Q60 I64	Q60-N62 PolarHBondContact O-N 3.49Å; N62-I64 PolarHBondContact O-N 3.11Å
63	G	24.5	Very low	26.2	Very low	77 Å²	77	127 Å²	127	79%	0.794	77%	0.773	S	S	*	*			trans	-60	129.7	-175.1	0	0	0	0	0	112.5
64	I	26.8	Very low	25.9	Very low	159 Å²	159	126.5 Å²	126.5	82%	0.815	77%	0.769	S	S	*	*			trans	-127.9	115.2	159.9	-60.2	179.4	0	0	0	106	N62	N62-I64 PolarHBondContact O-N 3.11Å
65	T	25	Very low	25.9	Very low	116 Å²	116	126.4 Å²	126.4	71%	0.712	77%	0.773	S	S	*	*			trans	-45.3	136.1	167.6	24.4	0	0	0	0	111.8	V67	T65-V67 PolarHBondContact O-N 3.31Å; T65-V67 VanDerWaalsContact O-N 3.1Å
66	P	25.2	Very low	25.8	Very low	123 Å²	123	124.5 Å²	124.5	80%	0.799	77%	0.766	S	S	*	*			trans	-75.1	105.6	173.1	29.9	-29.2	0	0	0	108.6	V68	P66-V68 PolarHBondContact O-N 3.04Å
67	V	24.9	Very low	25.7	Very low	128 Å²	128	124.2 Å²	124.2	78%	0.776	78%	0.778	S	S	*	*			trans	-75.1	102.8	163.7	176.7	0	0	0	0	106.9	T65 P69	T65-V67 PolarHBondContact O-N 3.31Å; T65-V67 VanDerWaalsContact O-N 3.1Å; V67-P69 VanDerWaalsContact O-CD 3.32Å; V67-P69 WeakPolarHBondContact O-CD 3.33Å
68	V	23.7	Very low	25.3	Very low	106 Å²	106	128.3 Å²	128.3	64%	0.642	78%	0.778	S	S	*	*			trans	-61.8	117.2	165.1	175.9	0	0	0	0	108.3	P66 H70	P66-V68 PolarHBondContact O-N 3.04Å; V68-H70 PolarHBondContact O-N 3.17Å
69	P	26.4	Very low	25.4	Very low	118 Å²	118	129.4 Å²	129.4	77%	0.766	78%	0.783	S	S	*	*			trans	-84.8	97.9	165.6	31.6	-22.9	0	0	0	107.8	V67 G71	V67-P69 VanDerWaalsContact O-CD 3.32Å; V67-P69 WeakPolarHBondContact O-CD 3.33Å; P69-G71 VanDerWaalsContact C-N 3.29Å; P69-G71 PolarHBondContact O-N 3.38Å
70	H	22.9	Very low	25.1	Very low	186 Å²	186	131 Å²	131	86%	0.861	78%	0.778	S	S	*	*			trans	-64	96.8	152.2	-90.4	-68.3	0	0	0	107.5	V68	V68-H70 PolarHBondContact O-N 3.17Å
71	G	27.5	Very low	24.9	Very low	66 Å²	66	127.1 Å²	127.1	68%	0.68	77%	0.771	S	S	*	*			trans	-114.8	103.7	174.2	0	0	0	0	0	110.2	P69 A73	P69-G71 VanDerWaalsContact C-N 3.29Å; P69-G71 PolarHBondContact O-N 3.38Å; G71-A73 PolarHBondContact O-N 3.1Å
72	D	23.7	Very low	25	Very low	129 Å²	129	127.4 Å²	127.4	69%	0.69	77%	0.773	S	S	*	*			trans	-56.1	112.7	175.9	-74.9	-46.8	0	0	0	111.8	A74 N168	D72-A74 VanDerWaalsContact C-N 3.28Å; D72-A74 PolarHBondContact O-N 2.69Å; D72-N168 PolarHBondContact OD1-ND2 3.47Å; D72-N168 VanDerWaalsContact OD1-ND2 3.09Å
73	A	24	Very low	24.9	Very low	111 Å²	111	126.5 Å²	126.5	92%	0.917	77%	0.768	S	S	*	*			trans	-75.9	78.5	167.6	0	0	0	0	0	110.3	G71	G71-A73 PolarHBondContact O-N 3.1Å
74	A	23	Very low	24.8	Very low	87 Å²	87	134.6 Å²	134.6	72%	0.719	78%	0.775	S	S	*	*			trans	-161.9	84.3	164.1	0	0	0	0	0	111.4	D72	D72-A74 VanDerWaalsContact C-N 3.28Å; D72-A74 PolarHBondContact O-N 2.69Å
75	S	26.4	Very low	24.8	Very low	116 Å²	116	137.9 Å²	137.9	81%	0.811	78%	0.777	S	S	*	*			trans	-163.8	112.1	148.7	47.3	0	0	0	0	113.4
76	S	24.7	Very low	24.8	Very low	89 Å²	89	141.7 Å²	141.7	62%	0.622	79%	0.786	S	S	*	*			trans	51.1	90.1	133.9	-179.2	0	0	0	0	118.3	R78	S76-R78 PolarHBondContact O-N 2.94Å
77	C	22.8	Very low	24.9	Very low	130 Å²	130	141.4 Å²	141.4	88%	0.878	79%	0.787	S	S	*	*			trans	-65.2	86.1	148.8	-62.1	0	0	0	0	109.3
78	R	23.1	Very low	25	Very low	205 Å²	205	145.2 Å²	145.2	77%	0.774	79%	0.793	S	S	*	*			trans	-89.2	105.3	157.6	-89.8	-178.6	-174.6	179.1	2.4	107.1	S76 N80	S76-R78 PolarHBondContact O-N 2.94Å; R78-N80 VanDerWaalsContact C-N 3.3Å; R78-N80 PolarHBondContact O-N 3.46Å
79	F	24.1	Very low	25.1	Very low	206 Å²	206	146.5 Å²	146.5	90%	0.904	81%	0.806	S	S	*	*			trans	-60.8	97.5	156.3	-88.8	-89.2	0	0	0	107.6
80	N	25.4	Very low	25.1	Very low	130 Å²	130	146.3 Å²	146.3	70%	0.695	81%	0.807	S	S	*	*			trans	-89.4	123.5	161.1	-89.1	-8.5	0	0	0	107.9	R78 V82	R78-N80 VanDerWaalsContact C-N 3.3Å; R78-N80 PolarHBondContact O-N 3.46Å; N80-V82 PolarHBondContact O-N 3.22Å
81	S	24	Very low	25.5	Very low	101 Å²	101	146 Å²	146	71%	0.706	80%	0.804	S	S	*	*			trans	-43.1	120.7	166.7	54.6	0	0	0	0	111.2	D83	S81-D83 PolarHBondContact O-N 3.43Å
82	V	28.4	Very low	25.5	Very low	144 Å²	144	152 Å²	152	87%	0.873	81%	0.813	S	S	*	*			trans	-78.7	109.6	162.3	177.4	0	0	0	0	107	N80 R84	N80-V82 PolarHBondContact O-N 3.22Å; V82-R84 PolarHBondContact O-N 3.33Å
83	D	25.5	Very low	25.7	Very low	129 Å²	129	149 Å²	149	69%	0.69	81%	0.814	S	S	*	*			trans	-50.1	129.2	172.6	-85.1	-46.6	0	0	0	111.9	S81 R85	S81-D83 PolarHBondContact O-N 3.43Å; D83-R85 PolarHBondContact O-N 3.2Å; D83-R85 VanDerWaalsContact O-N 3.08Å
84	R	23.9	Very low	25.8	Very low	248 Å²	248	155.6 Å²	155.6	94%	0.936	82%	0.815	S	S	*	*			trans	-54.2	107.8	155.7	-88.5	177.8	165.9	159.7	-4.4	108.7	V82	V82-R84 PolarHBondContact O-N 3.33Å
85	R	26.7	Very low	26	Very low	228 Å²	228	156.8 Å²	156.8	86%	0.86	82%	0.815	S	S	*	*			trans	-115.2	100.7	156.3	-84.3	-174.3	174.7	-179.2	-0.5	109.6	D83 S87	D83-R85 PolarHBondContact O-N 3.2Å; D83-R85 VanDerWaalsContact O-N 3.08Å; R85-S87 PolarHBondContact O-N 3.18Å
86	E	24	Very low	25.9	Very low	196 Å²	196	159.9 Å²	159.9	92%	0.916	82%	0.816	S	S	*	*			trans	-53	123.5	158.6	-66.4	-179.7	156.4	0	0	109.1
87	S	28.5	Very low	26	Very low	117 Å²	117	160.4 Å²	160.4	82%	0.818	82%	0.82	S	S	*	*			trans	-129.2	113.4	161.7	52	0	0	0	0	109.2	R85	R85-S87 PolarHBondContact O-N 3.18Å
88	K	25.3	Very low	26.1	Very low	207 Å²	207	163.5 Å²	163.5	90%	0.9	82%	0.819	S	S	*	*			trans	-78.2	123.6	170.4	-80.1	172.2	173.2	169.3	0	109.3
89	C	25.9	Very low	26.2	Very low	134 Å²	134	160.4 Å²	160.4	91%	0.905	82%	0.818	S	S	*	*			trans	175.8	144.1	151.8	-109.9	0	0	0	0	107.4
90	S	28.1	Very low	26.2	Very low	114 Å²	114	156 Å²	156	80%	0.797	81%	0.813	S	S	*	*			cis	-162.1	158.2	-18	-174.9	0	0	0	0	104.5
91	K	29.7	Very low	26.2	Very low	180 Å²	180	155 Å²	155	78%	0.783	81%	0.811	S	S	*	*			trans	-66.1	149.8	-174	-71.1	171.1	175.1	176.4	0	112.8
92	H	28	Very low	26.4	Very low	190 Å²	190	155 Å²	155	88%	0.88	80%	0.799	S	S	*	*			trans	86.6	89.4	160.9	-57.8	-45.3	0	0	0	118.4
93	G	27.8	Very low	26.6	Very low	68 Å²	68	154.5 Å²	154.5	70%	0.701	78%	0.782	S	S	*	*			trans	-167.2	116.9	152.7	0	0	0	0	0	108.6	P95	G93-P95 WeakPolarHBondContact O-CD 3.45Å
94	R	25.8	Very low	26.8	Very low	249 Å²	249	157.7 Å²	157.7	94%	0.94	79%	0.793	S	S	*	*			trans	-59.7	122	174.4	-76.9	178.4	174.2	-178.7	-2.6	108.9
95	P	28.6	Very low	27.1	Very low	111 Å²	111	148.9 Å²	148.9	72%	0.721	77%	0.773	S	S	*	*			trans	-96.6	120.7	171.1	32.1	-21	0	0	0	109.5	G93 S97	G93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-S97 VanDerWaalsContact C-N 3.3Å; P95-S97 PolarHBondContact O-N 2.95Å
96	H	23.6	Very low	27.6	Very low	182 Å²	182	140.9 Å²	140.9	84%	0.843	75%	0.752	S	S	*	*			trans	-61	98.3	149.3	-77.9	-81.6	0	0	0	106.8	F98	H96-F98 PolarHBondContact O-N 2.85Å
97	S	27.1	Very low	28.7	Very low	100 Å²	100	136 Å²	136	70%	0.699	73%	0.726	S	S	*	*			trans	-75.3	102.9	175	69.4	0	0	0	0	108.8	P95	P95-S97 VanDerWaalsContact C-N 3.3Å; P95-S97 PolarHBondContact O-N 2.95Å
98	F	24.9	Very low	29.7	Very low	194 Å²	194	136.4 Å²	136.4	85%	0.851	73%	0.727	S	S	*	*			trans	-65.3	128.7	158.8	-91.7	-91.2	0	0	0	108.9	H96 S100	H96-F98 PolarHBondContact O-N 2.85Å; F98-S100 PolarHBondContact O-N 3.02Å
99	N	24.8	Very low	31.8	Very low	141 Å²	141	128.8 Å²	128.8	75%	0.754	69%	0.693	S	S	*	*			trans	-45.5	117.1	-175.1	-65.4	-25.8	0	0	0	115.1
100	S	24.9	Very low	34.4	Very low	114 Å²	114	124.3 Å²	124.3	80%	0.797	66%	0.663	S	S	*	*			trans	-132.8	25.3	161.8	87	0	0	0	0	113.5	F98	F98-S100 PolarHBondContact O-N 3.02Å
101	T	25	Very low	36.7	Very low	109 Å²	109	124.4 Å²	124.4	67%	0.669	66%	0.662	S	S	*	*			trans	-124.2	43.9	-169.7	51.1	0	0	0	0	114.9
102	F	28.6	Very low	39.4	Very low	100 Å²	100	116.4 Å²	116.4	44%	0.439	63%	0.627	S	S	.	*			trans	-147	44.7	-176.9	-85.5	-78.4	0	0	0	115.7	D832	F102-D832 HydrophobicContact CD1-CB 3.87Å; F102-D832 HydrophobicContact CE1-CB 4.44Å; F102-D832 VanDerWaalsContact O-OD2 3.04Å
103	Y	31.2	Very low	42.2	Very low	133 Å²	133	109.8 Å²	109.8	52%	0.522	60%	0.602	S	S	.	*	S	Bend	trans	-131.9	4.8	169.3	-69.4	-60.3	0	0	0	114.6	R562 D563	Y103-R562 VanDerWaalsContact CD1-NE 3.35Å; Y103-R562 HydrophobicContact CE1-CG 4.22Å; Y103-R562 VanDerWaalsContact CE1-NE 3.27Å; Y103-D563 PolarHBondContact OH-OD1 3.33Å
104	E	29.7	Very low	45.1	Very low	196 Å²	196	107.1 Å²	107.1	92%	0.916	57%	0.571	S	S	*	*			trans	-105.3	23.7	-170.8	-150.6	165.8	-165.5	0	0	113.5
105	A	31.4	Very low	47.9	Very low	64 Å²	64	102.9 Å²	102.9	53%	0.529	57%	0.567	S	S	.	*			trans	-101.9	22.3	163.9	0	0	0	0	0	112.2	Y107	A105-Y107 PolarHBondContact O-N 3.1Å
106	S	37.4	Very low	50.8	Low	59 Å²	59	99.3 Å²	99.3	41%	0.413	54%	0.544	S	S	.	.	S	Bend	trans	-73.3	117	164.3	-61.3	0	0	0	0	107.5	C108	S106-C108 PolarHBondContact O-N 3.22Å
107	Y	45.8	Very low	54.1	Low	95 Å²	95	91 Å²	91	37%	0.373	51%	0.506	S	S	.	.			trans	-48.9	109.7	171.1	-80.2	-88.1	0	0	0	109.1	A105 Y109 V863 R866	A105-Y107 PolarHBondContact O-N 3.1Å; Y107-Y109 PolarHBondContact O-N 2.96Å; Y107-V863 HydrophobicContact CE1-CG1 4.29Å; Y107-R866 PolarHBondContact OH-NH2 3.34Å
108	C	50.7	Low	57.2	Low	125 Å²	125	88.2 Å²	88.2	85%	0.845	48%	0.48	S	S	*	.			trans	-75.5	110.7	179.2	-152.8	0	0	0	0	107.1	S106	S106-C108 PolarHBondContact O-N 3.22Å
109	Y	69.4	Low	60.5	Low	46 Å²	46	79 Å²	79	18%	0.18	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-54.9	141.7	174.2	-67.8	-75.7	0	0	0	109.6	Y107 C111 Y383 Y435 T437 R439	Y107-Y109 PolarHBondContact O-N 2.96Å; Y109-C111 PolarHBondContact O-N 3.35Å; Y109-C111 VanDerWaalsContact O-N 3.14Å; Y109-Y383 AromaticContact CD1-CE1 3.88Å; Y109-Y383 HydrophobicContact CD1-CE1 3.88Å; Y109-Y383 AromaticContact CD1-CZ 3.8Å; Y109-Y383 VanDerWaalsContact CD1-OH 3.22Å; Y109-Y383 WeakPolarHBondContact CD1-OH 3.38Å; Y109-Y383 WeakPolarHBondContact CE1-OH 3.02Å; Y109-Y435 WeakPolarHBondContact CD2-O 3.33Å; Y109-T437 WeakPolarHBondContact CE2-O 3.37Å; Y109-R439 VanDerWaalsContact OH-CB 3.3Å; Y109-R439 WeakPolarHBondContact OH-CB 3.43Å; Y109-R439 WeakPolarHBondContact OH-CG 3.49Å
110	P	79.4	Confident	63.8	Low	41 Å²	41	72.3 Å²	72.3	27%	0.266	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-52.3	125.8	174.3	-25.3	33.7	0	0	0	110.6	Y112 A380 Y383 Y435	P110-Y112 PolarHBondContact O-N 3.45Å; P110-A380 HydrophobicContact CB-CB 3.4Å; P110-A380 VanDerWaalsContact CB-CB 3.4Å; P110-Y383 HydrophobicContact CG-CD1 4.21Å; P110-Y383 HydrophobicContact CG-CD2 3.82Å; P110-Y383 HydrophobicContact CG-CE2 4.33Å; P110-Y383 HydrophobicContact CG-CG 3.79Å; P110-Y435 WeakPolarHBondContact O-CE1 3.44Å; P110-Y435 PolarHBondContact O-OH 3.32Å
111	C	77.4	Confident	67.1	Low	115 Å²	115	66.9 Å²	66.9	78%	0.777	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-61.5	132.5	-174.3	-175.3	0	0	0	0	111	Y109	Y109-C111 PolarHBondContact O-N 3.35Å; Y109-C111 VanDerWaalsContact O-N 3.14Å
112	Y	85.1	Confident	70.3	Confident	13 Å²	13	61.7 Å²	61.7	5%	0.051	33%	0.334	C	S	.	.			trans	-123.6	139.2	173.2	179.9	-101.5	0	0	0	110.5	P110 F114 S116 I117 T370 F371 F384	P110-Y112 PolarHBondContact O-N 3.45Å; Y112-F114 HydrophobicContact CD1-CD1 4.04Å; Y112-F114 HydrophobicContact CD1-CD2 4.38Å; Y112-F114 HydrophobicContact CD1-CE1 4.01Å; Y112-F114 HydrophobicContact CD1-CE2 4.35Å; Y112-F114 HydrophobicContact CD1-CG 4.22Å; Y112-F114 HydrophobicContact CD1-CZ 4.17Å; Y112-F114 HydrophobicContact CE1-CD1 4.39Å; Y112-F114 WeakPolarHBondContact O-CD2 3.43Å; Y112-F114 WeakPolarHBondContact O-CE2 3.44Å; Y112-F114 PolarHBondContact O-N 3.44Å; Y112-S116 PolarHBondContact OH-OG 3.2Å; Y112-I117 HydrophobicContact CE1-CD1 4.18Å; Y112-I117 HydrophobicContact CE1-CG1 3.95Å; Y112-T370 WeakPolarHBondContact CE2-O 3.36Å; Y112-T370 PolarHBondContact OH-N 3.45Å; Y112-T370 PolarHBondContact OH-O 3.06Å; Y112-F371 HydrophobicContact CD2-CD1 4.45Å; Y112-F371 AromaticContact CE2-CD1 3.8Å; Y112-F371 HydrophobicContact CE2-CD1 3.8Å; Y112-F371 HydrophobicContact CE2-CE1 4.02Å; Y112-F384 AromaticContact CD1-CD1 3.95Å; Y112-F384 HydrophobicContact CD1-CD1 3.95Å; Y112-F384 HydrophobicContact CD1-CD2 4.48Å; Y112-F384 AromaticContact CD1-CE1 3.64Å; Y112-F384 HydrophobicContact CD1-CE1 3.64Å; Y112-F384 HydrophobicContact CD1-CE2 4.22Å; Y112-F384 HydrophobicContact CD1-CG 4.37Å; Y112-F384 AromaticContact CD1-CZ 3.8Å; Y112-F384 HydrophobicContact CD1-CZ 3.8Å; Y112-F384 HydrophobicContact CD2-CB 4.38Å; Y112-F384 AromaticContact CD2-CD1 3.69Å; Y112-F384 HydrophobicContact CD2-CD1 3.69Å; Y112-F384 HydrophobicContact CD2-CE1 4.17Å; Y112-F384 HydrophobicContact CD2-CG 4.07Å; Y112-F384 AromaticContact CE1-CD1 3.94Å; Y112-F384 HydrophobicContact CE1-CD1 3.94Å; Y112-F384 AromaticContact CE1-CE1 3.39Å; Y112-F384 HydrophobicContact CE1-CE1 3.39Å; Y112-F384 AromaticContact CE1-CZ 3.83Å; Y112-F384 HydrophobicContact CE1-CZ 3.83Å; Y112-F384 AromaticContact CE2-CD1 3.69Å; Y112-F384 HydrophobicContact CE2-CD1 3.69Å; Y112-F384 AromaticContact CE2-CE1 3.97Å; Y112-F384 HydrophobicContact CE2-CE1 3.97Å; Y112-F384 AromaticContact CG-CD1 3.82Å; Y112-F384 HydrophobicContact CG-CD1 3.82Å; Y112-F384 HydrophobicContact CG-CD2 4.33Å; Y112-F384 HydrophobicContact CG-CE1 4.02Å; Y112-F384 AromaticContact CG-CG 3.99Å; Y112-F384 HydrophobicContact CG-CG 3.99Å; Y112-F384 HydrophobicContact CG-CZ 4.38Å; Y112-F384 AromaticContact CZ-CD1 3.82Å; Y112-F384 AromaticContact CZ-CE1 3.57Å
113	S	87.3	Confident	73.2	Confident	50 Å²	50	59.9 Å²	59.9	35%	0.35	33%	0.325	S	S	.	.			trans	-85.5	93.9	179.4	-178.5	0	0	0	0	111.2	D115 S116	S113-D115 PolarHBondContact O-N 3.24Å; S113-S116 VanDerWaalsContact O-CB 3.28Å; S113-S116 WeakPolarHBondContact O-CB 3.35Å; S113-S116 PolarHBondContact O-N 3.38Å; S113-S116 PolarHBondContact O-OG 3.2Å
114	F	89.2	Confident	75.7	Confident	13 Å²	13	54 Å²	54	6%	0.057	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-62.4	-22.8	179.8	-67.1	-83.8	0	0	0	114.3	Y112 S116 I117 F384 V428 I431 R432 Y435 E436	Y112-F114 HydrophobicContact CD1-CD1 4.04Å; Y112-F114 HydrophobicContact CD1-CD2 4.38Å; Y112-F114 HydrophobicContact CD1-CE1 4.01Å; Y112-F114 HydrophobicContact CD1-CE2 4.35Å; Y112-F114 HydrophobicContact CD1-CG 4.22Å; Y112-F114 HydrophobicContact CD1-CZ 4.17Å; Y112-F114 HydrophobicContact CE1-CD1 4.39Å; Y112-F114 WeakPolarHBondContact O-CD2 3.43Å; Y112-F114 WeakPolarHBondContact O-CE2 3.44Å; Y112-F114 PolarHBondContact O-N 3.44Å; F114-S116 PolarHBondContact O-N 3.13Å; F114-S116 VanDerWaalsContact O-N 3.17Å; F114-I117 HydrophobicContact CD1-CD1 3.9Å; F114-I117 WeakPolarHBondContact O-CG1 3.31Å; F114-I117 PolarHBondContact O-N 3.28Å; F114-F384 HydrophobicContact CE1-CE2 4.13Å; F114-F384 HydrophobicContact CE1-CZ 4.15Å; F114-F384 HydrophobicContact CZ-CE2 4.39Å; F114-V428 HydrophobicContact CB-CG1 4.11Å; F114-I431 HydrophobicContact CE1-CG2 4.26Å; F114-R432 HydrophobicContact CD1-CB 3.81Å; F114-R432 HydrophobicContact CD1-CG 4.3Å; F114-R432 HydrophobicContact CD2-CB 4.27Å; F114-R432 HydrophobicContact CD2-CG 3.85Å; F114-R432 VanDerWaalsContact CE1-CA 3.47Å; F114-R432 HydrophobicContact CE1-CB 3.84Å; F114-R432 HydrophobicContact CE1-CG 4.27Å; F114-R432 HydrophobicContact CE2-CB 4.3Å; F114-R432 HydrophobicContact CE2-CG 3.82Å; F114-R432 HydrophobicContact CG-CB 4.05Å; F114-R432 HydrophobicContact CG-CG 4.11Å; F114-R432 HydrophobicContact CZ-CB 4.1Å; F114-R432 HydrophobicContact CZ-CG 4.04Å; F114-Y435 HydrophobicContact CE2-CD1 4.39Å; F114-Y435 AromaticContact CZ-CD1 3.76Å; F114-Y435 HydrophobicContact CZ-CD1 3.76Å; F114-Y435 HydrophobicContact CZ-CG 4.19Å; F114-E436 HydrophobicContact CE2-CG 4.02Å; F114-E436 WeakPolarHBondContact CE2-OE1 3.49Å; F114-E436 HydrophobicContact CZ-CG 4.29Å
115	D	85.3	Confident	78	Confident	159 Å²	159	45.8 Å²	45.8	85%	0.85	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-65.7	-14.9	173.9	-65	-25.2	0	0	0	113	S113 I117	S113-D115 PolarHBondContact O-N 3.24Å; D115-I117 VanDerWaalsContact C-N 3.34Å
116	S	87.6	Confident	79.8	Confident	36 Å²	36	47.7 Å²	47.7	25%	0.252	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-84.3	-8.6	178	74.9	0	0	0	0	113.8	Y112 S113 F114 T370	Y112-S116 PolarHBondContact OH-OG 3.2Å; S113-S116 VanDerWaalsContact O-CB 3.28Å; S113-S116 WeakPolarHBondContact O-CB 3.35Å; S113-S116 PolarHBondContact O-N 3.38Å; S113-S116 PolarHBondContact O-OG 3.2Å; F114-S116 PolarHBondContact O-N 3.13Å; F114-S116 VanDerWaalsContact O-N 3.17Å; S116-T370 PolarHBondContact O-OG1 2.68Å; S116-T370 VanDerWaalsContact O-OG1 3.12Å; S116-T370 PolarHBondContact OG-O 2.86Å
117	I	93	Very high	81.4	Confident	9 Å²	9	54 Å²	54	5%	0.046	28%	0.278	C	S	.	.			trans	-74.3	134.1	175.4	-44.4	176.3	0	0	0	108.1	Y112 F114 D115 V367 L368 F369 W424 V428	Y112-I117 HydrophobicContact CE1-CD1 4.18Å; Y112-I117 HydrophobicContact CE1-CG1 3.95Å; F114-I117 HydrophobicContact CD1-CD1 3.9Å; F114-I117 WeakPolarHBondContact O-CG1 3.31Å; F114-I117 PolarHBondContact O-N 3.28Å; D115-I117 VanDerWaalsContact C-N 3.34Å; I117-V367 HydrophobicContact CG2-CG1 3.89Å; I117-L368 CarbonylContact C-O 3.53Å; I117-L368 VanDerWaalsContact CA-O 3.32Å; I117-L368 WeakPolarHBondContact CA-O 3.32Å; I117-L368 VanDerWaalsContact CG2-O 3.3Å; I117-L368 WeakPolarHBondContact CG2-O 3.14Å; I117-F369 HydrophobicContact CD1-CD1 4.02Å; I117-F369 HydrophobicContact CD1-CE1 4.04Å; I117-F369 HydrophobicContact CG1-CD1 4.11Å; I117-F369 HydrophobicContact CG2-CD1 3.85Å; I117-F369 HydrophobicContact CG2-CE1 3.96Å; I117-F369 HydrophobicContact CG2-CG 4.46Å; I117-W424 HydrophobicContact CB-CH2 4.04Å; I117-W424 HydrophobicContact CB-CZ2 4.04Å; I117-W424 HydrophobicContact CG2-CH2 3.45Å; I117-W424 VanDerWaalsContact CG2-CH2 3.45Å; I117-W424 HydrophobicContact CG2-CZ2 3.96Å; I117-W424 WeakPolarHBondContact O-CZ2 3.47Å; I117-V428 HydrophobicContact CB-CG2 4.48Å; I117-V428 HydrophobicContact CD1-CG1 4.39Å
118	R	93	Very high	82.6	Confident	40 Å²	40	55.9 Å²	55.9	15%	0.151	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.4	-174.9	-179.9	-176.3	-178.9	179	8.1	111.8	V120 D135 S136 E137 V367 L368	R118-V120 HydrophobicContact CG-CG2 4.27Å; R118-D135 IonicContact CZ-OD1 3.42Å; R118-D135 IonicContact CZ-OD2 2.91Å; R118-D135 IonicContact NE-OD1 3.76Å; R118-D135 PolarHBondContact NE-OD1 3.14Å; R118-D135 IonicContact NE-OD2 3.28Å; R118-D135 VanDerWaalsContact NH2-CG 3.33Å; R118-D135 IonicContact NH2-OD1 3.97Å; R118-D135 PolarHBondContact NH2-OD1 3.36Å; R118-D135 IonicContact NH2-OD2 3.47Å; R118-D135 PolarHBondContact NH2-OD2 3.37Å; R118-S136 WeakPolarHBondContact CG-OG 2.99Å; R118-E137 WeakPolarHBondContact CD-OE2 3.08Å; R118-E137 HydrophobicContact CG-CB 4.29Å; R118-E137 IonicContact CZ-OE2 2.68Å; R118-E137 IonicContact NE-OE2 3.43Å; R118-E137 PolarHBondContact NE-OE2 3.48Å; R118-E137 IonicContact NH1-OE2 3.06Å; R118-E137 PolarHBondContact NH1-OE2 2.94Å; R118-E137 IonicContact NH2-OE2 3.35Å; R118-V367 CarbonylContact O-C 3.55Å; R118-V367 WeakPolarHBondContact O-CA 3.43Å; R118-L368 HydrophobicContact CB-CB 4.33Å; R118-L368 PolarHBondContact N-O 3.13Å; R118-L368 PolarHBondContact O-N 3.24Å
119	L	95	Very high	83.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.5	167.5	176.5	65.4	0	0	0	111.7	F134 S136 I365 V367 L402 V420 W424	L119-F134 HydrophobicContact CD2-CD1 4.14Å; L119-F134 HydrophobicContact CD2-CE1 4.24Å; L119-F134 HydrophobicContact CG-CD1 4.46Å; L119-S136 PolarHBondContact N-OG 3.46Å; L119-S136 PolarHBondContact O-N 3.15Å; L119-S136 PolarHBondContact O-OG 3.29Å; L119-I365 HydrophobicContact CD1-CG2 3.67Å; L119-V367 HydrophobicContact CD1-CG2 4.05Å; L119-L402 HydrophobicContact CD1-CD2 4.16Å; L119-L402 HydrophobicContact CD2-CD2 4.47Å; L119-V420 HydrophobicContact CD2-CG1 4.07Å; L119-W424 HydrophobicContact CB-CD2 3.53Å; L119-W424 HydrophobicContact CB-CE3 3.51Å; L119-W424 HydrophobicContact CB-CG 4.1Å; L119-W424 HydrophobicContact CB-CH2 4.12Å; L119-W424 HydrophobicContact CB-CZ2 4.19Å; L119-W424 HydrophobicContact CB-CZ3 3.8Å; L119-W424 HydrophobicContact CD1-CE3 4.44Å; L119-W424 HydrophobicContact CD2-CB 3.77Å; L119-W424 HydrophobicContact CD2-CD2 4.05Å; L119-W424 HydrophobicContact CD2-CE3 3.94Å; L119-W424 HydrophobicContact CD2-CG 4Å; L119-W424 HydrophobicContact CG-CD2 4.39Å; L119-W424 HydrophobicContact CG-CE3 4.16Å
120	V	93.8	Very high	84.6	Confident	1 Å²	1	57 Å²	57	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.6	166.4	-162.4	0	0	0	0	109.3	R118 F122 V132 L189 G366 L368	R118-V120 HydrophobicContact CG-CG2 4.27Å; V120-F122 HydrophobicContact CB-CE2 4.13Å; V120-F122 HydrophobicContact CG1-CD2 3.87Å; V120-F122 HydrophobicContact CG1-CE2 3.33Å; V120-F122 HydrophobicContact CG1-CZ 4.12Å; V120-V132 HydrophobicContact CG1-CG1 4.24Å; V120-L189 HydrophobicContact CG2-CD1 4.16Å; V120-G366 PolarHBondContact N-O 3.38Å; V120-G366 PolarHBondContact O-N 3.3Å; V120-L368 HydrophobicContact CG2-CD1 4.05Å
121	L	94.2	Very high	84.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.5	178.9	-178.9	64.2	0	0	0	110	L133 F134 I365 I406 F416	L121-L133 HydrophobicContact CB-CB 4.47Å; L121-L133 HydrophobicContact CD2-CB 4.08Å; L121-L133 HydrophobicContact CD2-CD1 4.2Å; L121-L133 HydrophobicContact CG-CB 4.11Å; L121-L133 HydrophobicContact CG-CD1 4.25Å; L121-L133 PolarHBondContact O-N 3.41Å; L121-F134 HydrophobicContact CB-CB 3.91Å; L121-F134 HydrophobicContact CD2-CB 4.36Å; L121-F134 PolarHBondContact N-O 2.67Å; L121-F134 PolarHBondContact O-N 2.73Å; L121-I365 HydrophobicContact CD1-CG1 3.84Å; L121-I406 HydrophobicContact CD1-CD1 4.41Å; L121-I406 HydrophobicContact CD1-CG2 4.4Å; L121-I406 HydrophobicContact CD2-CG2 3.93Å; L121-F416 HydrophobicContact CD2-CE1 4.42Å; L121-F416 HydrophobicContact CD2-CE2 4.47Å; L121-F416 HydrophobicContact CD2-CZ 3.63Å
122	F	91.4	Very high	85.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.6	178.7	-76.2	-99.4	0	0	0	112.1	V120 R130 R131 V132 V186 L189 I193 F194 L363 G364	V120-F122 HydrophobicContact CB-CE2 4.13Å; V120-F122 HydrophobicContact CG1-CD2 3.87Å; V120-F122 HydrophobicContact CG1-CE2 3.33Å; V120-F122 HydrophobicContact CG1-CZ 4.12Å; F122-R130 HydrophobicContact CD1-CB 4.29Å; F122-R131 CarbonylContact C-O 3.57Å; F122-R131 WeakPolarHBondContact CA-O 3.5Å; F122-V132 HydrophobicContact CD1-CG2 4.03Å; F122-V132 HydrophobicContact CE1-CG2 3.52Å; F122-V132 HydrophobicContact CE2-CG2 4.41Å; F122-V132 HydrophobicContact CZ-CG2 3.73Å; F122-V186 HydrophobicContact CE1-CG1 3.65Å; F122-V186 HydrophobicContact CZ-CG1 4.05Å; F122-V186 WeakPolarHBondContact CZ-O 3.42Å; F122-L189 HydrophobicContact CE2-CB 4.04Å; F122-L189 HydrophobicContact CZ-CB 4.03Å; F122-I193 HydrophobicContact CD2-CD1 3.64Å; F122-I193 HydrophobicContact CE2-CD1 3.9Å; F122-F194 HydrophobicContact CB-CE2 3.54Å; F122-F194 HydrophobicContact CB-CZ 3.95Å; F122-F194 HydrophobicContact CG-CE2 4.28Å; F122-L363 WeakPolarHBondContact O-CA 3.4Å; F122-G364 PolarHBondContact N-O 3.45Å; F122-G364 PolarHBondContact O-N 3.28Å
123	R	89.1	Confident	85.6	Confident	62 Å²	62	57 Å²	57	23%	0.234	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.6	164.9	-170.1	-178.2	87	163.3	9.8	109.2	R130 R131 L133 L361 Q362 L363 Y410	R123-R130 CarbonylContact O-C 3.6Å; R123-R130 WeakPolarHBondContact O-CA 3.33Å; R123-R131 PolarHBondContact N-O 2.96Å; R123-R131 PolarHBondContact O-N 2.97Å; R123-L133 HydrophobicContact CB-CD1 3.89Å; R123-L133 HydrophobicContact CB-CD2 4.1Å; R123-L133 HydrophobicContact CB-CG 3.94Å; R123-L361 HydrophobicContact CG-CD2 3.97Å; R123-Q362 WeakPolarHBondContact CA-O 3.36Å; R123-L363 HydrophobicContact CB-CD2 4.08Å; R123-L363 HydrophobicContact CG-CD2 4.07Å; R123-Y410 WeakPolarHBondContact CD-OH 3.43Å
124	E	85.3	Confident	85.8	Confident	9 Å²	9	55.1 Å²	55.1	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.2	167.1	-168.9	168.1	-127.4	0	0	108.5	R130 F194 Q362	E124-R130 HydrophobicContact CB-CG 4.42Å; E124-R130 HydrophobicContact CG-CG 4.21Å; E124-R130 IonicContact OE1-CZ 3.45Å; E124-R130 IonicContact OE1-NE 3.72Å; E124-R130 PolarHBondContact OE1-NE 3.23Å; E124-R130 IonicContact OE1-NH2 2.75Å; E124-R130 PolarHBondContact OE1-NH2 3.08Å; E124-F194 HydrophobicContact CB-CD1 3.99Å; E124-F194 HydrophobicContact CB-CE1 3.7Å; E124-F194 HydrophobicContact CB-CE2 4.25Å; E124-F194 HydrophobicContact CB-CG 4.39Å; E124-F194 HydrophobicContact CB-CZ 3.85Å; E124-F194 WeakPolarHBondContact OE2-CD1 3.48Å; E124-F194 WeakPolarHBondContact OE2-CG 3.31Å; E124-Q362 PolarHBondContact N-O 3.4Å; E124-Q362 PolarHBondContact O-N 2.74Å
125	N	78.1	Confident	85.8	Confident	25 Å²	25	55.1 Å²	55.1	13%	0.134	25%	0.248	C	C	.	.			trans	-95	175.6	172.4	68.5	5.4	0	0	0	111	Y127 R128 E129 L361	N125-Y127 PolarHBondContact O-N 3.16Å; N125-Y127 VanDerWaalsContact O-N 3.09Å; N125-Y127 PolarHBondContact OD1-N 3.37Å; N125-Y127 VanDerWaalsContact OD1-N 3.16Å; N125-R128 PolarHBondContact O-N 3.2Å; N125-R128 PolarHBondContact OD1-N 3.14Å; N125-E129 PolarHBondContact N-O 2.85Å; N125-E129 PolarHBondContact ND2-OE2 3.27Å; N125-E129 VanDerWaalsContact ND2-OE2 3.08Å; N125-E129 WeakPolarHBondContact OD1-CB 3.42Å; N125-E129 PolarHBondContact OD1-N 3.08Å; N125-L361 HydrophobicContact CB-CD2 4.1Å
126	E	68.7	Low	86.1	Confident	104 Å²	104	47.8 Å²	47.8	49%	0.486	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.5	179.1	-60.1	-172	158	0	0	113.7	R128 T359 R360	E126-R128 VanDerWaalsContact C-N 3.31Å; E126-T359 WeakPolarHBondContact OE1-CA 3.46Å; E126-R360 HydrophobicContact CG-CB 4.26Å; E126-R360 PolarHBondContact OE1-N 2.96Å
127	Y	70.8	Confident	86	Confident	190 Å²	190	49.7 Å²	49.7	75%	0.745	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	9.5	177.5	-54.5	-71.1	0	0	0	113.7	N125 E129	N125-Y127 PolarHBondContact O-N 3.16Å; N125-Y127 VanDerWaalsContact O-N 3.09Å; N125-Y127 PolarHBondContact OD1-N 3.37Å; N125-Y127 VanDerWaalsContact OD1-N 3.16Å; Y127-E129 PolarHBondContact O-N 2.63Å
128	R	71.5	Confident	85.4	Confident	135 Å²	135	50 Å²	50	51%	0.509	22%	0.218	S	C	.	.			trans	61.4	18.4	-176.4	-53.6	-177.1	177.3	-165.4	-5.2	114.7	N125 E126 R130 A198	N125-R128 PolarHBondContact O-N 3.2Å; N125-R128 PolarHBondContact OD1-N 3.14Å; E126-R128 VanDerWaalsContact C-N 3.31Å; R128-R130 PolarHBondContact O-N 3.33Å; R128-R130 VanDerWaalsContact O-N 3.12Å; R128-A198 HydrophobicContact CG-CB 3.95Å; R128-A198 VanDerWaalsContact CZ-CB 3.46Å
129	E	77.7	Confident	84.9	Confident	130 Å²	130	49.5 Å²	49.5	61%	0.607	22%	0.217	S	C	*	.			trans	-74.8	109.2	172.2	-61	-178.1	149.2	0	0	108.7	N125 Y127	N125-E129 PolarHBondContact N-O 2.85Å; N125-E129 PolarHBondContact ND2-OE2 3.27Å; N125-E129 VanDerWaalsContact ND2-OE2 3.08Å; N125-E129 WeakPolarHBondContact OD1-CB 3.42Å; N125-E129 PolarHBondContact OD1-N 3.08Å; Y127-E129 PolarHBondContact O-N 2.63Å
130	R	84.2	Confident	84	Confident	65 Å²	65	51.8 Å²	51.8	25%	0.245	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120	175.5	-66.6	175.4	-172.7	161.1	-1	109.1	F122 R123 E124 R128 G190 E191 F194 G195	F122-R130 HydrophobicContact CD1-CB 4.29Å; R123-R130 CarbonylContact O-C 3.6Å; R123-R130 WeakPolarHBondContact O-CA 3.33Å; E124-R130 HydrophobicContact CB-CG 4.42Å; E124-R130 HydrophobicContact CG-CG 4.21Å; E124-R130 IonicContact OE1-CZ 3.45Å; E124-R130 IonicContact OE1-NE 3.72Å; E124-R130 PolarHBondContact OE1-NE 3.23Å; E124-R130 IonicContact OE1-NH2 2.75Å; E124-R130 PolarHBondContact OE1-NH2 3.08Å; R128-R130 PolarHBondContact O-N 3.33Å; R128-R130 VanDerWaalsContact O-N 3.12Å; R130-G190 VanDerWaalsContact NH1-C 3.29Å; R130-G190 PolarHBondContact NH1-O 3.35Å; R130-E191 VanDerWaalsContact NH1-N 3.2Å; R130-F194 HydrophobicContact CG-CD2 4.35Å; R130-G195 PolarHBondContact NH2-O 3.14Å
131	R	85.7	Confident	83	Confident	92 Å²	92	58.5 Å²	58.5	35%	0.347	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.3	177.7	-176.1	177.6	169	-154.9	-9.7	110	F122 R123 L133 R177	F122-R131 CarbonylContact C-O 3.57Å; F122-R131 WeakPolarHBondContact CA-O 3.5Å; R123-R131 PolarHBondContact N-O 2.96Å; R123-R131 PolarHBondContact O-N 2.97Å; R131-L133 PolarHBondContact O-N 3.47Å; R131-R177 VanDerWaalsContact NH1-NH2 3.19Å
132	V	88.9	Confident	81.5	Confident	40 Å²	40	61.5 Å²	61.5	24%	0.242	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.5	168.2	-176.3	0	0	0	0	108.7	V120 F122 D135 L181 V186	V120-V132 HydrophobicContact CG1-CG1 4.24Å; F122-V132 HydrophobicContact CD1-CG2 4.03Å; F122-V132 HydrophobicContact CE1-CG2 3.52Å; F122-V132 HydrophobicContact CE2-CG2 4.41Å; F122-V132 HydrophobicContact CZ-CG2 3.73Å; V132-D135 HydrophobicContact CG1-CB 4.44Å; V132-L181 HydrophobicContact CG1-CD1 4.41Å; V132-V186 HydrophobicContact CG2-CG1 3.69Å; V132-V186 HydrophobicContact CG2-CG2 4.19Å
133	L	88.7	Confident	80.2	Confident	38 Å²	38	66.9 Å²	66.9	20%	0.199	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-35.5	174.6	-62.8	-176.6	0	0	0	111.7	L121 R123 R131 L363 Y410 F416	L121-L133 HydrophobicContact CB-CB 4.47Å; L121-L133 HydrophobicContact CD2-CB 4.08Å; L121-L133 HydrophobicContact CD2-CD1 4.2Å; L121-L133 HydrophobicContact CG-CB 4.11Å; L121-L133 HydrophobicContact CG-CD1 4.25Å; L121-L133 PolarHBondContact O-N 3.41Å; R123-L133 HydrophobicContact CB-CD1 3.89Å; R123-L133 HydrophobicContact CB-CD2 4.1Å; R123-L133 HydrophobicContact CB-CG 3.94Å; R131-L133 PolarHBondContact O-N 3.47Å; L133-L363 HydrophobicContact CD1-CD2 3.68Å; L133-Y410 HydrophobicContact CD1-CD2 4.43Å; L133-Y410 HydrophobicContact CD1-CE2 3.73Å; L133-F416 HydrophobicContact CB-CE1 4.2Å; L133-F416 HydrophobicContact CB-CZ 4.4Å; L133-F416 HydrophobicContact CD1-CZ 4.41Å
134	F	90.2	Very high	78.6	Confident	9 Å²	9	68.5 Å²	68.5	4%	0.039	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	141.9	-178.1	-172.1	-93.5	0	0	0	110.4	L119 L121 Y139 S417 V420 W421	L119-F134 HydrophobicContact CD2-CD1 4.14Å; L119-F134 HydrophobicContact CD2-CE1 4.24Å; L119-F134 HydrophobicContact CG-CD1 4.46Å; L121-F134 HydrophobicContact CB-CB 3.91Å; L121-F134 HydrophobicContact CD2-CB 4.36Å; L121-F134 PolarHBondContact N-O 2.67Å; L121-F134 PolarHBondContact O-N 2.73Å; F134-Y139 HydrophobicContact CE2-CD1 4.43Å; F134-Y139 AromaticContact CE2-CD2 3.83Å; F134-Y139 HydrophobicContact CE2-CD2 3.83Å; F134-Y139 HydrophobicContact CE2-CE2 4.33Å; F134-Y139 AromaticContact CE2-CG 3.9Å; F134-Y139 HydrophobicContact CE2-CG 3.9Å; F134-Y139 HydrophobicContact CZ-CD1 4.23Å; F134-Y139 HydrophobicContact CZ-CD2 4.38Å; F134-Y139 AromaticContact CZ-CG 3.98Å; F134-Y139 HydrophobicContact CZ-CG 3.98Å; F134-S417 WeakPolarHBondContact CE2-O 3.46Å; F134-V420 HydrophobicContact CB-CG1 4.18Å; F134-V420 HydrophobicContact CD1-CG1 3.65Å; F134-V420 HydrophobicContact CD2-CB 4.26Å; F134-V420 HydrophobicContact CD2-CG1 3.98Å; F134-V420 HydrophobicContact CE1-CG1 3.94Å; F134-V420 HydrophobicContact CE2-CB 4.41Å; F134-V420 HydrophobicContact CE2-CG1 4.26Å; F134-V420 HydrophobicContact CG-CB 4.42Å; F134-V420 HydrophobicContact CG-CG1 3.66Å; F134-V420 HydrophobicContact CZ-CG1 4.24Å; F134-W421 HydrophobicContact CE2-CB 4.48Å; F134-W421 HydrophobicContact CZ-CB 4.08Å; F134-W421 HydrophobicContact CZ-CE3 4.16Å
135	D	90.2	Very high	77.3	Confident	14 Å²	14	71.8 Å²	71.8	8%	0.075	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	116.6	169.2	174.8	18.6	0	0	0	108.2	R118 V132 E137 A138 Y139 L181	R118-D135 IonicContact CZ-OD1 3.42Å; R118-D135 IonicContact CZ-OD2 2.91Å; R118-D135 IonicContact NE-OD1 3.76Å; R118-D135 PolarHBondContact NE-OD1 3.14Å; R118-D135 IonicContact NE-OD2 3.28Å; R118-D135 VanDerWaalsContact NH2-CG 3.33Å; R118-D135 IonicContact NH2-OD1 3.97Å; R118-D135 PolarHBondContact NH2-OD1 3.36Å; R118-D135 IonicContact NH2-OD2 3.47Å; R118-D135 PolarHBondContact NH2-OD2 3.37Å; V132-D135 HydrophobicContact CG1-CB 4.44Å; D135-E137 VanDerWaalsContact C-N 3.3Å; D135-E137 PolarHBondContact O-N 3.26Å; D135-E137 PolarHBondContact OD1-N 3.15Å; D135-A138 HydrophobicContact CB-CB 4.09Å; D135-A138 PolarHBondContact O-N 3.3Å; D135-Y139 VanDerWaalsContact O-CB 3.3Å; D135-Y139 WeakPolarHBondContact O-CB 3.42Å; D135-Y139 PolarHBondContact O-N 3.34Å; D135-L181 HydrophobicContact CB-CD1 3.84Å; D135-L181 WeakPolarHBondContact OD2-CD1 3.3Å
136	S	90.8	Very high	76	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.028	36%	0.356	C	S	.	.	H	α-helix	trans	-58.3	-40.5	-178.3	52	0	0	0	0	112.4	R118 L119 Y139 C140	R118-S136 WeakPolarHBondContact CG-OG 2.99Å; L119-S136 PolarHBondContact N-OG 3.46Å; L119-S136 PolarHBondContact O-N 3.15Å; L119-S136 PolarHBondContact O-OG 3.29Å; S136-Y139 PolarHBondContact O-N 3.24Å; S136-C140 WeakPolarHBondContact O-CB 3.42Å; S136-C140 PolarHBondContact O-N 3.03Å; S136-C140 PolarHBondContact O-SG 3.11Å
137	E	84.8	Confident	75.1	Confident	76 Å²	76	75.4 Å²	75.4	36%	0.355	37%	0.368	S	S	.	.	H	α-helix	trans	-67.3	-44.5	-177.1	-166.8	-170.3	150.4	0	0	111.4	R118 D135 Y139 R141	R118-E137 WeakPolarHBondContact CD-OE2 3.08Å; R118-E137 HydrophobicContact CG-CB 4.29Å; R118-E137 IonicContact CZ-OE2 2.68Å; R118-E137 IonicContact NE-OE2 3.43Å; R118-E137 PolarHBondContact NE-OE2 3.48Å; R118-E137 IonicContact NH1-OE2 3.06Å; R118-E137 PolarHBondContact NH1-OE2 2.94Å; R118-E137 IonicContact NH2-OE2 3.35Å; D135-E137 VanDerWaalsContact C-N 3.3Å; D135-E137 PolarHBondContact O-N 3.26Å; D135-E137 PolarHBondContact OD1-N 3.15Å; E137-Y139 VanDerWaalsContact C-N 3.31Å; E137-Y139 PolarHBondContact O-N 3.42Å; E137-R141 PolarHBondContact O-N 2.86Å; E137-R141 IonicContact OE1-CZ 2.64Å; E137-R141 IonicContact OE1-NE 3Å; E137-R141 IonicContact OE1-NH2 2.66Å; E137-R141 PolarHBondContact OE1-NH2 3.21Å
138	A	81.7	Confident	73.9	Confident	17 Å²	17	70.9 Å²	70.9	14%	0.14	37%	0.365	C	S	.	.	H	α-helix	trans	-65.7	-35	174.7	0	0	0	0	0	112	D135	D135-A138 HydrophobicContact CB-CB 4.09Å; D135-A138 PolarHBondContact O-N 3.3Å
139	Y	82.2	Confident	72.4	Confident	29 Å²	29	69.1 Å²	69.1	11%	0.114	37%	0.373	C	S	.	.	H	α-helix	trans	-68.7	-45.6	177.6	-170.5	-95	0	0	0	111.9	F134 D135 S136 E137 R142 R143 W421	F134-Y139 HydrophobicContact CE2-CD1 4.43Å; F134-Y139 AromaticContact CE2-CD2 3.83Å; F134-Y139 HydrophobicContact CE2-CD2 3.83Å; F134-Y139 HydrophobicContact CE2-CE2 4.33Å; F134-Y139 AromaticContact CE2-CG 3.9Å; F134-Y139 HydrophobicContact CE2-CG 3.9Å; F134-Y139 HydrophobicContact CZ-CD1 4.23Å; F134-Y139 HydrophobicContact CZ-CD2 4.38Å; F134-Y139 AromaticContact CZ-CG 3.98Å; F134-Y139 HydrophobicContact CZ-CG 3.98Å; D135-Y139 VanDerWaalsContact O-CB 3.3Å; D135-Y139 WeakPolarHBondContact O-CB 3.42Å; D135-Y139 PolarHBondContact O-N 3.34Å; S136-Y139 PolarHBondContact O-N 3.24Å; E137-Y139 VanDerWaalsContact C-N 3.31Å; E137-Y139 PolarHBondContact O-N 3.42Å; Y139-R142 PolarHBondContact O-N 2.91Å; Y139-R143 PolarHBondContact O-N 3.24Å; Y139-R143 PolarHBondContact OH-NH2 3.44Å; Y139-W421 HydrophobicContact CD1-CB 4.29Å; Y139-W421 AromaticContact CD1-CD2 3.79Å; Y139-W421 HydrophobicContact CD1-CD2 3.79Å; Y139-W421 AromaticContact CD1-CE3 3.54Å; Y139-W421 HydrophobicContact CD1-CE3 3.54Å; Y139-W421 HydrophobicContact CD1-CG 4.12Å; Y139-W421 HydrophobicContact CD1-CZ3 4.25Å; Y139-W421 HydrophobicContact CE1-CB 3.79Å; Y139-W421 AromaticContact CE1-CD2 3.74Å; Y139-W421 HydrophobicContact CE1-CD2 3.74Å; Y139-W421 HydrophobicContact CE1-CE3 4.01Å; Y139-W421 AromaticContact CE1-CG 3.63Å; Y139-W421 HydrophobicContact CE1-CG 3.63Å
140	C	76.6	Confident	70.7	Confident	47 Å²	47	70.6 Å²	70.6	32%	0.318	39%	0.385	S	S	.	.	H	α-helix	trans	-60.3	-48.7	178.1	-72.2	0	0	0	0	113.7	S136 R142 R143 C144 W421	S136-C140 WeakPolarHBondContact O-CB 3.42Å; S136-C140 PolarHBondContact O-N 3.03Å; S136-C140 PolarHBondContact O-SG 3.11Å; C140-R142 PolarHBondContact O-N 3.46Å; C140-R142 VanDerWaalsContact O-N 3.17Å; C140-R143 PolarHBondContact O-N 2.93Å; C140-C144 PolarHBondContact O-N 3.38Å; C140-C144 PolarHBondContact O-SG 3.06Å; C140-C144 VanDerWaalsContact O-SG 3.36Å; C140-W421 WeakPolarHBondContact SG-CH2 3.47Å; C140-W421 WeakPolarHBondContact SG-CZ3 3.4Å
141	R	72.5	Confident	68.4	Low	143 Å²	143	73.6 Å²	73.6	54%	0.54	41%	0.411	S	S	.	.	H	α-helix	trans	-57.1	-33.8	-178.8	-82.7	-169.4	-102.9	175.6	-7.7	112.1	E137 S145	E137-R141 PolarHBondContact O-N 2.86Å; E137-R141 IonicContact OE1-CZ 2.64Å; E137-R141 IonicContact OE1-NE 3Å; E137-R141 IonicContact OE1-NH2 2.66Å; E137-R141 PolarHBondContact OE1-NH2 3.21Å; R141-S145 PolarHBondContact O-N 3.41Å; R141-S145 PolarHBondContact O-OG 3.45Å
142	R	61.5	Low	66	Low	63 Å²	63	78.8 Å²	78.8	24%	0.238	44%	0.435	C	S	.	.	H	α-helix	trans	-76.1	-42	-177.7	-147.7	-178	-71.3	155.3	-0.5	112.5	Y139 C140 C144 S145 E146	Y139-R142 PolarHBondContact O-N 2.91Å; C140-R142 PolarHBondContact O-N 3.46Å; C140-R142 VanDerWaalsContact O-N 3.17Å; R142-C144 VanDerWaalsContact C-N 3.27Å; R142-C144 PolarHBondContact O-N 3.4Å; R142-S145 WeakPolarHBondContact O-CB 3.26Å; R142-S145 PolarHBondContact O-N 3.01Å; R142-E146 PolarHBondContact O-N 3.29Å; R142-E146 VanDerWaalsContact O-N 3.11Å
143	R	64	Low	63.3	Low	112 Å²	112	82.4 Å²	82.4	42%	0.423	46%	0.463	S	S	.	.	H	α-helix	trans	-58	-39.4	172.2	-84.8	-162.9	-172	157.3	5	112.5	Y139 C140 S145 E146	Y139-R143 PolarHBondContact O-N 3.24Å; Y139-R143 PolarHBondContact OH-NH2 3.44Å; C140-R143 PolarHBondContact O-N 2.93Å; R143-S145 VanDerWaalsContact C-N 3.27Å; R143-S145 PolarHBondContact O-N 3.25Å; R143-E146 PolarHBondContact O-N 3.42Å
144	C	55.9	Low	60.7	Low	97 Å²	97	91.7 Å²	91.7	66%	0.655	50%	0.495	S	S	*	.	H	α-helix	trans	-67.4	-29.8	177	-61	0	0	0	0	112.5	C140 R142	C140-C144 PolarHBondContact O-N 3.38Å; C140-C144 PolarHBondContact O-SG 3.06Å; C140-C144 VanDerWaalsContact O-SG 3.36Å; R142-C144 VanDerWaalsContact C-N 3.27Å; R142-C144 PolarHBondContact O-N 3.4Å
145	S	57.8	Low	57.9	Low	78 Å²	78	97.7 Å²	97.7	55%	0.545	53%	0.533	S	S	.	.	H	α-helix	trans	-76.4	-32.3	179.4	-58.3	0	0	0	0	112.6	R141 R142 R143 G147 S148	R141-S145 PolarHBondContact O-N 3.41Å; R141-S145 PolarHBondContact O-OG 3.45Å; R142-S145 WeakPolarHBondContact O-CB 3.26Å; R142-S145 PolarHBondContact O-N 3.01Å; R143-S145 VanDerWaalsContact C-N 3.27Å; R143-S145 PolarHBondContact O-N 3.25Å; S145-G147 VanDerWaalsContact C-N 3.31Å; S145-G147 PolarHBondContact O-N 3.09Å; S145-S148 PolarHBondContact O-N 3.18Å
146	E	52.2	Low	55.2	Low	132 Å²	132	101.8 Å²	101.8	62%	0.617	56%	0.563	S	S	*	*	H	α-helix	trans	-68.7	-28.3	176.8	-75.3	172.4	177.8	0	0	112.7	R142 R143	R142-E146 PolarHBondContact O-N 3.29Å; R142-E146 VanDerWaalsContact O-N 3.11Å; R143-E146 PolarHBondContact O-N 3.42Å
147	G	48.7	Very low	52.5	Low	73 Å²	73	107.3 Å²	107.3	75%	0.753	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-12.8	175.8	0	0	0	0	0	115.6	S145	S145-G147 VanDerWaalsContact C-N 3.31Å; S145-G147 PolarHBondContact O-N 3.09Å
148	S	45.3	Very low	50	Low	95 Å²	95	109.5 Å²	109.5	66%	0.664	62%	0.617	S	S	*	*	S	Bend	trans	-103.2	-1.3	-170.3	-157.7	0	0	0	0	114.3	S145 N150	S145-S148 PolarHBondContact O-N 3.18Å; S148-N150 PolarHBondContact O-N 3.05Å
149	S	41.6	Very low	47.8	Very low	97 Å²	97	117.4 Å²	117.4	68%	0.678	65%	0.65	S	S	*	*			trans	-92.9	23.5	-172.3	63.1	0	0	0	0	115.9
150	N	41.8	Very low	45.2	Very low	161 Å²	161	121.1 Å²	121.1	86%	0.861	68%	0.681	S	S	*	*			trans	-112.1	34.3	-179.7	-118.2	13.3	0	0	0	115.3	S148	S148-N150 PolarHBondContact O-N 3.05Å
151	T	34.8	Very low	43	Very low	129 Å²	129	123.4 Å²	123.4	79%	0.791	70%	0.703	S	S	*	*			trans	-135.9	61.9	168.7	53.6	0	0	0	0	112.3
152	K	36.1	Very low	41.1	Very low	200 Å²	200	122.4 Å²	122.4	87%	0.87	72%	0.715	S	S	*	*			trans	-131.3	104.3	154.9	-79.1	-170.1	178.6	176.3	0	110.5	R154	K152-R154 PolarHBondContact O-N 2.78Å
153	S	31	Very low	39.4	Very low	117 Å²	117	130.3 Å²	130.3	82%	0.818	75%	0.746	S	S	*	*			trans	-21.1	116.6	158.3	54.2	0	0	0	0	114.9
154	R	35.1	Very low	37.6	Very low	232 Å²	232	136.3 Å²	136.3	88%	0.875	77%	0.769	S	S	*	*			trans	-142.6	110.1	140.2	-99.9	179.2	75.8	174.5	2.2	108.9	K152 S156	K152-R154 PolarHBondContact O-N 2.78Å; R154-S156 PolarHBondContact O-N 3.41Å
155	T	31.2	Very low	36.4	Very low	135 Å²	135	140 Å²	140	83%	0.828	78%	0.777	S	S	*	*			trans	-60.7	120	165.5	45	0	0	0	0	110.2
156	S	32.9	Very low	35	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	79%	0.793	S	S	*	*			trans	-161.3	134.7	152.2	-61	0	0	0	0	108.8	R154	R154-S156 PolarHBondContact O-N 3.41Å
157	P	34.9	Very low	34	Very low	120 Å²	120	148.8 Å²	148.8	78%	0.779	80%	0.799	S	S	*	*			trans	-94.6	149.3	-171.2	9.1	11.6	0	0	0	113.5
158	V	32	Very low	33.1	Very low	121 Å²	121	150.6 Å²	150.6	73%	0.733	79%	0.791	S	S	*	*			trans	57.8	107.5	146.6	-171.7	0	0	0	0	118.1
159	H	35.1	Very low	32.3	Very low	183 Å²	183	152.4 Å²	152.4	85%	0.847	79%	0.794	S	S	*	*				-162.7	140.6	113.7	-102.8	-66.3	0	0	0	112.3
160	S	29	Very low	32.1	Very low	108 Å²	108	153 Å²	153	76%	0.755	79%	0.793	S	S	*	*			trans	-71.4	134.6	-173.9	42.9	0	0	0	0	115.8
161	A	29.7	Very low	31.6	Very low	95 Å²	95	153.2 Å²	153.2	79%	0.785	79%	0.789	S	S	*	*			trans	-164.6	154.9	150.9	0	0	0	0	0	110.7
162	P	32.9	Very low	31.6	Very low	122 Å²	122	148.9 Å²	148.9	79%	0.792	76%	0.764	S	S	*	*			trans	-95.5	156.3	-140.5	35.8	-34.3	0	0	0	115.7	R164	P162-R164 PolarHBondContact O-N 2.8Å
163	Y	24.9	Very low	31.5	Very low	228 Å²	228	142 Å²	142	89%	0.894	74%	0.736	S	S	*	*			trans	-10.6	91.6	160.2	-140.9	-102.5	0	0	0	115.2
164	R	27.5	Very low	31.9	Very low	239 Å²	239	143.9 Å²	143.9	90%	0.902	74%	0.737	S	S	*	*			trans	-97.2	112	155.6	-102.9	-170.8	-177.4	176	2	108.1	P162 R166	P162-R164 PolarHBondContact O-N 2.8Å; R164-R166 PolarHBondContact O-N 3.23Å
165	Q	29	Very low	32.2	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	73%	0.731	S	S	*	*			trans	-47.2	103.9	167.4	-153.2	162.7	1.3	0	0	108.4	Q167	Q165-Q167 VanDerWaalsContact C-N 3.3Å; Q165-Q167 PolarHBondContact O-N 3.38Å
166	R	29.7	Very low	33	Very low	233 Å²	233	139.4 Å²	139.4	88%	0.879	71%	0.707	S	S	*	*			trans	-67.4	93.3	170.3	-95.3	-173.3	171	-172.2	-2.4	106.8	R164 N168	R164-R166 PolarHBondContact O-N 3.23Å; R166-N168 PolarHBondContact O-N 2.96Å
167	Q	30.1	Very low	33.3	Very low	162 Å²	162	142.8 Å²	142.8	76%	0.757	70%	0.704	S	S	*	*			trans	-57.5	125.5	150.4	-84.7	174.5	-24.1	0	0	106.6	Q165 N169	Q165-Q167 VanDerWaalsContact C-N 3.3Å; Q165-Q167 PolarHBondContact O-N 3.38Å; Q167-N169 PolarHBondContact O-N 3Å
168	N	31.3	Very low	33.7	Very low	110 Å²	110	145.8 Å²	145.8	59%	0.588	71%	0.705	S	S	*	*			trans	-64.3	64.3	173.6	-79.9	-24.1	0	0	0	110.6	D72 R166 V170	D72-N168 PolarHBondContact OD1-ND2 3.47Å; D72-N168 VanDerWaalsContact OD1-ND2 3.09Å; R166-N168 PolarHBondContact O-N 2.96Å; N168-V170 VanDerWaalsContact C-N 3.29Å; N168-V170 PolarHBondContact O-N 3.38Å
169	N	27.2	Very low	34.5	Very low	134 Å²	134	146 Å²	146	72%	0.717	70%	0.698	S	S	*	*			trans	-81.8	84.4	161	-76.7	-16.6	0	0	0	106.4	Q167 E171	Q167-N169 PolarHBondContact O-N 3Å; N169-E171 PolarHBondContact O-N 2.96Å
170	V	36.9	Very low	35.4	Very low	109 Å²	109	142.9 Å²	142.9	66%	0.661	69%	0.694	S	S	*	*			trans	-65.1	91.1	159.6	179.1	0	0	0	0	105.5	N168 C172	N168-V170 VanDerWaalsContact C-N 3.29Å; N168-V170 PolarHBondContact O-N 3.38Å; V170-C172 PolarHBondContact O-N 2.9Å; V170-C172 VanDerWaalsContact O-N 3.09Å
171	E	31.6	Very low	36.8	Very low	165 Å²	165	138.7 Å²	138.7	77%	0.771	66%	0.663	S	S	*	*			trans	-50.2	115.4	174.8	-169.1	168.6	-166.4	0	0	108.1	N169 D173	N169-E171 PolarHBondContact O-N 2.96Å; E171-D173 PolarHBondContact O-N 3.43Å
172	C	36	Very low	38.7	Very low	39 Å²	39	138.9 Å²	138.9	26%	0.264	65%	0.651	S	S	.	*			trans	-72.1	81.5	179.4	-130.5	0	0	0	0	108.4	V170 D174 K414	V170-C172 PolarHBondContact O-N 2.9Å; V170-C172 VanDerWaalsContact O-N 3.09Å; C172-D174 PolarHBondContact O-N 3.15Å; C172-K414 HydrophobicContact CB-CB 4.42Å; C172-K414 WeakPolarHBondContact CB-O 3.33Å; C172-K414 VanDerWaalsContact SG-C 3.59Å; C172-K414 PolarHBondContact SG-O 3.05Å
173	D	32.4	Very low	40.6	Very low	55 Å²	55	140 Å²	140	29%	0.294	65%	0.646	S	S	.	*			trans	-75.1	120.4	-177.4	-161.2	-34.1	0	0	0	110.7	E171 R175 F176	E171-D173 PolarHBondContact O-N 3.43Å; D173-R175 HydrophobicContact CB-CB 4.42Å; D173-R175 VanDerWaalsContact CG-NE 3.26Å; D173-R175 PolarHBondContact O-N 3.47Å; D173-R175 VanDerWaalsContact OD1-CG 3.28Å; D173-R175 WeakPolarHBondContact OD1-CG 3.09Å; D173-R175 PolarHBondContact OD1-N 3.48Å; D173-R175 IonicContact OD1-NE 3.42Å; D173-R175 PolarHBondContact OD1-NE 2.94Å; D173-R175 IonicContact OD2-CZ 3.39Å; D173-R175 IonicContact OD2-NE 2.88Å; D173-R175 PolarHBondContact OD2-NE 3.36Å; D173-R175 IonicContact OD2-NH2 3.63Å; D173-R175 PolarHBondContact OD2-NH2 3.23Å; D173-F176 WeakPolarHBondContact O-CD2 3.36Å; D173-F176 WeakPolarHBondContact O-CE2 3.35Å; D173-F176 PolarHBondContact O-N 2.9Å; D173-F176 VanDerWaalsContact O-N 3.12Å
174	D	40.9	Very low	43.2	Very low	157 Å²	157	134.7 Å²	134.7	84%	0.84	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-53.2	-3.1	174.9	-105.3	-31.1	0	0	0	114.1	C172 F176	C172-D174 PolarHBondContact O-N 3.15Å; D174-F176 PolarHBondContact O-N 2.86Å
175	R	41.1	Very low	45.9	Very low	198 Å²	198	125.7 Å²	125.7	75%	0.747	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-62.2	-3.7	163.6	-72.4	-171.1	-77.5	-178.9	-0.5	115.6	D173 R177	D173-R175 HydrophobicContact CB-CB 4.42Å; D173-R175 VanDerWaalsContact CG-NE 3.26Å; D173-R175 PolarHBondContact O-N 3.47Å; D173-R175 VanDerWaalsContact OD1-CG 3.28Å; D173-R175 WeakPolarHBondContact OD1-CG 3.09Å; D173-R175 PolarHBondContact OD1-N 3.48Å; D173-R175 IonicContact OD1-NE 3.42Å; D173-R175 PolarHBondContact OD1-NE 2.94Å; D173-R175 IonicContact OD2-CZ 3.39Å; D173-R175 IonicContact OD2-NE 2.88Å; D173-R175 PolarHBondContact OD2-NE 3.36Å; D173-R175 IonicContact OD2-NH2 3.63Å; D173-R175 PolarHBondContact OD2-NH2 3.23Å; R175-R177 PolarHBondContact O-N 3.42Å
176	F	47.4	Very low	48.3	Very low	74 Å²	74	118.7 Å²	118.7	33%	0.325	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-61	-7.8	175.6	-71.9	-73.8	0	0	0	116	D173 D174 K178	D173-F176 WeakPolarHBondContact O-CD2 3.36Å; D173-F176 WeakPolarHBondContact O-CE2 3.35Å; D173-F176 PolarHBondContact O-N 2.9Å; D173-F176 VanDerWaalsContact O-N 3.12Å; D174-F176 PolarHBondContact O-N 2.86Å; F176-K178 PolarHBondContact O-N 3.21Å
177	R	39.2	Very low	51	Low	172 Å²	172	113.2 Å²	113.2	65%	0.649	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-89.3	8.1	-164.1	-146.4	173.5	174.2	162.4	-4	117.7	R131 R175	R131-R177 VanDerWaalsContact NH1-NH2 3.19Å; R175-R177 PolarHBondContact O-N 3.42Å
178	K	43.4	Very low	53.8	Low	184 Å²	184	109.7 Å²	109.7	80%	0.8	54%	0.542	S	S	*	.			trans	-145.5	57.8	-167.4	-65.2	-173.8	-180	179.1	0	117.5	F176	F176-K178 PolarHBondContact O-N 3.21Å
179	Q	49.3	Very low	56.6	Low	124 Å²	124	104.7 Å²	104.7	58%	0.579	52%	0.515	S	S	*	.			trans	-131.6	94.6	140.2	-98.7	-178.9	-5.6	0	0	105.7	L181	Q179-L181 PolarHBondContact O-N 3.11Å
180	P	52.8	Low	59.5	Low	118 Å²	118	98.3 Å²	98.3	77%	0.766	48%	0.481	S	S	*	.			trans	-67.5	135.1	-176.6	31.1	-32.1	0	0	0	106.8
181	L	58.8	Low	62	Low	20 Å²	20	96.4 Å²	96.4	11%	0.105	47%	0.465	C	S	.	.			trans	-41.3	144.7	146.8	-82.6	97.8	0	0	0	107.8	V132 D135 Q179 H183 T185 V186 L189	V132-L181 HydrophobicContact CG1-CD1 4.41Å; D135-L181 HydrophobicContact CB-CD1 3.84Å; D135-L181 WeakPolarHBondContact OD2-CD1 3.3Å; Q179-L181 PolarHBondContact O-N 3.11Å; L181-H183 PolarHBondContact O-N 2.92Å; L181-T185 HydrophobicContact CD2-CG2 3.81Å; L181-V186 HydrophobicContact CB-CG2 3.3Å; L181-V186 HydrophobicContact CD1-CG2 4.41Å; L181-V186 HydrophobicContact CD2-CG2 4.35Å; L181-V186 HydrophobicContact CG-CG2 4.25Å; L181-L189 HydrophobicContact CD2-CD1 4.03Å
182	D	69.8	Low	64.8	Low	100 Å²	100	90.3 Å²	90.3	54%	0.535	44%	0.437	S	S	.	.			trans	-46.2	133.7	171.3	173.2	42.6	0	0	0	110.2	D184 T185 V186	D182-D184 PolarHBondContact O-N 2.91Å; D182-D184 VanDerWaalsContact O-N 3.13Å; D182-T185 WeakPolarHBondContact O-CA 3.28Å; D182-T185 WeakPolarHBondContact O-CB 3.28Å; D182-T185 PolarHBondContact O-N 3.31Å; D182-V186 PolarHBondContact O-N 3.16Å
183	H	72.2	Confident	67.4	Low	146 Å²	146	88.5 Å²	88.5	68%	0.676	43%	0.425	S	S	*	.	H	α-helix	trans	-59.9	-32.5	-167.7	-167	-54.4	0	0	0	110.7	L181 K187	L181-H183 PolarHBondContact O-N 2.92Å; H183-K187 WeakPolarHBondContact O-CB 3.49Å; H183-K187 PolarHBondContact O-N 3.46Å
184	D	80.9	Confident	70.1	Confident	115 Å²	115	86.2 Å²	86.2	62%	0.615	41%	0.412	S	S	*	.	H	α-helix	trans	-69.3	-38.7	176.3	-66.6	-20	0	0	0	111.5	D182 K187 L188	D182-D184 PolarHBondContact O-N 2.91Å; D182-D184 VanDerWaalsContact O-N 3.13Å; D184-K187 PolarHBondContact O-N 2.89Å; D184-L188 VanDerWaalsContact O-CB 3.29Å; D184-L188 WeakPolarHBondContact O-CB 3.48Å; D184-L188 PolarHBondContact O-N 3.34Å
185	T	83.3	Confident	72.3	Confident	51 Å²	51	79.6 Å²	79.6	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-43	175.6	-54.8	0	0	0	0	111.6	L181 D182 K187 L188 L189	L181-T185 HydrophobicContact CD2-CG2 3.81Å; D182-T185 WeakPolarHBondContact O-CA 3.28Å; D182-T185 WeakPolarHBondContact O-CB 3.28Å; D182-T185 PolarHBondContact O-N 3.31Å; T185-K187 VanDerWaalsContact C-N 3.31Å; T185-K187 PolarHBondContact O-N 3.16Å; T185-L188 PolarHBondContact O-N 3.24Å; T185-L189 HydrophobicContact CG2-CD1 4.03Å; T185-L189 HydrophobicContact CG2-CG 4.35Å; T185-L189 WeakPolarHBondContact O-CB 3.32Å; T185-L189 WeakPolarHBondContact O-CG 3.41Å; T185-L189 PolarHBondContact O-N 3.23Å
186	V	80.8	Confident	74.4	Confident	27 Å²	27	75.2 Å²	75.2	16%	0.164	38%	0.376	C	S	.	.	H	α-helix	trans	-59.1	-46.3	175	178	0	0	0	0	110.7	F122 V132 L181 D182 G190	F122-V186 HydrophobicContact CE1-CG1 3.65Å; F122-V186 HydrophobicContact CZ-CG1 4.05Å; F122-V186 WeakPolarHBondContact CZ-O 3.42Å; V132-V186 HydrophobicContact CG2-CG1 3.69Å; V132-V186 HydrophobicContact CG2-CG2 4.19Å; L181-V186 HydrophobicContact CB-CG2 3.3Å; L181-V186 HydrophobicContact CD1-CG2 4.41Å; L181-V186 HydrophobicContact CD2-CG2 4.35Å; L181-V186 HydrophobicContact CG-CG2 4.25Å; D182-V186 PolarHBondContact O-N 3.16Å; V186-G190 PolarHBondContact O-N 3.28Å
187	K	85.3	Confident	75.7	Confident	117 Å²	117	77.4 Å²	77.4	51%	0.509	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-48.4	-179.1	-173.9	179.2	176.4	-173.1	0	110.8	H183 D184 T185 G190 E191	H183-K187 WeakPolarHBondContact O-CB 3.49Å; H183-K187 PolarHBondContact O-N 3.46Å; D184-K187 PolarHBondContact O-N 2.89Å; T185-K187 VanDerWaalsContact C-N 3.31Å; T185-K187 PolarHBondContact O-N 3.16Å; K187-G190 PolarHBondContact O-N 3.14Å; K187-E191 WeakPolarHBondContact CE-OE1 3.42Å; K187-E191 WeakPolarHBondContact O-CB 3.27Å; K187-E191 WeakPolarHBondContact O-CG 3.37Å; K187-E191 PolarHBondContact O-N 3.08Å
188	L	88.9	Confident	77.1	Confident	89 Å²	89	70.8 Å²	70.8	47%	0.466	37%	0.373	S	S	.	.	H	α-helix	trans	-57.4	-53	177.3	177.6	65	0	0	0	111.5	D184 T185 G190 E191 M192	D184-L188 VanDerWaalsContact O-CB 3.29Å; D184-L188 WeakPolarHBondContact O-CB 3.48Å; D184-L188 PolarHBondContact O-N 3.34Å; T185-L188 PolarHBondContact O-N 3.24Å; L188-G190 VanDerWaalsContact C-N 3.33Å; L188-G190 PolarHBondContact O-N 3.05Å; L188-E191 PolarHBondContact O-N 3.33Å; L188-M192 HydrophobicContact CD1-CG 4.33Å; L188-M192 HydrophobicContact CD1-SD 4.18Å; L188-M192 HydrophobicContact CG-SD 4.12Å; L188-M192 VanDerWaalsContact O-CG 3.3Å; L188-M192 WeakPolarHBondContact O-CG 3.48Å; L188-M192 PolarHBondContact O-N 2.73Å
189	L	90.1	Very high	78.2	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-41.4	-179.5	-68	177.3	0	0	0	111.7	V120 F122 L181 T185 E191 M192 I193 M218 L368	V120-L189 HydrophobicContact CG2-CD1 4.16Å; F122-L189 HydrophobicContact CE2-CB 4.04Å; F122-L189 HydrophobicContact CZ-CB 4.03Å; L181-L189 HydrophobicContact CD2-CD1 4.03Å; T185-L189 HydrophobicContact CG2-CD1 4.03Å; T185-L189 HydrophobicContact CG2-CG 4.35Å; T185-L189 WeakPolarHBondContact O-CB 3.32Å; T185-L189 WeakPolarHBondContact O-CG 3.41Å; T185-L189 PolarHBondContact O-N 3.23Å; L189-E191 VanDerWaalsContact C-N 3.35Å; L189-E191 PolarHBondContact O-N 3.36Å; L189-M192 PolarHBondContact O-N 3.36Å; L189-I193 WeakPolarHBondContact O-CB 3.3Å; L189-I193 VanDerWaalsContact O-CG1 3.25Å; L189-I193 WeakPolarHBondContact O-CG1 3.28Å; L189-I193 PolarHBondContact O-N 3.34Å; L189-M218 HydrophobicContact CD2-SD 3.76Å; L189-L368 HydrophobicContact CD2-CD2 4.13Å
190	G	88.8	Confident	79	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.9	-42.2	174.4	0	0	0	0	0	112.6	R130 V186 K187 L188 F194	R130-G190 VanDerWaalsContact NH1-C 3.29Å; R130-G190 PolarHBondContact NH1-O 3.35Å; V186-G190 PolarHBondContact O-N 3.28Å; K187-G190 PolarHBondContact O-N 3.14Å; L188-G190 VanDerWaalsContact C-N 3.33Å; L188-G190 PolarHBondContact O-N 3.05Å; G190-F194 WeakPolarHBondContact O-CD2 3.44Å; G190-F194 PolarHBondContact O-N 2.96Å
191	E	89.5	Confident	79.5	Confident	69 Å²	69	60.4 Å²	60.4	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-67	-36.1	175.6	-75.1	178	-170.3	0	0	112.9	R130 K187 L188 L189 G195	R130-E191 VanDerWaalsContact NH1-N 3.2Å; K187-E191 WeakPolarHBondContact CE-OE1 3.42Å; K187-E191 WeakPolarHBondContact O-CB 3.27Å; K187-E191 WeakPolarHBondContact O-CG 3.37Å; K187-E191 PolarHBondContact O-N 3.08Å; L188-E191 PolarHBondContact O-N 3.33Å; L189-E191 VanDerWaalsContact C-N 3.35Å; L189-E191 PolarHBondContact O-N 3.36Å; E191-G195 CarbonylContact O-C 3.26Å; E191-G195 VanDerWaalsContact O-C 3.26Å; E191-G195 WeakPolarHBondContact O-CA 3.43Å; E191-G195 PolarHBondContact O-N 3.22Å
192	M	90.3	Very high	79.9	Confident	37 Å²	37	64.9 Å²	64.9	18%	0.182	34%	0.343	C	S	.	.	H	α-helix	trans	-69	-45.1	175.2	-69	-179.2	72.1	0	0	111.8	L188 L189 H209 F211 M218	L188-M192 HydrophobicContact CD1-CG 4.33Å; L188-M192 HydrophobicContact CD1-SD 4.18Å; L188-M192 HydrophobicContact CG-SD 4.12Å; L188-M192 VanDerWaalsContact O-CG 3.3Å; L188-M192 WeakPolarHBondContact O-CG 3.48Å; L188-M192 PolarHBondContact O-N 2.73Å; L189-M192 PolarHBondContact O-N 3.36Å; M192-H209 HydrophobicContact CE-CB 3.48Å; M192-H209 VanDerWaalsContact CE-CB 3.48Å; M192-H209 WeakPolarHBondContact CE-ND1 3.45Å; M192-H209 PolarHBondContact O-CE1 3.3Å; M192-H209 PolarHBondContact O-NE2 3.44Å; M192-F211 HydrophobicContact CE-CD1 4.43Å; M192-F211 HydrophobicContact CE-CE1 3.55Å; M192-F211 HydrophobicContact CE-CE2 4.02Å; M192-F211 HydrophobicContact CE-CZ 3.31Å; M192-F211 HydrophobicContact SD-CE1 3.52Å; M192-F211 VanDerWaalsContact SD-CE1 3.52Å; M192-F211 HydrophobicContact SD-CZ 3.54Å; M192-F211 VanDerWaalsContact SD-CZ 3.54Å; M192-M218 HydrophobicContact CB-CE 3.52Å; M192-M218 HydrophobicContact CE-CE 3.73Å; M192-M218 HydrophobicContact CG-CE 4.4Å; M192-M218 HydrophobicContact SD-CE 4.08Å
193	I	91.1	Very high	80	Confident	1 Å²	1	63 Å²	63	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-65.3	-60.1	-179.7	-67	165.8	0	0	0	110	F122 L189 K207 M218 I222	F122-I193 HydrophobicContact CD2-CD1 3.64Å; F122-I193 HydrophobicContact CE2-CD1 3.9Å; L189-I193 WeakPolarHBondContact O-CB 3.3Å; L189-I193 VanDerWaalsContact O-CG1 3.25Å; L189-I193 WeakPolarHBondContact O-CG1 3.28Å; L189-I193 PolarHBondContact O-N 3.34Å; I193-K207 PolarHBondContact O-NZ 3.49Å; I193-M218 HydrophobicContact CG1-CE 4.35Å; I193-I222 HydrophobicContact CG2-CG1 4.08Å; I193-I222 WeakPolarHBondContact O-CD1 3.29Å
194	F	89.1	Confident	80.4	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-84.5	-19.7	-173.3	-64.1	-81.5	0	0	0	114.1	F122 E124 R130 G190 I222 Q362	F122-F194 HydrophobicContact CB-CE2 3.54Å; F122-F194 HydrophobicContact CB-CZ 3.95Å; F122-F194 HydrophobicContact CG-CE2 4.28Å; E124-F194 HydrophobicContact CB-CD1 3.99Å; E124-F194 HydrophobicContact CB-CE1 3.7Å; E124-F194 HydrophobicContact CB-CE2 4.25Å; E124-F194 HydrophobicContact CB-CG 4.39Å; E124-F194 HydrophobicContact CB-CZ 3.85Å; E124-F194 WeakPolarHBondContact OE2-CD1 3.48Å; E124-F194 WeakPolarHBondContact OE2-CG 3.31Å; R130-F194 HydrophobicContact CG-CD2 4.35Å; G190-F194 WeakPolarHBondContact O-CD2 3.44Å; G190-F194 PolarHBondContact O-N 2.96Å; F194-I222 HydrophobicContact CD1-CD1 4.34Å; F194-I222 HydrophobicContact CD1-CG2 3.93Å; F194-I222 HydrophobicContact CE1-CG2 3.75Å; F194-Q362 HydrophobicContact CE1-CB 4.08Å
195	G	86.8	Confident	80.6	Confident	19 Å²	19	54.2 Å²	54.2	20%	0.196	30%	0.295	C	S	.	.			trans	89.4	165.3	-166.9	0	0	0	0	0	111.9	R130 E191	R130-G195 PolarHBondContact NH2-O 3.14Å; E191-G195 CarbonylContact O-C 3.26Å; E191-G195 VanDerWaalsContact O-C 3.26Å; E191-G195 WeakPolarHBondContact O-CA 3.43Å; E191-G195 PolarHBondContact O-N 3.22Å
196	T	84.1	Confident	80.8	Confident	105 Å²	105	54.1 Å²	54.1	64%	0.644	29%	0.294	S	S	*	.	S	Bend	trans	-75.1	-28.8	177	50	0	0	0	0	112.5
197	I	76.2	Confident	81.3	Confident	121 Å²	121	55.5 Å²	55.5	62%	0.621	30%	0.298	S	S	*	.	S	Bend	trans	-106.3	122.6	178.9	-57.3	175.1	0	0	0	108.1	M199	I197-M199 PolarHBondContact O-N 3.11Å
198	A	67.5	Low	81.7	Confident	33 Å²	33	53.4 Å²	53.4	27%	0.273	30%	0.295	S	S	.	.			trans	-62.4	126.3	176.6	0	0	0	0	0	110.1	R128	R128-A198 HydrophobicContact CG-CB 3.95Å; R128-A198 VanDerWaalsContact CZ-CB 3.46Å
199	M	66.6	Low	81.8	Confident	115 Å²	115	51 Å²	51	57%	0.567	28%	0.281	S	S	*	.			trans	-111.3	144.6	173.6	-58.6	-161	-47.8	0	0	108.7	I197 V201 Q362	I197-M199 PolarHBondContact O-N 3.11Å; M199-V201 VanDerWaalsContact C-N 3.34Å; M199-V201 PolarHBondContact O-N 2.78Å; M199-Q362 PolarHBondContact O-NE2 3.17Å; M199-Q362 VanDerWaalsContact O-NE2 3.1Å
200	T	66.2	Low	81.8	Confident	80 Å²	80	54.7 Å²	54.7	49%	0.491	30%	0.298	S	S	.	.			trans	-74.1	96.7	166.9	-54.1	0	0	0	0	107.8	K202	T200-K202 HydrophobicContact CG2-CG 4Å; T200-K202 PolarHBondContact O-N 3.04Å
201	V	63.5	Low	81.8	Confident	13 Å²	13	56.7 Å²	56.7	8%	0.079	31%	0.307	C	S	.	.			trans	-76.8	102.3	174.7	-177.6	0	0	0	0	107.3	M199 V203 T205 I222	M199-V201 VanDerWaalsContact C-N 3.34Å; M199-V201 PolarHBondContact O-N 2.78Å; V201-V203 WeakPolarHBondContact CG1-O 3.19Å; V201-T205 HydrophobicContact CG1-CG2 4.22Å; V201-I222 HydrophobicContact CB-CG2 4.43Å; V201-I222 HydrophobicContact CG1-CB 4.4Å; V201-I222 HydrophobicContact CG1-CG2 4.2Å; V201-I222 HydrophobicContact CG2-CD1 4.44Å; V201-I222 HydrophobicContact CG2-CG2 4.19Å
202	K	66.7	Low	81.6	Confident	113 Å²	113	64.3 Å²	64.3	49%	0.491	33%	0.333	S	S	.	.			trans	-93	-12.6	174.7	-66.4	-172.9	176.4	-177.3	0	113	T200 N332	T200-K202 HydrophobicContact CG2-CG 4Å; T200-K202 PolarHBondContact O-N 3.04Å; K202-N332 PolarHBondContact NZ-OD1 3.4Å
203	V	72	Confident	81.1	Confident	62 Å²	62	67.8 Å²	67.8	38%	0.376	36%	0.361	S	S	.	.	S	Bend	trans	-135.5	148	-174.1	-175.8	0	0	0	0	107.4	V201 T205 C274	V201-V203 WeakPolarHBondContact CG1-O 3.19Å; V203-T205 PolarHBondContact O-N 3.31Å; V203-C274 HydrophobicContact CG1-CB 4.5Å
204	D	80.5	Confident	80.6	Confident	32 Å²	32	69.3 Å²	69.3	17%	0.171	37%	0.371	C	S	.	.			trans	-57.4	136.1	175.7	-63	-1.2	0	0	0	110.4	I222 F223 Q403	D204-I222 CarbonylContact C-O 3.54Å; D204-I222 VanDerWaalsContact CA-O 3.28Å; D204-I222 WeakPolarHBondContact CA-O 3.07Å; D204-F223 WeakPolarHBondContact OD1-CB 3.23Å; D204-Q403 PolarHBondContact OD2-NE2 2.93Å
205	T	85.2	Confident	80.2	Confident	43 Å²	43	70.2 Å²	70.2	26%	0.264	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.4	178.3	57.4	0	0	0	0	110.3	V201 V203 K221 I222	V201-T205 HydrophobicContact CG1-CG2 4.22Å; V203-T205 PolarHBondContact O-N 3.31Å; T205-K221 CarbonylContact O-C 3.54Å; T205-K221 VanDerWaalsContact O-CA 3.28Å; T205-K221 WeakPolarHBondContact O-CA 3.44Å; T205-I222 PolarHBondContact N-O 2.95Å; T205-I222 PolarHBondContact O-N 3.06Å; T205-I222 WeakPolarHBondContact OG1-CB 3.49Å; T205-I222 WeakPolarHBondContact OG1-CD1 3.41Å
206	T	88.4	Confident	80.2	Confident	49 Å²	49	69.7 Å²	69.7	30%	0.301	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.3	173.9	-50.7	0	0	0	0	109.1	L219 S220 E396 L399	T206-L219 HydrophobicContact CG2-CD1 3.57Å; T206-L219 HydrophobicContact CG2-CG 4.39Å; T206-S220 CarbonylContact C-O 3.54Å; T206-S220 VanDerWaalsContact CA-O 3.27Å; T206-S220 WeakPolarHBondContact CA-O 3.26Å; T206-E396 PolarHBondContact OG1-OE1 3.06Å; T206-L399 HydrophobicContact CG2-CD2 4.22Å
207	K	91.5	Very high	80.6	Confident	56 Å²	56	65 Å²	65	24%	0.243	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.9	178	-54.9	173.9	-176.1	170	0	110.1	I193 L219 S220	I193-K207 PolarHBondContact O-NZ 3.49Å; K207-L219 WeakPolarHBondContact O-CA 3.19Å; K207-S220 PolarHBondContact N-O 3.07Å; K207-S220 PolarHBondContact O-N 2.81Å
208	V	92.2	Very high	81.4	Confident	74 Å²	74	59.2 Å²	59.2	45%	0.448	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.3	172.9	-175.3	0	0	0	0	108.9	L217 M218 L219 M392	V208-L217 HydrophobicContact CG1-CD1 3.77Å; V208-L217 HydrophobicContact CG1-CD2 4.29Å; V208-L217 HydrophobicContact CG1-CG 4.06Å; V208-M218 CarbonylContact C-O 3.5Å; V208-M218 WeakPolarHBondContact CA-O 3.24Å; V208-L219 HydrophobicContact CG2-CD1 3.85Å; V208-M392 HydrophobicContact CG2-CE 3.95Å
209	H	92.2	Very high	82.7	Confident	37 Å²	37	57.8 Å²	57.8	17%	0.171	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.1	177	-54.1	-98.8	0	0	0	109.4	M192 L217 M218 S220	M192-H209 HydrophobicContact CE-CB 3.48Å; M192-H209 VanDerWaalsContact CE-CB 3.48Å; M192-H209 WeakPolarHBondContact CE-ND1 3.45Å; M192-H209 PolarHBondContact O-CE1 3.3Å; M192-H209 PolarHBondContact O-NE2 3.44Å; H209-L217 CarbonylContact O-C 3.46Å; H209-L217 WeakPolarHBondContact O-CA 3.19Å; H209-M218 HydrophobicContact CB-CB 4.27Å; H209-M218 HydrophobicContact CB-CE 4.29Å; H209-M218 PolarHBondContact N-O 3.31Å; H209-M218 PolarHBondContact O-N 3.46Å; H209-S220 PolarHBondContact CD2-OG 3.13Å; H209-S220 PolarHBondContact NE2-OG 3.26Å; H209-S220 VanDerWaalsContact NE2-OG 3.07Å
210	H	90.4	Very high	84	Confident	84 Å²	84	52.3 Å²	52.3	39%	0.389	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.1	174.9	169.2	-135.8	0	0	0	109.4	R212 R385	H210-R212 PolarHBondContact O-N 2.65Å; H210-R385 PolarHBondContact CD2-NH1 2.95Å; H210-R385 PolarHBondContact CD2-NH2 2.83Å; H210-R385 VanDerWaalsContact CD2-NH2 3.26Å; H210-R385 PolarHBondContact CE1-NH1 2.78Å; H210-R385 VanDerWaalsContact CE1-NH1 3.35Å; H210-R385 PolarHBondContact CE1-NH2 2.95Å; H210-R385 VanDerWaalsContact CE1-NH2 3.3Å; H210-R385 PolarHBondContact ND1-NH2 2.77Å; H210-R385 VanDerWaalsContact ND1-NH2 3.11Å; H210-R385 PolarHBondContact NE2-NH1 2.83Å; H210-R385 PolarHBondContact NE2-NH2 3.04Å
211	F	88.6	Confident	85.3	Confident	42 Å²	42	48.7 Å²	48.7	18%	0.184	26%	0.255	C	S	.	.			trans	-88.4	103.8	178	-64.2	-92.2	0	0	0	109.6	M192 S213 S214 G215 S216 M218	M192-F211 HydrophobicContact CE-CD1 4.43Å; M192-F211 HydrophobicContact CE-CE1 3.55Å; M192-F211 HydrophobicContact CE-CE2 4.02Å; M192-F211 HydrophobicContact CE-CZ 3.31Å; M192-F211 HydrophobicContact SD-CE1 3.52Å; M192-F211 VanDerWaalsContact SD-CE1 3.52Å; M192-F211 HydrophobicContact SD-CZ 3.54Å; M192-F211 VanDerWaalsContact SD-CZ 3.54Å; F211-S213 VanDerWaalsContact C-N 3.28Å; F211-S213 PolarHBondContact O-N 2.82Å; F211-S214 WeakPolarHBondContact CB-OG 3.38Å; F211-S214 PolarHBondContact O-N 3.46Å; F211-G215 CarbonylContact O-C 3.36Å; F211-G215 VanDerWaalsContact O-CA 3.27Å; F211-G215 WeakPolarHBondContact O-CA 3.25Å; F211-G215 PolarHBondContact O-N 3.01Å; F211-S216 WeakPolarHBondContact CD2-O 3.5Å; F211-S216 PolarHBondContact N-O 2.7Å; F211-M218 HydrophobicContact CE2-CB 3.66Å; F211-M218 HydrophobicContact CZ-CB 4.39Å; F211-M218 HydrophobicContact CZ-CE 4.49Å; F211-M218 HydrophobicContact CZ-SD 4.4Å
212	R	84.5	Confident	86.6	Confident	229 Å²	229	48.1 Å²	48.1	86%	0.864	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-35	-177.9	-70.4	-171.9	177.6	108.8	-2.2	113.8	H210	H210-R212 PolarHBondContact O-N 2.65Å
213	S	79.7	Confident	87.6	Confident	110 Å²	110	42.7 Å²	42.7	77%	0.769	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-36.1	-176	50.5	0	0	0	0	113.4	F211	F211-S213 VanDerWaalsContact C-N 3.28Å; F211-S213 PolarHBondContact O-N 2.82Å
214	S	80.9	Confident	88.1	Confident	32 Å²	32	42.2 Å²	42.2	22%	0.224	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-9.5	-179	64.8	0	0	0	0	113.8	F211 S216	F211-S214 WeakPolarHBondContact CB-OG 3.38Å; F211-S214 PolarHBondContact O-N 3.46Å; S214-S216 WeakPolarHBondContact CB-OG 3.45Å; S214-S216 PolarHBondContact O-N 2.93Å; S214-S216 VanDerWaalsContact O-N 3.16Å; S214-S216 VanDerWaalsContact OG-CB 3.24Å; S214-S216 WeakPolarHBondContact OG-CB 3.32Å; S214-S216 PolarHBondContact OG-N 3.23Å; S214-S216 PolarHBondContact OG-OG 2.86Å
215	G	80.4	Confident	87.9	Confident	25 Å²	25	41 Å²	41	26%	0.258	22%	0.22	S	C	.	.			trans	71.8	-8.4	-168.7	0	0	0	0	0	114.1	F211 F371	F211-G215 CarbonylContact O-C 3.36Å; F211-G215 VanDerWaalsContact O-CA 3.27Å; F211-G215 WeakPolarHBondContact O-CA 3.25Å; F211-G215 PolarHBondContact O-N 3.01Å; G215-F371 WeakPolarHBondContact O-CD2 3.24Å; G215-F371 VanDerWaalsContact O-CE2 3.24Å; G215-F371 WeakPolarHBondContact O-CE2 3.25Å
216	S	87.4	Confident	86.9	Confident	9 Å²	9	42 Å²	42	6%	0.063	22%	0.223	C	C	.	.			trans	-58.8	149.8	-175.1	-52.9	0	0	0	0	112.8	F211 S214 F369	F211-S216 WeakPolarHBondContact CD2-O 3.5Å; F211-S216 PolarHBondContact N-O 2.7Å; S214-S216 WeakPolarHBondContact CB-OG 3.45Å; S214-S216 PolarHBondContact O-N 2.93Å; S214-S216 VanDerWaalsContact O-N 3.16Å; S214-S216 VanDerWaalsContact OG-CB 3.24Å; S214-S216 WeakPolarHBondContact OG-CB 3.32Å; S214-S216 PolarHBondContact OG-N 3.23Å; S214-S216 PolarHBondContact OG-OG 2.86Å; S216-F369 VanDerWaalsContact CA-O 3.31Å; S216-F369 WeakPolarHBondContact CA-O 3.49Å; S216-F369 WeakPolarHBondContact CB-O 3.25Å
217	L	92.6	Very high	85.3	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.7	171.4	-163	86.6	0	0	0	108.6	V208 H209 L368 F369 F371 L388	V208-L217 HydrophobicContact CG1-CD1 3.77Å; V208-L217 HydrophobicContact CG1-CD2 4.29Å; V208-L217 HydrophobicContact CG1-CG 4.06Å; H209-L217 CarbonylContact O-C 3.46Å; H209-L217 WeakPolarHBondContact O-CA 3.19Å; L217-L368 CarbonylContact O-C 3.58Å; L217-L368 WeakPolarHBondContact O-CA 3.29Å; L217-F369 HydrophobicContact CB-CB 4.23Å; L217-F369 HydrophobicContact CB-CD2 4.26Å; L217-F369 HydrophobicContact CD2-CD2 4.15Å; L217-F369 PolarHBondContact N-O 3.09Å; L217-F369 PolarHBondContact O-N 2.9Å; L217-F371 HydrophobicContact CB-CE2 4.31Å; L217-L388 HydrophobicContact CD2-CD1 4.38Å
218	M	93.4	Very high	83.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.8	168.7	176.1	177.7	84	0	0	111.3	L189 M192 I193 V208 H209 F211 S220 V367 L368	L189-M218 HydrophobicContact CD2-SD 3.76Å; M192-M218 HydrophobicContact CB-CE 3.52Å; M192-M218 HydrophobicContact CE-CE 3.73Å; M192-M218 HydrophobicContact CG-CE 4.4Å; M192-M218 HydrophobicContact SD-CE 4.08Å; I193-M218 HydrophobicContact CG1-CE 4.35Å; V208-M218 CarbonylContact C-O 3.5Å; V208-M218 WeakPolarHBondContact CA-O 3.24Å; H209-M218 HydrophobicContact CB-CB 4.27Å; H209-M218 HydrophobicContact CB-CE 4.29Å; H209-M218 PolarHBondContact N-O 3.31Å; H209-M218 PolarHBondContact O-N 3.46Å; F211-M218 HydrophobicContact CE2-CB 3.66Å; F211-M218 HydrophobicContact CZ-CB 4.39Å; F211-M218 HydrophobicContact CZ-CE 4.49Å; F211-M218 HydrophobicContact CZ-SD 4.4Å; M218-S220 WeakPolarHBondContact CE-OG 3.28Å; M218-V367 CarbonylContact C-O 3.48Å; M218-V367 VanDerWaalsContact CA-O 3.25Å; M218-V367 WeakPolarHBondContact CA-O 3.44Å; M218-L368 HydrophobicContact CB-CG 4.17Å; M218-L368 HydrophobicContact CG-CD1 4.26Å; M218-L368 HydrophobicContact CG-CG 4.04Å; M218-L368 HydrophobicContact SD-CD1 3.98Å; M218-L368 HydrophobicContact SD-CG 4Å
219	L	94.7	Very high	80.5	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.3	172.7	-173	62.2	0	0	0	108.4	T206 K207 V208 G366 V367 F369 M392 V395 L399	T206-L219 HydrophobicContact CG2-CD1 3.57Å; T206-L219 HydrophobicContact CG2-CG 4.39Å; K207-L219 WeakPolarHBondContact O-CA 3.19Å; V208-L219 HydrophobicContact CG2-CD1 3.85Å; L219-G366 WeakPolarHBondContact O-CA 3.36Å; L219-V367 HydrophobicContact CB-CB 4.42Å; L219-V367 PolarHBondContact N-O 3.38Å; L219-V367 PolarHBondContact O-N 3.37Å; L219-F369 HydrophobicContact CB-CE2 4.39Å; L219-M392 HydrophobicContact CD1-SD 4.39Å; L219-V395 HydrophobicContact CD2-CG1 3.74Å; L219-L399 HydrophobicContact CD1-CD2 4.37Å; L219-L399 HydrophobicContact CD2-CD2 3.57Å; L219-L399 HydrophobicContact CD2-CG 4.44Å; L219-L399 HydrophobicContact CG-CD2 3.65Å
220	S	94.1	Very high	77.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.8	-180	-50.6	0	0	0	0	109.8	T206 K207 H209 M218 I365	T206-S220 CarbonylContact C-O 3.54Å; T206-S220 VanDerWaalsContact CA-O 3.27Å; T206-S220 WeakPolarHBondContact CA-O 3.26Å; K207-S220 PolarHBondContact N-O 3.07Å; K207-S220 PolarHBondContact O-N 2.81Å; H209-S220 PolarHBondContact CD2-OG 3.13Å; H209-S220 PolarHBondContact NE2-OG 3.26Å; H209-S220 VanDerWaalsContact NE2-OG 3.07Å; M218-S220 WeakPolarHBondContact CE-OG 3.28Å; S220-I365 CarbonylContact C-O 3.59Å; S220-I365 VanDerWaalsContact CA-O 3.22Å; S220-I365 WeakPolarHBondContact CA-O 3.33Å
221	K	92.5	Very high	74.9	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.017	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.2	172.5	-169.7	158.7	-160.6	154	0	111.7	T205 F223 G364 I365 L399 N400 Q403	T205-K221 CarbonylContact O-C 3.54Å; T205-K221 VanDerWaalsContact O-CA 3.28Å; T205-K221 WeakPolarHBondContact O-CA 3.44Å; K221-F223 HydrophobicContact CG-CD1 4.27Å; K221-G364 CarbonylContact O-C 3.45Å; K221-G364 WeakPolarHBondContact O-CA 3.5Å; K221-I365 HydrophobicContact CB-CB 4.37Å; K221-I365 PolarHBondContact N-O 3.39Å; K221-I365 PolarHBondContact O-N 3.5Å; K221-L399 HydrophobicContact CB-CD2 3.82Å; K221-L399 HydrophobicContact CB-CG 4.26Å; K221-L399 HydrophobicContact CD-CD2 3.79Å; K221-L399 HydrophobicContact CD-CG 3.89Å; K221-L399 HydrophobicContact CG-CD2 4.42Å; K221-N400 PolarHBondContact NZ-OD1 3.34Å; K221-Q403 VanDerWaalsContact CD-OE1 3.22Å
222	I	90.9	Very high	72.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.8	177.2	-38.9	169.4	0	0	0	108.9	I193 F194 V201 D204 T205 Q362 L363	I193-I222 HydrophobicContact CG2-CG1 4.08Å; I193-I222 WeakPolarHBondContact O-CD1 3.29Å; F194-I222 HydrophobicContact CD1-CD1 4.34Å; F194-I222 HydrophobicContact CD1-CG2 3.93Å; F194-I222 HydrophobicContact CE1-CG2 3.75Å; V201-I222 HydrophobicContact CB-CG2 4.43Å; V201-I222 HydrophobicContact CG1-CB 4.4Å; V201-I222 HydrophobicContact CG1-CG2 4.2Å; V201-I222 HydrophobicContact CG2-CD1 4.44Å; V201-I222 HydrophobicContact CG2-CG2 4.19Å; D204-I222 CarbonylContact C-O 3.54Å; D204-I222 VanDerWaalsContact CA-O 3.28Å; D204-I222 WeakPolarHBondContact CA-O 3.07Å; T205-I222 PolarHBondContact N-O 2.95Å; T205-I222 PolarHBondContact O-N 3.06Å; T205-I222 WeakPolarHBondContact OG1-CB 3.49Å; T205-I222 WeakPolarHBondContact OG1-CD1 3.41Å; I222-Q362 HydrophobicContact CG2-CB 4.33Å; I222-L363 VanDerWaalsContact CA-O 3.31Å; I222-L363 WeakPolarHBondContact CA-O 3.3Å; I222-L363 WeakPolarHBondContact CG2-O 3.45Å
223	F	87.6	Confident	69.8	Low	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.2	177.7	48.2	-82.5	0	0	0	110.6	D204 K221 L363 I365 Q403 L407	D204-F223 WeakPolarHBondContact OD1-CB 3.23Å; K221-F223 HydrophobicContact CG-CD1 4.27Å; F223-L363 HydrophobicContact CD2-CB 4.05Å; F223-L363 HydrophobicContact CE1-CB 4.28Å; F223-L363 HydrophobicContact CE2-CB 3.53Å; F223-L363 HydrophobicContact CE2-CD1 3.72Å; F223-L363 HydrophobicContact CE2-CG 4.22Å; F223-L363 HydrophobicContact CZ-CB 3.65Å; F223-L363 HydrophobicContact CZ-CD1 4.28Å; F223-L363 PolarHBondContact N-O 3.17Å; F223-L363 PolarHBondContact O-N 3.01Å; F223-I365 HydrophobicContact CE1-CD1 3.5Å; F223-I365 HydrophobicContact CE1-CG1 3.76Å; F223-I365 HydrophobicContact CZ-CD1 3.88Å; F223-I365 HydrophobicContact CZ-CG1 4.15Å; F223-Q403 HydrophobicContact CD1-CG 3.84Å; F223-Q403 HydrophobicContact CD2-CG 4Å; F223-Q403 HydrophobicContact CE1-CB 4.22Å; F223-Q403 HydrophobicContact CE1-CG 3.8Å; F223-Q403 HydrophobicContact CE2-CG 3.92Å; F223-Q403 HydrophobicContact CG-CG 3.96Å; F223-Q403 HydrophobicContact CZ-CB 4.38Å; F223-Q403 HydrophobicContact CZ-CG 3.84Å; F223-L407 HydrophobicContact CD2-CD1 4.07Å; F223-L407 HydrophobicContact CD2-CD2 3.99Å; F223-L407 HydrophobicContact CD2-CG 4.17Å; F223-L407 HydrophobicContact CE2-CD1 4.13Å; F223-L407 HydrophobicContact CE2-CD2 3.7Å; F223-L407 HydrophobicContact CE2-CG 3.77Å
224	P	82.6	Confident	67.5	Low	51 Å²	51	50.1 Å²	50.1	33%	0.331	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	141.9	175	29.1	-32.8	0	0	0	110.4
225	C	76.5	Confident	65	Low	6 Å²	6	52 Å²	52	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	113	172.2	-177.8	0	0	0	0	108	Q227 L361 L363 L407	C225-Q227 PolarHBondContact O-N 3.27Å; C225-L361 PolarHBondContact N-O 3.29Å; C225-L363 HydrophobicContact CB-CD1 3.88Å; C225-L363 HydrophobicContact CB-CG 3.93Å; C225-L407 HydrophobicContact CB-CD2 4.48Å
226	I	64.2	Low	62.5	Low	64 Å²	64	58.1 Å²	58.1	33%	0.328	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	112.3	176.5	-64.1	172.9	0	0	0	107.8	P228 L358	I226-P228 WeakPolarHBondContact O-CD 3.46Å; I226-L358 HydrophobicContact CD1-CD1 4.39Å; I226-L358 HydrophobicContact CG1-CD1 4.42Å; I226-L358 HydrophobicContact CG2-CD1 3.48Å; I226-L358 VanDerWaalsContact CG2-CD1 3.48Å; I226-L358 HydrophobicContact CG2-CD2 3.72Å; I226-L358 HydrophobicContact CG2-CG 4.11Å
227	Q	54.1	Low	60	Low	75 Å²	75	61.2 Å²	61.2	35%	0.35	36%	0.364	S	S	.	.			trans	-89.8	116.8	168	-166.6	170.2	0.6	0	0	107.9	C225 E229 L358 L361	C225-Q227 PolarHBondContact O-N 3.27Å; Q227-E229 PolarHBondContact O-N 3.49Å; Q227-L358 WeakPolarHBondContact O-CD2 3.25Å; Q227-L361 HydrophobicContact CB-CD1 3.73Å; Q227-L361 HydrophobicContact CG-CD1 4.47Å
228	P	46.6	Very low	57.4	Low	46 Å²	46	66.6 Å²	66.6	30%	0.299	39%	0.393	S	S	.	.			trans	-65.7	107.3	171.3	23.6	-28.9	0	0	0	108.3	I226 F230 F268	I226-P228 WeakPolarHBondContact O-CD 3.46Å; P228-F230 HydrophobicContact CB-CE2 4.14Å; P228-F230 HydrophobicContact CG-CE2 4.35Å; P228-F230 PolarHBondContact O-N 3.26Å; P228-F230 VanDerWaalsContact O-N 3.09Å; P228-F268 HydrophobicContact CG-CE1 4.38Å
229	E	37.8	Very low	54.5	Low	97 Å²	97	71.5 Å²	71.5	45%	0.453	42%	0.417	S	S	.	.			trans	-74.1	97.1	169.8	-72.4	-160.9	170	0	0	108.9	Q227 T231 T359	Q227-E229 PolarHBondContact O-N 3.49Å; E229-T231 PolarHBondContact O-N 2.8Å; E229-T359 WeakPolarHBondContact OE1-CB 3.49Å; E229-T359 WeakPolarHBondContact OE1-CG2 3.14Å; E229-T359 PolarHBondContact OE1-OG1 2.76Å
230	F	36.2	Very low	51.8	Low	100 Å²	100	77.7 Å²	77.7	44%	0.439	45%	0.45	S	S	.	.			trans	-68.4	105.2	162.1	-74.2	-70	0	0	0	108.2	P228 K232 M239 I243	P228-F230 HydrophobicContact CB-CE2 4.14Å; P228-F230 HydrophobicContact CG-CE2 4.35Å; P228-F230 PolarHBondContact O-N 3.26Å; P228-F230 VanDerWaalsContact O-N 3.09Å; F230-K232 PolarHBondContact O-N 3.25Å; F230-M239 HydrophobicContact CD1-CE 4.4Å; F230-M239 HydrophobicContact CD1-SD 3.77Å; F230-M239 HydrophobicContact CE1-CE 3.28Å; F230-M239 HydrophobicContact CE1-CG 3.98Å; F230-M239 HydrophobicContact CE1-SD 3.17Å; F230-M239 WeakPolarHBondContact CE1-SD 3.37Å; F230-M239 HydrophobicContact CZ-CE 3.6Å; F230-M239 HydrophobicContact CZ-CG 4.16Å; F230-M239 HydrophobicContact CZ-SD 3.86Å; F230-I243 HydrophobicContact CE2-CD1 3.57Å; F230-I243 HydrophobicContact CZ-CD1 3.72Å
231	T	28.9	Very low	49.1	Very low	92 Å²	92	79.1 Å²	79.1	56%	0.564	46%	0.46	S	S	*	.			trans	-54.8	132.4	169.6	54.3	0	0	0	0	108.1	E229 S233	E229-T231 PolarHBondContact O-N 2.8Å; T231-S233 PolarHBondContact O-N 3.46Å
232	K	34.1	Very low	46.6	Very low	225 Å²	225	84.2 Å²	84.2	98%	0.978	49%	0.486	S	S	*	.	S	Bend	trans	-67.1	36.5	177.1	-69.4	179.9	174.4	177.1	0	113.1	F230	F230-K232 PolarHBondContact O-N 3.25Å
233	S	31.3	Very low	44.2	Very low	97 Å²	97	86.5 Å²	86.5	68%	0.678	50%	0.498	S	S	*	.			trans	-122.5	18.2	-169.7	-167.9	0	0	0	0	114.8	T231	T231-S233 PolarHBondContact O-N 3.46Å
234	C	30.2	Very low	41.8	Very low	120 Å²	120	93.6 Å²	93.6	81%	0.811	53%	0.525	S	S	*	.	S	Bend	trans	-124.3	113.4	160.7	-71.8	0	0	0	0	108.6
235	G	28.8	Very low	39.5	Very low	71 Å²	71	94.8 Å²	94.8	73%	0.732	53%	0.528	S	S	*	.			trans	-55.7	147.9	163	0	0	0	0	0	109.8
236	N	28.7	Very low	37.7	Very low	155 Å²	155	96.5 Å²	96.5	83%	0.829	55%	0.547	S	S	*	.	S	Bend	trans	89	107.1	-179.2	-58.8	-2.1	0	0	0	115.3	N238	N236-N238 PolarHBondContact O-N 3.31Å
237	G	33.8	Very low	36.4	Very low	73 Å²	73	96.2 Å²	96.2	75%	0.753	55%	0.546	S	S	*	.	S	Bend	trans	-73.1	46.5	-173.5	0	0	0	0	0	116.6
238	N	39.2	Very low	35.2	Very low	120 Å²	120	99.2 Å²	99.2	64%	0.642	56%	0.56	S	S	*	*			trans	-102.1	0.1	-178.9	-81.5	10.2	0	0	0	115.3	N236 S241 I242	N236-N238 PolarHBondContact O-N 3.31Å; N238-S241 PolarHBondContact O-OG 3.48Å; N238-I242 WeakPolarHBondContact O-CG1 3.43Å
239	M	33	Very low	34.6	Very low	102 Å²	102	103.3 Å²	103.3	50%	0.502	58%	0.578	S	S	.	*	H	α-helix	trans	-95.3	-25.4	-179.9	-159.1	167.5	-175.2	0	0	113.7	F230 S241 I242	F230-M239 HydrophobicContact CD1-CE 4.4Å; F230-M239 HydrophobicContact CD1-SD 3.77Å; F230-M239 HydrophobicContact CE1-CE 3.28Å; F230-M239 HydrophobicContact CE1-CG 3.98Å; F230-M239 HydrophobicContact CE1-SD 3.17Å; F230-M239 WeakPolarHBondContact CE1-SD 3.37Å; F230-M239 HydrophobicContact CZ-CE 3.6Å; F230-M239 HydrophobicContact CZ-CG 4.16Å; F230-M239 HydrophobicContact CZ-SD 3.86Å; M239-S241 VanDerWaalsContact C-N 3.26Å; M239-S241 PolarHBondContact O-N 3.32Å; M239-I242 PolarHBondContact O-N 2.87Å
240	L	36.7	Very low	34.5	Very low	132 Å²	132	106.7 Å²	106.7	69%	0.691	59%	0.592	S	S	*	*	H	α-helix	trans	-68.7	-25.8	170	-85.9	171.3	0	0	0	112.2	R244	L240-R244 WeakPolarHBondContact O-CB 3.42Å; L240-R244 PolarHBondContact O-N 3.35Å
241	S	37.3	Very low	34.3	Very low	31 Å²	31	110.8 Å²	110.8	22%	0.217	61%	0.612	C	S	.	*	H	α-helix	trans	-72.2	-39.2	172.6	56.6	0	0	0	0	111.2	N238 M239 I243 R244 D245	N238-S241 PolarHBondContact O-OG 3.48Å; M239-S241 VanDerWaalsContact C-N 3.26Å; M239-S241 PolarHBondContact O-N 3.32Å; S241-I243 PolarHBondContact O-N 3.1Å; S241-R244 PolarHBondContact O-N 3.12Å; S241-D245 WeakPolarHBondContact CB-OD2 3.44Å; S241-D245 WeakPolarHBondContact O-CA 3.45Å; S241-D245 WeakPolarHBondContact O-CB 3.38Å; S241-D245 PolarHBondContact O-N 2.8Å
242	I	40.8	Very low	34.3	Very low	111 Å²	111	111 Å²	111	57%	0.569	62%	0.617	S	S	*	*	H	α-helix	trans	-65.1	-38.2	-176.8	-61.3	166.8	0	0	0	112.9	N238 M239 G246	N238-I242 WeakPolarHBondContact O-CG1 3.43Å; M239-I242 PolarHBondContact O-N 2.87Å; I242-G246 PolarHBondContact O-N 2.99Å; I242-G246 VanDerWaalsContact O-N 3.13Å
243	I	40.5	Very low	33.9	Very low	48 Å²	48	108.3 Å²	108.3	25%	0.246	61%	0.614	C	S	.	*	H	α-helix	trans	-80.8	-31.4	176.8	-61.2	173.8	0	0	0	111.6	F230 S241 L247	F230-I243 HydrophobicContact CE2-CD1 3.57Å; F230-I243 HydrophobicContact CZ-CD1 3.72Å; S241-I243 PolarHBondContact O-N 3.1Å; I243-L247 PolarHBondContact O-N 3.45Å
244	R	36.2	Very low	33.8	Very low	150 Å²	150	108.8 Å²	108.8	57%	0.566	62%	0.617	S	S	*	*	H	α-helix	trans	-74.8	-43.9	177.2	-173.9	169.9	68.7	-167.7	4.1	111.8	L240 S241 G246 L247 E248	L240-R244 WeakPolarHBondContact O-CB 3.42Å; L240-R244 PolarHBondContact O-N 3.35Å; S241-R244 PolarHBondContact O-N 3.12Å; R244-G246 VanDerWaalsContact C-N 3.33Å; R244-L247 CarbonylContact O-C 3.57Å; R244-L247 PolarHBondContact O-N 3.46Å; R244-L247 VanDerWaalsContact O-N 3.08Å; R244-E248 PolarHBondContact O-N 3.49Å
245	D	35.1	Very low	33.8	Very low	76 Å²	76	111 Å²	111	41%	0.406	62%	0.621	S	S	.	*	H	α-helix	trans	-69.6	-33.3	177.8	-58	-9.7	0	0	0	110.3	S241 L247 E248 L249	S241-D245 WeakPolarHBondContact CB-OD2 3.44Å; S241-D245 WeakPolarHBondContact O-CA 3.45Å; S241-D245 WeakPolarHBondContact O-CB 3.38Å; S241-D245 PolarHBondContact O-N 2.8Å; D245-L247 PolarHBondContact O-N 3.1Å; D245-E248 PolarHBondContact O-N 2.84Å; D245-L249 PolarHBondContact O-N 3.32Å
246	G	38.1	Very low	33.8	Very low	41 Å²	41	112.5 Å²	112.5	42%	0.423	62%	0.62	S	S	.	*	H	α-helix	trans	-67.7	-17.7	169.9	0	0	0	0	0	114.6	I242 R244	I242-G246 PolarHBondContact O-N 2.99Å; I242-G246 VanDerWaalsContact O-N 3.13Å; R244-G246 VanDerWaalsContact C-N 3.33Å
247	L	36.5	Very low	33.8	Very low	59 Å²	59	113.6 Å²	113.6	31%	0.309	62%	0.62	S	S	.	*	H	α-helix	trans	-100.2	-19	174.6	-114.8	125	0	0	0	113.1	I243 R244 D245 F250	I243-L247 PolarHBondContact O-N 3.45Å; R244-L247 CarbonylContact O-C 3.57Å; R244-L247 PolarHBondContact O-N 3.46Å; R244-L247 VanDerWaalsContact O-N 3.08Å; D245-L247 PolarHBondContact O-N 3.1Å; L247-F250 WeakPolarHBondContact O-CD2 3.45Å
248	E	30.4	Very low	33.9	Very low	138 Å²	138	114.6 Å²	114.6	65%	0.645	62%	0.616	S	S	*	*	H	α-helix	trans	-85.3	-9.5	172.4	-74.4	-178.1	-174.8	0	0	112.5	R244 D245 F250	R244-E248 PolarHBondContact O-N 3.49Å; D245-E248 PolarHBondContact O-N 2.84Å; E248-F250 PolarHBondContact O-N 3.45Å
249	L	33.9	Very low	33.4	Very low	131 Å²	131	113.7 Å²	113.7	69%	0.686	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-78	6.8	174.2	-111.9	137.7	0	0	0	114.9	D245 E251	D245-L249 PolarHBondContact O-N 3.32Å; L249-E251 VanDerWaalsContact C-N 3.32Å
250	F	34.4	Very low	33.4	Very low	169 Å²	169	114.4 Å²	114.4	74%	0.741	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-88.5	12.7	175.7	-69.6	-70.1	0	0	0	114.5	L247 E248	L247-F250 WeakPolarHBondContact O-CD2 3.45Å; E248-F250 PolarHBondContact O-N 3.45Å
251	E	32.2	Very low	33.3	Very low	185 Å²	185	113 Å²	113	86%	0.864	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-127.2	29.1	175.5	-71	-171.1	164.1	0	0	113.7	L249	L249-E251 VanDerWaalsContact C-N 3.32Å
252	S	28.8	Very low	33	Very low	96 Å²	96	116.9 Å²	116.9	67%	0.671	64%	0.644	S	S	*	*			trans	-131.5	104.6	168.9	-77.9	0	0	0	0	112.1	S254	S252-S254 PolarHBondContact O-N 3.18Å
253	D	26.8	Very low	32.5	Very low	170 Å²	170	115.6 Å²	115.6	91%	0.909	65%	0.645	S	S	*	*			trans	-58.9	98.4	163.1	-65.1	-38.2	0	0	0	109.3
254	S	29.2	Very low	32	Very low	107 Å²	107	117.9 Å²	117.9	75%	0.748	66%	0.657	S	S	*	*			trans	-156.5	106.5	163.2	-76.4	0	0	0	0	110.2	S252 S256	S252-S254 PolarHBondContact O-N 3.18Å; S254-S256 PolarHBondContact O-N 3.01Å
255	D	29.7	Very low	31.9	Very low	166 Å²	166	115.9 Å²	115.9	89%	0.888	65%	0.654	S	S	*	*			trans	-62.4	106.4	173.5	-67.5	-48.5	0	0	0	111.3
256	S	27.9	Very low	31.7	Very low	103 Å²	103	117.8 Å²	117.8	72%	0.72	66%	0.664	S	S	*	*			trans	-172.5	116.7	162.4	-79.3	0	0	0	0	114.3	S254	S254-S256 PolarHBondContact O-N 3.01Å
257	H	29.6	Very low	31.4	Very low	177 Å²	177	119.8 Å²	119.8	82%	0.819	67%	0.671	S	S	*	*			trans	59	106.5	155.4	-57.8	-62.4	0	0	0	119.7
258	S	36.2	Very low	31.2	Very low	95 Å²	95	120.9 Å²	120.9	66%	0.664	67%	0.673	S	S	*	*				78.4	119.7	80.1	-170.7	0	0	0	0	116.7
259	S	29	Very low	31.4	Very low	100 Å²	100	119.3 Å²	119.3	70%	0.699	66%	0.662	S	S	*	*	S	Bend	trans	90.7	-20.4	154.7	77.8	0	0	0	0	121.9
260	T	32.6	Very low	31.3	Very low	117 Å²	117	121.5 Å²	121.5	72%	0.718	67%	0.666	S	S	*	*	S	Bend	trans	-95.5	-20.5	-178.7	10.5	0	0	0	0	115.2	N262	T260-N262 PolarHBondContact O-N 3.08Å
261	V	33.8	Very low	31.4	Very low	103 Å²	103	118 Å²	118	62%	0.624	65%	0.648	S	S	*	*	H	α-helix	trans	-67.7	-31.2	-176.3	-98.1	0	0	0	0	113.9	S263	V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 PolarHBondContact O-N 3.25Å
262	N	31.4	Very low	31.4	Very low	112 Å²	112	113.7 Å²	113.7	60%	0.599	63%	0.631	S	S	*	*	H	α-helix	trans	-71.6	-20.5	-176.1	-68.1	-4.5	0	0	0	114.3	T260	T260-N262 PolarHBondContact O-N 3.08Å
263	S	30.3	Very low	31.6	Very low	84 Å²	84	113.9 Å²	113.9	59%	0.587	63%	0.63	S	S	*	*	H	α-helix	trans	-80.2	-26.6	-177.5	-93.5	0	0	0	0	113.9	V261	V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 PolarHBondContact O-N 3.25Å
264	L	30.5	Very low	31.9	Very low	97 Å²	97	109 Å²	109	51%	0.508	61%	0.609	S	S	.	*	H	α-helix	trans	-91.5	-30.1	179.5	-97.4	152.9	0	0	0	112.6	N266 C267 F268	L264-N266 VanDerWaalsContact C-N 3.27Å; L264-N266 PolarHBondContact O-N 2.7Å; L264-C267 PolarHBondContact O-N 3.09Å; L264-C267 VanDerWaalsContact O-N 3.16Å; L264-F268 HydrophobicContact CD2-CE2 4.41Å; L264-F268 WeakPolarHBondContact O-CD2 3.48Å
265	E	33.3	Very low	32.2	Very low	107 Å²	107	110.4 Å²	110.4	50%	0.5	60%	0.601	S	S	.	*	H	α-helix	trans	-59.5	-39.3	166.6	-74.6	-174.6	154.6	0	0	110.7	C267 F268 Y269	E265-C267 PolarHBondContact O-N 2.96Å; E265-C267 VanDerWaalsContact O-N 3.11Å; E265-F268 PolarHBondContact O-N 3.13Å; E265-Y269 HydrophobicContact CB-CD2 4.42Å; E265-Y269 HydrophobicContact CB-CE2 4.44Å; E265-Y269 HydrophobicContact CG-CE2 4.49Å; E265-Y269 WeakPolarHBondContact O-CB 3.33Å; E265-Y269 WeakPolarHBondContact O-CD2 3.22Å; E265-Y269 PolarHBondContact O-N 3.03Å
266	N	31	Very low	32.3	Very low	117 Å²	117	107 Å²	107	63%	0.626	59%	0.59	S	S	*	*	H	α-helix	trans	-67.1	-16.7	176.8	-86.7	-1.2	0	0	0	115.2	L264	L264-N266 VanDerWaalsContact C-N 3.27Å; L264-N266 PolarHBondContact O-N 2.7Å
267	C	31.5	Very low	32.6	Very low	83 Å²	83	107.6 Å²	107.6	56%	0.561	59%	0.585	S	S	*	*	H	α-helix	trans	-81.5	-22.1	177.9	-71.7	0	0	0	0	113.8	L264 E265	L264-C267 PolarHBondContact O-N 3.09Å; L264-C267 VanDerWaalsContact O-N 3.16Å; E265-C267 PolarHBondContact O-N 2.96Å; E265-C267 VanDerWaalsContact O-N 3.11Å
268	F	33.5	Very low	32.6	Very low	81 Å²	81	104.4 Å²	104.4	36%	0.355	58%	0.579	S	S	.	*	H	α-helix	trans	-103.7	-10.1	177.6	-66.1	-76.4	0	0	0	113.3	P228 L264 E265 F411	P228-F268 HydrophobicContact CG-CE1 4.38Å; L264-F268 HydrophobicContact CD2-CE2 4.41Å; L264-F268 WeakPolarHBondContact O-CD2 3.48Å; E265-F268 PolarHBondContact O-N 3.13Å; F268-F411 HydrophobicContact CD1-CE2 4.19Å; F268-F411 HydrophobicContact CD1-CZ 4.33Å; F268-F411 AromaticContact CE1-CE2 3.79Å; F268-F411 HydrophobicContact CE1-CE2 3.79Å; F268-F411 AromaticContact CE1-CZ 3.77Å; F268-F411 HydrophobicContact CE1-CZ 3.77Å; F268-F411 HydrophobicContact CZ-CE2 4.48Å
269	Y	35	Very low	32.4	Very low	105 Å²	105	107.8 Å²	107.8	41%	0.412	59%	0.589	S	S	.	*			trans	-119.5	58.3	-169.1	-67	-109.2	0	0	0	112.2	E265 R271	E265-Y269 HydrophobicContact CB-CD2 4.42Å; E265-Y269 HydrophobicContact CB-CE2 4.44Å; E265-Y269 HydrophobicContact CG-CE2 4.49Å; E265-Y269 WeakPolarHBondContact O-CB 3.33Å; E265-Y269 WeakPolarHBondContact O-CD2 3.22Å; E265-Y269 PolarHBondContact O-N 3.03Å; Y269-R271 PolarHBondContact O-N 3.28Å
270	F	31.7	Very low	32.4	Very low	178 Å²	178	112.1 Å²	112.1	78%	0.781	60%	0.598	S	S	*	*			trans	-75.6	67.9	154.6	-94.4	-79.2	0	0	0	109	N272	F270-N272 PolarHBondContact O-N 2.87Å
271	R	36.2	Very low	32.3	Very low	96 Å²	96	112.3 Å²	112.3	36%	0.362	60%	0.599	S	S	.	*			trans	-85.4	96.8	174.6	-157.5	-178.6	-167.9	-171.9	6.7	107.8	Y269 N912	Y269-R271 PolarHBondContact O-N 3.28Å; R271-N912 VanDerWaalsContact CZ-ND2 3.28Å; R271-N912 PolarHBondContact NE-ND2 3.47Å; R271-N912 PolarHBondContact NH1-ND2 3.21Å
272	N	31.3	Very low	31.9	Very low	93 Å²	93	112.9 Å²	112.9	50%	0.497	61%	0.605	S	S	.	*			trans	-69.3	129.7	165.4	-83.1	-37.1	0	0	0	108.3	F270 C274	F270-N272 PolarHBondContact O-N 2.87Å; N272-C274 PolarHBondContact O-N 3.24Å; N272-C274 VanDerWaalsContact O-N 3.12Å
273	P	33.7	Very low	31.9	Very low	101 Å²	101	115 Å²	115	66%	0.656	62%	0.616	S	S	*	*			trans	-59.4	120.3	175.7	22.7	-30.1	0	0	0	108.8	K275	P273-K275 PolarHBondContact O-N 3.32Å; P273-K275 VanDerWaalsContact O-N 3.12Å
274	C	33.5	Very low	31.8	Very low	68 Å²	68	120 Å²	120	46%	0.459	63%	0.627	S	S	.	*			trans	-68.2	109.2	-177.9	-66	0	0	0	0	108.9	V203 N272	V203-C274 HydrophobicContact CG1-CB 4.5Å; N272-C274 PolarHBondContact O-N 3.24Å; N272-C274 VanDerWaalsContact O-N 3.12Å
275	K	33.7	Very low	31.7	Very low	135 Å²	135	122.8 Å²	122.8	59%	0.587	64%	0.642	S	S	*	*			trans	-85.9	120.8	158.6	-68.4	-173.2	178.6	-171.1	0	107.1	P273 I277	P273-K275 PolarHBondContact O-N 3.32Å; P273-K275 VanDerWaalsContact O-N 3.12Å; K275-I277 PolarHBondContact O-N 3.2Å
276	S	32.3	Very low	31.6	Very low	95 Å²	95	125.9 Å²	125.9	66%	0.664	66%	0.656	S	S	*	*			trans	-63.2	104.7	169.4	54.6	0	0	0	0	108.6	P278	S276-P278 WeakPolarHBondContact O-CD 3.43Å
277	I	34.9	Very low	31.5	Very low	116 Å²	116	131.6 Å²	131.6	60%	0.595	67%	0.669	S	S	*	*			trans	-90	116	172.2	-58	169.9	0	0	0	106.5	K275 L279	K275-I277 PolarHBondContact O-N 3.2Å; I277-L279 PolarHBondContact O-N 2.84Å
278	P	30.2	Very low	31.4	Very low	110 Å²	110	132.4 Å²	132.4	71%	0.714	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-61.9	121.9	172.3	23.8	-29.3	0	0	0	108.9	S276 E280	S276-P278 WeakPolarHBondContact O-CD 3.43Å; P278-E280 PolarHBondContact O-N 2.93Å
279	L	31.7	Very low	31.7	Very low	165 Å²	165	133 Å²	133	86%	0.864	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-77.3	116.2	170.1	-79.3	155.3	0	0	0	107.7	I277 V281	I277-L279 PolarHBondContact O-N 2.84Å; L279-V281 PolarHBondContact O-N 3.48Å
280	E	28.3	Very low	31.3	Very low	192 Å²	192	138.9 Å²	138.9	90%	0.897	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-57.3	121.6	168.8	-84.4	-178.5	153.8	0	0	109.1	P278 P282	P278-E280 PolarHBondContact O-N 2.93Å; E280-P282 WeakPolarHBondContact O-CD 3.17Å
281	V	29.9	Very low	31.2	Very low	120 Å²	120	136.3 Å²	136.3	73%	0.727	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-66.8	123.9	167.8	-178.2	0	0	0	0	106.2	L279 D283	L279-V281 PolarHBondContact O-N 3.48Å; V281-D283 PolarHBondContact O-N 3.24Å
282	P	26.8	Very low	30.7	Very low	115 Å²	115	137.4 Å²	137.4	75%	0.747	73%	0.728	S	S	*	*			trans	-65	105.6	173	-14.2	27.6	0	0	0	107.5	E280 K284	E280-P282 WeakPolarHBondContact O-CD 3.17Å; P282-K284 PolarHBondContact O-N 2.88Å; P282-K284 VanDerWaalsContact O-N 3.11Å
283	D	30.5	Very low	30.5	Very low	157 Å²	157	138.3 Å²	138.3	84%	0.84	74%	0.742	S	S	*	*			trans	-60.6	118.9	174.3	-100.9	-21.1	0	0	0	108.3	V281	V281-D283 PolarHBondContact O-N 3.24Å
284	K	29	Very low	30.5	Very low	188 Å²	188	139.6 Å²	139.6	82%	0.817	75%	0.75	S	S	*	*			trans	-70.3	138.1	168.2	-71	-177.6	177.5	-178.7	0	106.8	P282	P282-K284 PolarHBondContact O-N 2.88Å; P282-K284 VanDerWaalsContact O-N 3.11Å
285	L	27	Very low	30.2	Very low	157 Å²	157	143.9 Å²	143.9	82%	0.822	77%	0.769	S	S	*	*			trans	101.9	87.4	169.1	-54.9	161.3	0	0	0	114
286	H	31.4	Very low	29.9	Very low	172 Å²	172	145.1 Å²	145.1	80%	0.796	78%	0.781	S	S	*	*				-156.5	98.3	115.2	-94.4	-67	0	0	0	109.6
287	R	29.8	Very low	30.2	Very low	236 Å²	236	146.1 Å²	146.1	89%	0.891	79%	0.785	S	S	*	*			trans	-75.3	149.1	149	-106.9	-174.2	-170.9	-177.7	3.3	105.5
288	S	29.2	Very low	29.9	Very low	101 Å²	101	143.6 Å²	143.6	71%	0.706	79%	0.788	S	S	*	*			cis	-178.8	-160.9	12.5	-149.2	0	0	0	0	105.1
289	P	39.5	Very low	29.8	Very low	93 Å²	93	147 Å²	147	60%	0.604	79%	0.794	S	S	*	*			cis	-132	159.9	-17.1	32.2	-10.8	0	0	0	111.7
290	R	27	Very low	29.7	Very low	229 Å²	229	143.9 Å²	143.9	86%	0.864	79%	0.786	S	S	*	*				171.3	139.8	78.8	-68	176.8	-167.9	-177.7	2.9	102.4
291	V	29	Very low	29.7	Very low	124 Å²	124	140.4 Å²	140.4	75%	0.752	78%	0.783	S	S	*	*				-175.5	132.9	70.5	165.1	0	0	0	0	107.1
292	C	25.9	Very low	29.6	Very low	118 Å²	118	139.1 Å²	139.1	80%	0.797	79%	0.785	S	S	*	*			trans	49.8	129.1	153.9	-60.3	0	0	0	0	123.2
293	S	28.1	Very low	30.1	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	78%	0.782	S	S	*	*			trans	-40.5	163.5	166.2	-41.5	0	0	0	0	115.3
294	P	32.1	Very low	30	Very low	128 Å²	128	140.8 Å²	140.8	83%	0.831	78%	0.784	S	S	*	*				-149.2	164.7	103.9	32.5	-12.9	0	0	0	116.2
295	N	27	Very low	30.4	Very low	159 Å²	159	136.9 Å²	136.9	85%	0.85	78%	0.778	S	S	*	*			trans	-59.6	152.9	175.7	-62	-48.2	0	0	0	114.1
296	L	28.9	Very low	30.5	Very low	161 Å²	161	134.6 Å²	134.6	84%	0.843	78%	0.775	S	S	*	*			trans	-57.7	179.4	160.7	-107.7	78.8	0	0	0	112.5
297	P	39	Very low	30.4	Very low	116 Å²	116	137.7 Å²	137.7	75%	0.753	78%	0.78	S	S	*	*			cis	-138.7	176.1	-32.2	33.9	-15.2	0	0	0	113.3
298	G	27.9	Very low	30.4	Very low	63 Å²	63	131.9 Å²	131.9	65%	0.649	78%	0.775	S	S	*	*			trans	158.7	106.4	154.1	0	0	0	0	0	119.3
299	H	28.9	Very low	30.4	Very low	180 Å²	180	131.1 Å²	131.1	83%	0.833	78%	0.783	S	S	*	*			trans	58.8	114.4	134.8	-59.3	-74.2	0	0	0	124.2
300	S	28.1	Very low	30	Very low	101 Å²	101	130.5 Å²	130.5	71%	0.706	79%	0.794	S	S	*	*				89.4	124.1	121.9	-58.3	0	0	0	0	123.3
301	S	28.8	Very low	30	Very low	119 Å²	119	127.2 Å²	127.2	83%	0.832	79%	0.793	S	S	*	*			trans	73.5	126.3	141.7	47.8	0	0	0	0	122.5
302	A	28.3	Very low	30.2	Very low	92 Å²	92	127.9 Å²	127.9	76%	0.76	80%	0.798	S	S	*	*			trans	-77.7	-169.7	167.5	0	0	0	0	0	112.1
303	P	37.9	Very low	30.3	Very low	105 Å²	105	129.3 Å²	129.3	68%	0.682	80%	0.803	S	S	*	*			cis	-137.7	161.1	-8.9	29.9	-6.8	0	0	0	117.2
304	F	28.2	Very low	30.4	Very low	202 Å²	202	126.9 Å²	126.9	89%	0.886	80%	0.796	S	S	*	*			trans	29.8	164.8	149.7	-64.2	-62.9	0	0	0	124.3
305	P	37.3	Very low	30.2	Very low	107 Å²	107	127 Å²	127	70%	0.695	80%	0.799	S	S	*	*			cis	-142.5	171.2	-17.4	33.2	-10.4	0	0	0	118
306	S	28.7	Very low	30.5	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	79%	0.791	S	S	*	*			trans	69.1	122.1	145	43.3	0	0	0	0	125
307	R	28.6	Very low	30.6	Very low	238 Å²	238	122.9 Å²	122.9	90%	0.898	79%	0.789	S	S	*	*				129.1	115.6	120.2	-114.5	-178.9	-174.8	-132.9	2.5	118.2
308	S	29.1	Very low	30.2	Very low	113 Å²	113	124.7 Å²	124.7	79%	0.79	79%	0.792	S	S	*	*			trans	65.9	120.9	140.2	60.9	0	0	0	0	123.5
309	G	29.7	Very low	30.6	Very low	85 Å²	85	124.4 Å²	124.4	88%	0.876	78%	0.78	S	S	*	*			trans	133.5	116.9	130.6	0	0	0	0	0	117.3
310	G	32.1	Very low	31.4	Very low	81 Å²	81	119.6 Å²	119.6	84%	0.835	77%	0.766	S	S	*	*			trans	115.5	113.9	148.4	0	0	0	0	0	117.6
311	D	26.9	Very low	32.1	Very low	159 Å²	159	119.2 Å²	119.2	85%	0.85	76%	0.764	S	S	*	*			trans	-65.4	142.6	-178.8	-60.5	-59.6	0	0	0	115.3
312	T	33	Very low	32.9	Very low	138 Å²	138	118 Å²	118	85%	0.847	75%	0.747	S	S	*	*			trans	-175.6	115.8	131.7	19.9	0	0	0	0	112.4
313	V	27	Very low	33.8	Very low	148 Å²	148	120.1 Å²	120.1	90%	0.897	74%	0.739	S	S	*	*			trans	21.2	106.8	145.6	-166.3	0	0	0	0	118
314	G	31.3	Very low	34.2	Very low	62 Å²	62	124 Å²	124	64%	0.639	74%	0.74	S	S	*	*			trans	-176.6	82.2	169.3	0	0	0	0	0	112.2	T316	G314-T316 PolarHBondContact O-N 2.86Å; G314-T316 VanDerWaalsContact O-N 3.07Å
315	S	27.4	Very low	34.8	Very low	130 Å²	130	120.9 Å²	120.9	91%	0.909	72%	0.724	S	S	*	*			trans	-58.7	105	-179.7	-50.8	0	0	0	0	112
316	T	33.1	Very low	35.1	Very low	109 Å²	109	120.8 Å²	120.8	67%	0.669	71%	0.714	S	S	*	*			trans	-108.1	136.5	171.8	46.9	0	0	0	0	110.2	G314 L318	G314-T316 PolarHBondContact O-N 2.86Å; G314-T316 VanDerWaalsContact O-N 3.07Å; T316-L318 PolarHBondContact O-N 3.17Å
317	P	31.9	Very low	35.7	Very low	125 Å²	125	121.3 Å²	121.3	81%	0.812	71%	0.707	S	S	*	*			trans	-82.8	85.5	-173.5	32.4	-32.6	0	0	0	111.4	S319	P317-S319 PolarHBondContact O-N 3.32Å
318	L	29.5	Very low	36.3	Very low	154 Å²	154	114.9 Å²	114.9	81%	0.806	69%	0.691	S	S	*	*			trans	-71.8	69.1	165.2	-70.6	162.9	0	0	0	110.5	T316	T316-L318 PolarHBondContact O-N 3.17Å
319	S	36.3	Very low	36.6	Very low	56 Å²	56	113.9 Å²	113.9	39%	0.392	67%	0.674	S	S	.	*			trans	-132.6	-4.1	-174.6	-163.4	0	0	0	0	116.7	P317 K323	P317-S319 PolarHBondContact O-N 3.32Å; S319-K323 WeakPolarHBondContact O-CB 3.47Å; S319-K323 WeakPolarHBondContact O-CD 3.49Å; S319-K323 VanDerWaalsContact O-CG 3.29Å; S319-K323 WeakPolarHBondContact O-CG 3.44Å
320	S	46.2	Very low	37.1	Very low	80 Å²	80	113.2 Å²	113.2	56%	0.559	66%	0.66	S	S	*	*	H	α-helix	trans	-89.6	-40.2	177.6	64.6	0	0	0	0	113.4	R324	S320-R324 PolarHBondContact O-N 3.42Å
321	S	42.8	Very low	37.4	Very low	93 Å²	93	113.9 Å²	113.9	65%	0.65	65%	0.648	S	S	*	*	H	α-helix	trans	-74.2	-34.7	175.5	-65.5	0	0	0	0	112.5	R324 Y325	S321-R324 PolarHBondContact O-N 2.91Å; S321-Y325 WeakPolarHBondContact O-CB 3.31Å; S321-Y325 PolarHBondContact O-N 3.03Å
322	L	45	Very low	37.4	Very low	93 Å²	93	110 Å²	110	49%	0.487	63%	0.627	S	S	.	*	H	α-helix	trans	-70.4	-38.2	178.7	-158.8	72.9	0	0	0	111.7	Y325 H326	L322-Y325 HydrophobicContact CD1-CD1 4.47Å; L322-Y325 PolarHBondContact O-N 3.38Å; L322-H326 VanDerWaalsContact O-CB 3.31Å; L322-H326 WeakPolarHBondContact O-CB 3.41Å; L322-H326 PolarHBondContact O-CD2 2.93Å; L322-H326 VanDerWaalsContact O-CG 3.29Å; L322-H326 PolarHBondContact O-N 3.19Å
323	K	46.8	Very low	37.4	Very low	136 Å²	136	110.6 Å²	110.6	59%	0.591	62%	0.619	S	S	*	*	H	α-helix	trans	-65	-42.5	172.5	-78.9	-179.7	-179.6	-179.7	0	112.5	S319 H326 L327	S319-K323 WeakPolarHBondContact O-CB 3.47Å; S319-K323 WeakPolarHBondContact O-CD 3.49Å; S319-K323 VanDerWaalsContact O-CG 3.29Å; S319-K323 WeakPolarHBondContact O-CG 3.44Å; K323-H326 PolarHBondContact O-N 3.37Å; K323-L327 WeakPolarHBondContact O-CB 3.39Å; K323-L327 WeakPolarHBondContact O-CG 3.39Å; K323-L327 PolarHBondContact O-N 3.18Å
324	R	47	Very low	37.7	Very low	187 Å²	187	109 Å²	109	71%	0.706	61%	0.611	S	S	*	*	H	α-helix	trans	-65.4	-38.5	173.5	-103	-176	-92.6	176.2	-8.8	112.4	S320 S321 N328	S320-R324 PolarHBondContact O-N 3.42Å; S321-R324 PolarHBondContact O-N 2.91Å; R324-N328 VanDerWaalsContact O-CB 3.24Å; R324-N328 WeakPolarHBondContact O-CB 3.39Å; R324-N328 PolarHBondContact O-N 2.89Å
325	Y	41.6	Very low	37.5	Very low	137 Å²	137	111.8 Å²	111.8	54%	0.537	62%	0.621	S	S	.	*	H	α-helix	trans	-66.7	-39.6	174.7	-177.5	-113.8	0	0	0	112	S321 L322 N328 Q329	S321-Y325 WeakPolarHBondContact O-CB 3.31Å; S321-Y325 PolarHBondContact O-N 3.03Å; L322-Y325 HydrophobicContact CD1-CD1 4.47Å; L322-Y325 PolarHBondContact O-N 3.38Å; Y325-N328 PolarHBondContact O-N 3.24Å; Y325-Q329 VanDerWaalsContact CD1-NE2 3.33Å; Y325-Q329 WeakPolarHBondContact O-CB 3.38Å; Y325-Q329 WeakPolarHBondContact O-CG 3.5Å; Y325-Q329 PolarHBondContact O-N 3.38Å
326	H	42.8	Very low	37.6	Very low	105 Å²	105	108.7 Å²	108.7	49%	0.486	61%	0.61	S	S	.	*	H	α-helix	trans	-71.1	-38	176.1	-76.9	-150.6	0	0	0	112.3	L322 K323 Q329 A330	L322-H326 VanDerWaalsContact O-CB 3.31Å; L322-H326 WeakPolarHBondContact O-CB 3.41Å; L322-H326 PolarHBondContact O-CD2 2.93Å; L322-H326 VanDerWaalsContact O-CG 3.29Å; L322-H326 PolarHBondContact O-N 3.19Å; K323-H326 PolarHBondContact O-N 3.37Å; H326-Q329 PolarHBondContact O-N 2.94Å; H326-A330 WeakPolarHBondContact O-CB 3.5Å; H326-A330 PolarHBondContact O-N 2.73Å
327	L	42.1	Very low	37.4	Very low	118 Å²	118	108.1 Å²	108.1	62%	0.618	61%	0.61	S	S	*	*	H	α-helix	trans	-65	-40.6	171.9	-76.5	165.1	0	0	0	111.6	K323 Q329 A330 T331	K323-L327 WeakPolarHBondContact O-CB 3.39Å; K323-L327 WeakPolarHBondContact O-CG 3.39Å; K323-L327 PolarHBondContact O-N 3.18Å; L327-Q329 VanDerWaalsContact C-N 3.28Å; L327-Q329 PolarHBondContact O-N 3.35Å; L327-A330 PolarHBondContact O-N 2.99Å; L327-T331 PolarHBondContact O-N 2.75Å; L327-T331 VanDerWaalsContact O-N 3.13Å; L327-T331 PolarHBondContact O-OG1 3.4Å
328	N	40.6	Very low	37.2	Very low	103 Å²	103	106.8 Å²	106.8	55%	0.551	61%	0.609	S	S	*	*	H	α-helix	trans	-68.4	-27.5	175.2	-159.5	22.4	0	0	0	112.5	R324 Y325 T331	R324-N328 VanDerWaalsContact O-CB 3.24Å; R324-N328 WeakPolarHBondContact O-CB 3.39Å; R324-N328 PolarHBondContact O-N 2.89Å; Y325-N328 PolarHBondContact O-N 3.24Å; N328-T331 PolarHBondContact O-OG1 3.31Å
329	Q	35.8	Very low	37.2	Very low	92 Å²	92	109.4 Å²	109.4	43%	0.43	61%	0.609	S	S	.	*	H	α-helix	trans	-76.1	-36.1	169.8	-79.5	-167.7	68.7	0	0	112.8	Y325 H326 L327 T331 N332	Y325-Q329 VanDerWaalsContact CD1-NE2 3.33Å; Y325-Q329 WeakPolarHBondContact O-CB 3.38Å; Y325-Q329 WeakPolarHBondContact O-CG 3.5Å; Y325-Q329 PolarHBondContact O-N 3.38Å; H326-Q329 PolarHBondContact O-N 2.94Å; L327-Q329 VanDerWaalsContact C-N 3.28Å; L327-Q329 PolarHBondContact O-N 3.35Å; Q329-T331 VanDerWaalsContact C-N 3.26Å; Q329-T331 PolarHBondContact O-N 2.88Å; Q329-N332 CarbonylContact O-C 3.57Å; Q329-N332 WeakPolarHBondContact O-CA 3.41Å; Q329-N332 WeakPolarHBondContact O-CB 3.31Å; Q329-N332 PolarHBondContact O-N 3.43Å
330	A	40.3	Very low	36.7	Very low	72 Å²	72	118.4 Å²	118.4	60%	0.595	63%	0.634	S	S	*	*	H	α-helix	trans	-67.5	-26.8	176.5	0	0	0	0	0	112.7	H326 L327 N332	H326-A330 WeakPolarHBondContact O-CB 3.5Å; H326-A330 PolarHBondContact O-N 2.73Å; L327-A330 PolarHBondContact O-N 2.99Å; A330-N332 VanDerWaalsContact C-N 3.33Å
331	T	37.2	Very low	36	Very low	95 Å²	95	122.1 Å²	122.1	58%	0.583	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	2	169.7	56.2	0	0	0	0	113.7	L327 N328 Q329	L327-T331 PolarHBondContact O-N 2.75Å; L327-T331 VanDerWaalsContact O-N 3.13Å; L327-T331 PolarHBondContact O-OG1 3.4Å; N328-T331 PolarHBondContact O-OG1 3.31Å; Q329-T331 VanDerWaalsContact C-N 3.26Å; Q329-T331 PolarHBondContact O-N 2.88Å
332	N	27.1	Very low	35.3	Very low	76 Å²	76	125 Å²	125	41%	0.406	66%	0.655	S	S	.	*			trans	-109	103.8	175.8	-110.7	-11.9	0	0	0	109.2	K202 Q329 A330	K202-N332 PolarHBondContact NZ-OD1 3.4Å; Q329-N332 CarbonylContact O-C 3.57Å; Q329-N332 WeakPolarHBondContact O-CA 3.41Å; Q329-N332 WeakPolarHBondContact O-CB 3.31Å; Q329-N332 PolarHBondContact O-N 3.43Å; A330-N332 VanDerWaalsContact C-N 3.33Å
333	F	34.1	Very low	34.5	Very low	152 Å²	152	129 Å²	129	67%	0.667	68%	0.677	S	S	*	*			trans	-72.4	152.9	164.3	-87.8	-81.8	0	0	0	110.6	S335	F333-S335 PolarHBondContact O-N 2.68Å
334	P	31.9	Very low	33.6	Very low	113 Å²	113	127.3 Å²	127.3	73%	0.734	68%	0.682	S	S	*	*			trans	-66.3	123.1	-145.3	26.9	-33.5	0	0	0	110.5	G336	P334-G336 VanDerWaalsContact C-N 3.3Å; P334-G336 PolarHBondContact O-N 3.35Å
335	S	28.7	Very low	33	Very low	121 Å²	121	124 Å²	124	85%	0.846	69%	0.685	S	S	*	*			trans	-59.6	105.4	156.9	-159	0	0	0	0	105.5	F333 S337	F333-S335 PolarHBondContact O-N 2.68Å; S335-S337 PolarHBondContact O-N 2.93Å
336	G	28.2	Very low	32.3	Very low	66 Å²	66	125 Å²	125	68%	0.68	70%	0.7	S	S	*	*			trans	-44.9	116.7	168.3	0	0	0	0	0	107.5	P334 A338	P334-G336 VanDerWaalsContact C-N 3.3Å; P334-G336 PolarHBondContact O-N 3.35Å; G336-A338 PolarHBondContact O-N 3.48Å
337	S	28.9	Very low	31.7	Very low	97 Å²	97	125 Å²	125	68%	0.678	71%	0.712	S	S	*	*			trans	-55.7	103.5	171.2	-178.2	0	0	0	0	106.9	S335 R339	S335-S337 PolarHBondContact O-N 2.93Å; S337-R339 PolarHBondContact O-N 3.34Å
338	A	29.1	Very low	31	Very low	96 Å²	96	126.2 Å²	126.2	79%	0.793	72%	0.724	S	S	*	*			trans	-64.4	82.4	155.6	0	0	0	0	0	105.8	G336 R340	G336-A338 PolarHBondContact O-N 3.48Å; A338-R340 PolarHBondContact O-N 3.15Å; A338-R340 VanDerWaalsContact O-N 3.15Å
339	R	28.9	Very low	30.3	Very low	209 Å²	209	129.3 Å²	129.3	79%	0.789	74%	0.735	S	S	*	*			trans	-57.7	118.8	160	-67.3	-169.9	-162.3	-159.8	5.6	105	S337 L341	S337-R339 PolarHBondContact O-N 3.34Å; R339-L341 VanDerWaalsContact C-N 3.34Å; R339-L341 PolarHBondContact O-N 3.27Å
340	R	26.3	Very low	29.9	Very low	245 Å²	245	132 Å²	132	93%	0.925	75%	0.749	S	S	*	*			trans	-52.5	104.6	161.3	-65.7	176.4	179	168.4	-2.3	105.7	A338	A338-R340 PolarHBondContact O-N 3.15Å; A338-R340 VanDerWaalsContact O-N 3.15Å
341	L	30.2	Very low	29.1	Very low	159 Å²	159	131.9 Å²	131.9	83%	0.832	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-90.8	131.3	165.1	-134.3	91.1	0	0	0	106	R339	R339-L341 VanDerWaalsContact C-N 3.34Å; R339-L341 PolarHBondContact O-N 3.27Å
342	D	29.6	Very low	28.7	Very low	153 Å²	153	133.8 Å²	133.8	82%	0.818	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-53.4	151.9	-176.8	-68.4	-56.7	0	0	0	113.7	S344	D342-S344 PolarHBondContact O-N 3.25Å
343	D	27.4	Very low	28.8	Very low	177 Å²	177	138 Å²	138	95%	0.947	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-48	117.5	172	-88.8	-37.9	0	0	0	111.8
344	S	27.4	Very low	28.5	Very low	101 Å²	101	136.1 Å²	136.1	71%	0.706	78%	0.78	S	S	*	*			trans	-141	117.5	157.6	-175	0	0	0	0	108.6	D342 D346	D342-S344 PolarHBondContact O-N 3.25Å; S344-D346 PolarHBondContact O-N 3.5Å
345	P	33.8	Very low	28.7	Very low	117 Å²	117	134.6 Å²	134.6	76%	0.76	77%	0.771	S	S	*	*			trans	-92.2	87.1	179.3	34.3	-24.7	0	0	0	107.4
346	D	27.9	Very low	29	Very low	159 Å²	159	133.9 Å²	133.9	85%	0.85	77%	0.766	S	S	*	*			trans	179.7	78.9	158.3	-89.5	-23.3	0	0	0	110	S344	S344-D346 PolarHBondContact O-N 3.5Å
347	S	29.5	Very low	29.4	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	77%	0.768	S	S	*	*			trans	-166.8	110.1	151.8	45.6	0	0	0	0	110.5	H349	S347-H349 PolarHBondContact O-N 3.05Å
348	T	27.3	Very low	30.2	Very low	143 Å²	143	137.3 Å²	137.3	88%	0.877	75%	0.747	S	S	*	*			trans	-72.9	72.3	170.3	30.7	0	0	0	0	110.3
349	H	26.1	Very low	31.2	Very low	168 Å²	168	134.5 Å²	134.5	78%	0.778	72%	0.72	S	S	*	*			trans	-139.6	118.9	169.7	-87.3	-83.7	0	0	0	112.4	S347	S347-H349 PolarHBondContact O-N 3.05Å
350	M	27.4	Very low	32.8	Very low	147 Å²	147	131.3 Å²	131.3	72%	0.724	71%	0.708	S	S	*	*			trans	48.5	90.1	158.3	-63.8	-92.2	57.6	0	0	116	V352	M350-V352 VanDerWaalsContact C-N 3.33Å; M350-V352 PolarHBondContact O-N 2.83Å
351	A	25	Very low	35.2	Very low	70 Å²	70	120.2 Å²	120.2	58%	0.579	67%	0.667	S	S	*	*			trans	-55.8	99	159.5	0	0	0	0	0	109.1	F353	A351-F353 WeakPolarHBondContact O-CD2 3.49Å; A351-F353 PolarHBondContact O-N 3.23Å
352	V	28.6	Very low	37.9	Very low	136 Å²	136	113.5 Å²	113.5	82%	0.824	63%	0.631	S	S	*	*			trans	-63.2	91.2	157.9	178.6	0	0	0	0	104.8	M350 S354	M350-V352 VanDerWaalsContact C-N 3.33Å; M350-V352 PolarHBondContact O-N 2.83Å; V352-S354 PolarHBondContact O-N 3.35Å
353	F	28.7	Very low	40.8	Very low	164 Å²	164	106.2 Å²	106.2	72%	0.719	59%	0.592	S	S	*	*			trans	-51	114.7	177.5	-71.9	-83.1	0	0	0	108	A351 C355	A351-F353 WeakPolarHBondContact O-CD2 3.49Å; A351-F353 PolarHBondContact O-N 3.23Å; F353-C355 PolarHBondContact O-N 3.39Å
354	S	28.2	Very low	43.8	Very low	112 Å²	112	97.8 Å²	97.8	78%	0.783	55%	0.547	S	S	*	.			trans	-59.4	93.8	166	-90.7	0	0	0	0	107.8	V352 S356	V352-S354 PolarHBondContact O-N 3.35Å; S354-S356 PolarHBondContact O-N 2.93Å; S354-S356 PolarHBondContact O-OG 3.43Å
355	C	34.9	Very low	47.1	Very low	81 Å²	81	93 Å²	93	55%	0.547	51%	0.514	S	S	.	.			trans	-74.6	51.8	179.2	-103.2	0	0	0	0	111.8	F353 R357 L358	F353-C355 PolarHBondContact O-N 3.39Å; C355-R357 PolarHBondContact O-N 3.3Å; C355-L358 HydrophobicContact CB-CD1 3.56Å; C355-L358 HydrophobicContact CB-CG 3.77Å; C355-L358 WeakPolarHBondContact SG-CD1 3.34Å; C355-L358 WeakPolarHBondContact SG-CG 3.42Å
356	S	36.5	Very low	50	Low	107 Å²	107	87.4 Å²	87.4	75%	0.748	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	1.7	177.1	48.2	0	0	0	0	113.3	S354	S354-S356 PolarHBondContact O-N 2.93Å; S354-S356 PolarHBondContact O-OG 3.43Å
357	R	36.7	Very low	53.3	Low	188 Å²	188	79.9 Å²	79.9	71%	0.709	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	26.8	177.8	-56.5	-170.6	-165.6	-168.4	4.6	114.2	C355 T359	C355-R357 PolarHBondContact O-N 3.3Å; R357-T359 PolarHBondContact O-N 3.25Å
358	L	45	Very low	56.3	Low	47 Å²	47	75.8 Å²	75.8	25%	0.246	41%	0.407	C	S	.	.			trans	-75.4	115.3	169.4	-66.8	177.1	0	0	0	108.5	I226 Q227 C355 R360	I226-L358 HydrophobicContact CD1-CD1 4.39Å; I226-L358 HydrophobicContact CG1-CD1 4.42Å; I226-L358 HydrophobicContact CG2-CD1 3.48Å; I226-L358 VanDerWaalsContact CG2-CD1 3.48Å; I226-L358 HydrophobicContact CG2-CD2 3.72Å; I226-L358 HydrophobicContact CG2-CG 4.11Å; Q227-L358 WeakPolarHBondContact O-CD2 3.25Å; C355-L358 HydrophobicContact CB-CD1 3.56Å; C355-L358 HydrophobicContact CB-CG 3.77Å; C355-L358 WeakPolarHBondContact SG-CD1 3.34Å; C355-L358 WeakPolarHBondContact SG-CG 3.42Å; L358-R360 PolarHBondContact O-N 3.33Å; L358-R360 VanDerWaalsContact O-N 3.16Å
359	T	50	Low	59.5	Low	37 Å²	37	69.1 Å²	69.1	23%	0.227	37%	0.366	C	S	.	.			trans	-58.5	119.4	167.9	31.3	0	0	0	0	108.8	E126 E229 R357 L361	E126-T359 WeakPolarHBondContact OE1-CA 3.46Å; E229-T359 WeakPolarHBondContact OE1-CB 3.49Å; E229-T359 WeakPolarHBondContact OE1-CG2 3.14Å; E229-T359 PolarHBondContact OE1-OG1 2.76Å; R357-T359 PolarHBondContact O-N 3.25Å; T359-L361 VanDerWaalsContact C-N 3.27Å; T359-L361 PolarHBondContact O-N 3.38Å
360	R	62.3	Low	62.6	Low	142 Å²	142	63.8 Å²	63.8	54%	0.536	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	83.3	178.2	-78.5	-177.6	168.9	171.2	1.4	109.5	E126 L358	E126-R360 HydrophobicContact CG-CB 4.26Å; E126-R360 PolarHBondContact OE1-N 2.96Å; L358-R360 PolarHBondContact O-N 3.33Å; L358-R360 VanDerWaalsContact O-N 3.16Å
361	L	76.9	Confident	65.4	Low	11 Å²	11	57.5 Å²	57.5	6%	0.058	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136.5	171.3	-75.2	154.5	0	0	0	109.8	R123 N125 C225 Q227 T359	R123-L361 HydrophobicContact CG-CD2 3.97Å; N125-L361 HydrophobicContact CB-CD2 4.1Å; C225-L361 PolarHBondContact N-O 3.29Å; Q227-L361 HydrophobicContact CB-CD1 3.73Å; Q227-L361 HydrophobicContact CG-CD1 4.47Å; T359-L361 VanDerWaalsContact C-N 3.27Å; T359-L361 PolarHBondContact O-N 3.38Å
362	Q	85.8	Confident	68.2	Low	19 Å²	19	58.3 Å²	58.3	9%	0.089	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.9	173.4	-64.8	176.5	7.8	0	0	109.2	R123 E124 F194 M199 I222	R123-Q362 WeakPolarHBondContact CA-O 3.36Å; E124-Q362 PolarHBondContact N-O 3.4Å; E124-Q362 PolarHBondContact O-N 2.74Å; F194-Q362 HydrophobicContact CE1-CB 4.08Å; M199-Q362 PolarHBondContact O-NE2 3.17Å; M199-Q362 VanDerWaalsContact O-NE2 3.1Å; I222-Q362 HydrophobicContact CG2-CB 4.33Å
363	L	90.6	Very high	70.7	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.4	171.8	-66.3	177.2	0	0	0	108.9	F122 R123 L133 I222 F223 C225 L407 Y410	F122-L363 WeakPolarHBondContact O-CA 3.4Å; R123-L363 HydrophobicContact CB-CD2 4.08Å; R123-L363 HydrophobicContact CG-CD2 4.07Å; L133-L363 HydrophobicContact CD1-CD2 3.68Å; I222-L363 VanDerWaalsContact CA-O 3.31Å; I222-L363 WeakPolarHBondContact CA-O 3.3Å; I222-L363 WeakPolarHBondContact CG2-O 3.45Å; F223-L363 HydrophobicContact CD2-CB 4.05Å; F223-L363 HydrophobicContact CE1-CB 4.28Å; F223-L363 HydrophobicContact CE2-CB 3.53Å; F223-L363 HydrophobicContact CE2-CD1 3.72Å; F223-L363 HydrophobicContact CE2-CG 4.22Å; F223-L363 HydrophobicContact CZ-CB 3.65Å; F223-L363 HydrophobicContact CZ-CD1 4.28Å; F223-L363 PolarHBondContact N-O 3.17Å; F223-L363 PolarHBondContact O-N 3.01Å; C225-L363 HydrophobicContact CB-CD1 3.88Å; C225-L363 HydrophobicContact CB-CG 3.93Å; L363-L407 HydrophobicContact CD1-CD2 4.22Å; L363-Y410 HydrophobicContact CD1-CD2 4.19Å; L363-Y410 HydrophobicContact CD1-CE2 4.34Å; L363-Y410 HydrophobicContact CD1-CG 4.44Å; L363-Y410 HydrophobicContact CD2-CE2 4.03Å
364	G	92.1	Very high	73.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	114.4	-179.6	0	0	0	0	0	110.5	F122 K221	F122-G364 PolarHBondContact N-O 3.45Å; F122-G364 PolarHBondContact O-N 3.28Å; K221-G364 CarbonylContact O-C 3.45Å; K221-G364 WeakPolarHBondContact O-CA 3.5Å
365	I	95.4	Very high	75.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.2	169.7	-68	167.3	0	0	0	108.2	L119 L121 S220 K221 F223 V367 L399 L402 Q403 I406	L119-I365 HydrophobicContact CD1-CG2 3.67Å; L121-I365 HydrophobicContact CD1-CG1 3.84Å; S220-I365 CarbonylContact C-O 3.59Å; S220-I365 VanDerWaalsContact CA-O 3.22Å; S220-I365 WeakPolarHBondContact CA-O 3.33Å; K221-I365 HydrophobicContact CB-CB 4.37Å; K221-I365 PolarHBondContact N-O 3.39Å; K221-I365 PolarHBondContact O-N 3.5Å; F223-I365 HydrophobicContact CE1-CD1 3.5Å; F223-I365 HydrophobicContact CE1-CG1 3.76Å; F223-I365 HydrophobicContact CZ-CD1 3.88Å; F223-I365 HydrophobicContact CZ-CG1 4.15Å; I365-V367 HydrophobicContact CG2-CG2 3.91Å; I365-L399 HydrophobicContact CG2-CD1 3.88Å; I365-L402 HydrophobicContact CD1-CG 4.49Å; I365-L402 HydrophobicContact CG2-CD2 4.42Å; I365-Q403 HydrophobicContact CD1-CB 4.01Å; I365-I406 HydrophobicContact CD1-CD1 3.57Å; I365-I406 HydrophobicContact CG1-CD1 3.86Å
366	G	94.9	Very high	78.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.7	166.8	0	0	0	0	0	110.1	V120 L219	V120-G366 PolarHBondContact N-O 3.38Å; V120-G366 PolarHBondContact O-N 3.3Å; L219-G366 WeakPolarHBondContact O-CA 3.36Å
367	V	96.4	Very high	80.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.5	175	179	0	0	0	0	108.7	I117 R118 L119 M218 L219 I365 F369 L399 L402 W424 F427	I117-V367 HydrophobicContact CG2-CG1 3.89Å; R118-V367 CarbonylContact O-C 3.55Å; R118-V367 WeakPolarHBondContact O-CA 3.43Å; L119-V367 HydrophobicContact CD1-CG2 4.05Å; M218-V367 CarbonylContact C-O 3.48Å; M218-V367 VanDerWaalsContact CA-O 3.25Å; M218-V367 WeakPolarHBondContact CA-O 3.44Å; L219-V367 HydrophobicContact CB-CB 4.42Å; L219-V367 PolarHBondContact N-O 3.38Å; L219-V367 PolarHBondContact O-N 3.37Å; I365-V367 HydrophobicContact CG2-CG2 3.91Å; V367-F369 HydrophobicContact CG1-CE2 3.95Å; V367-F369 HydrophobicContact CG1-CZ 3.93Å; V367-L399 HydrophobicContact CG2-CD1 4.02Å; V367-L402 HydrophobicContact CG2-CD2 4.49Å; V367-W424 HydrophobicContact CG1-CH2 3.9Å; V367-W424 HydrophobicContact CG1-CZ3 3.9Å; V367-W424 HydrophobicContact CG2-CZ3 4.06Å; V367-F427 HydrophobicContact CG1-CE1 3.77Å; V367-F427 HydrophobicContact CG1-CZ 4.17Å
368	L	93.9	Very high	82.7	Confident	20 Å²	20	47.4 Å²	47.4	11%	0.105	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.4	-179.7	-66.7	83.2	0	0	0	110.1	I117 R118 V120 L189 L217 M218	I117-L368 CarbonylContact C-O 3.53Å; I117-L368 VanDerWaalsContact CA-O 3.32Å; I117-L368 WeakPolarHBondContact CA-O 3.32Å; I117-L368 VanDerWaalsContact CG2-O 3.3Å; I117-L368 WeakPolarHBondContact CG2-O 3.14Å; R118-L368 HydrophobicContact CB-CB 4.33Å; R118-L368 PolarHBondContact N-O 3.13Å; R118-L368 PolarHBondContact O-N 3.24Å; V120-L368 HydrophobicContact CG2-CD1 4.05Å; L189-L368 HydrophobicContact CD2-CD2 4.13Å; L217-L368 CarbonylContact O-C 3.58Å; L217-L368 WeakPolarHBondContact O-CA 3.29Å; M218-L368 HydrophobicContact CB-CG 4.17Å; M218-L368 HydrophobicContact CG-CD1 4.26Å; M218-L368 HydrophobicContact CG-CG 4.04Å; M218-L368 HydrophobicContact SD-CD1 3.98Å; M218-L368 HydrophobicContact SD-CG 4Å
369	F	93.9	Very high	84.6	Confident	2 Å²	2	49 Å²	49	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	106.3	168.2	-56.7	-88.3	0	0	0	108.1	I117 S216 L217 L219 V367 F371 F384 L388 F427	I117-F369 HydrophobicContact CD1-CD1 4.02Å; I117-F369 HydrophobicContact CD1-CE1 4.04Å; I117-F369 HydrophobicContact CG1-CD1 4.11Å; I117-F369 HydrophobicContact CG2-CD1 3.85Å; I117-F369 HydrophobicContact CG2-CE1 3.96Å; I117-F369 HydrophobicContact CG2-CG 4.46Å; S216-F369 VanDerWaalsContact CA-O 3.31Å; S216-F369 WeakPolarHBondContact CA-O 3.49Å; S216-F369 WeakPolarHBondContact CB-O 3.25Å; L217-F369 HydrophobicContact CB-CB 4.23Å; L217-F369 HydrophobicContact CB-CD2 4.26Å; L217-F369 HydrophobicContact CD2-CD2 4.15Å; L217-F369 PolarHBondContact N-O 3.09Å; L217-F369 PolarHBondContact O-N 2.9Å; L219-F369 HydrophobicContact CB-CE2 4.39Å; V367-F369 HydrophobicContact CG1-CE2 3.95Å; V367-F369 HydrophobicContact CG1-CZ 3.93Å; F369-F371 HydrophobicContact CB-CE2 4.5Å; F369-F371 HydrophobicContact CB-CZ 4.41Å; F369-F384 HydrophobicContact CD1-CE1 4.06Å; F369-L388 HydrophobicContact CB-CD1 4.32Å; F369-L388 HydrophobicContact CD1-CD1 3.69Å; F369-L388 HydrophobicContact CD1-CD2 4.48Å; F369-L388 HydrophobicContact CD2-CD1 4.14Å; F369-L388 HydrophobicContact CE1-CD1 3.96Å; F369-L388 HydrophobicContact CE1-CD2 3.94Å; F369-L388 HydrophobicContact CE2-CD1 4.38Å; F369-L388 HydrophobicContact CG-CD1 3.78Å; F369-L388 HydrophobicContact CZ-CD1 4.29Å; F369-L388 HydrophobicContact CZ-CD2 4.13Å; F369-F427 HydrophobicContact CZ-CE1 4.38Å; F369-F427 HydrophobicContact CZ-CZ 4.35Å
370	T	90.6	Very high	86.2	Confident	56 Å²	56	48 Å²	48	34%	0.344	27%	0.27	S	S	.	.			trans	-89.9	141.2	-179.2	-47.3	0	0	0	0	109.4	Y112 S116	Y112-T370 WeakPolarHBondContact CE2-O 3.36Å; Y112-T370 PolarHBondContact OH-N 3.45Å; Y112-T370 PolarHBondContact OH-O 3.06Å; S116-T370 PolarHBondContact O-OG1 2.68Å; S116-T370 VanDerWaalsContact O-OG1 3.12Å; S116-T370 PolarHBondContact OG-O 2.86Å
371	F	87.8	Confident	87.4	Confident	15 Å²	15	42.3 Å²	42.3	7%	0.066	25%	0.249	C	C	.	.			trans	-118.5	139.3	177.3	-59.4	-81.2	0	0	0	109.8	Y112 G215 L217 F369 N381 F384 R385	Y112-F371 HydrophobicContact CD2-CD1 4.45Å; Y112-F371 AromaticContact CE2-CD1 3.8Å; Y112-F371 HydrophobicContact CE2-CD1 3.8Å; Y112-F371 HydrophobicContact CE2-CE1 4.02Å; G215-F371 WeakPolarHBondContact O-CD2 3.24Å; G215-F371 VanDerWaalsContact O-CE2 3.24Å; G215-F371 WeakPolarHBondContact O-CE2 3.25Å; L217-F371 HydrophobicContact CB-CE2 4.31Å; F369-F371 HydrophobicContact CB-CE2 4.5Å; F369-F371 HydrophobicContact CB-CZ 4.41Å; F371-N381 HydrophobicContact CB-CB 4.12Å; F371-N381 HydrophobicContact CD1-CB 3.61Å; F371-N381 HydrophobicContact CE1-CB 4.34Å; F371-N381 HydrophobicContact CG-CB 4.11Å; F371-F384 HydrophobicContact CE1-CB 4.45Å; F371-F384 AromaticContact CE1-CD1 3.81Å; F371-F384 HydrophobicContact CE1-CD1 3.81Å; F371-F384 HydrophobicContact CZ-CD1 4.38Å; F371-R385 HydrophobicContact CE1-CB 4.48Å; F371-R385 HydrophobicContact CZ-CB 4.11Å
372	E	82.6	Confident	87.8	Confident	87 Å²	87	44.8 Å²	44.8	41%	0.407	26%	0.263	S	S	.	.			trans	-70.9	135.3	174.1	-70.8	-176.6	-140.2	0	0	110.2	D374 K377 N381	E372-D374 PolarHBondContact O-N 2.8Å; E372-K377 HydrophobicContact CB-CD 4.17Å; E372-K377 IonicContact OE1-NZ 3.38Å; E372-K377 PolarHBondContact OE1-NZ 3.39Å; E372-K377 VanDerWaalsContact OE2-CD 3.3Å; E372-K377 WeakPolarHBondContact OE2-CD 3.44Å; E372-K377 WeakPolarHBondContact OE2-CE 3.47Å; E372-K377 IonicContact OE2-NZ 3.4Å; E372-K377 PolarHBondContact OE2-NZ 3.25Å; E372-N381 PolarHBondContact O-ND2 2.71Å
373	Q	80.6	Confident	87.8	Confident	151 Å²	151	46.7 Å²	46.7	71%	0.706	27%	0.27	S	S	*	.			trans	-84.5	8.1	-176.3	-63.6	-178.1	9.6	0	0	113.9	P375	Q373-P375 WeakPolarHBondContact O-CD 3.27Å
374	D	83.8	Confident	87.8	Confident	76 Å²	76	46.7 Å²	46.7	41%	0.406	27%	0.27	S	S	.	.			trans	-64.8	123.1	176.1	-175.3	-10.5	0	0	0	109.5	E372 S376 K377 A378	E372-D374 PolarHBondContact O-N 2.8Å; D374-S376 PolarHBondContact O-N 2.89Å; D374-S376 VanDerWaalsContact O-N 3.09Å; D374-S376 PolarHBondContact OD1-N 3Å; D374-S376 PolarHBondContact OD1-OG 3.22Å; D374-S376 VanDerWaalsContact OD1-OG 3.11Å; D374-S376 PolarHBondContact OD2-OG 3.14Å; D374-K377 PolarHBondContact O-N 3.4Å; D374-A378 PolarHBondContact O-N 3.26Å
375	P	82.2	Confident	87.7	Confident	112 Å²	112	49.5 Å²	49.5	73%	0.727	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-54.5	-28.4	177.3	22.3	-35.1	0	0	0	113.1	Q373 K377 A378	Q373-P375 WeakPolarHBondContact O-CD 3.27Å; P375-K377 PolarHBondContact O-N 3.46Å; P375-A378 WeakPolarHBondContact O-CB 3.49Å; P375-A378 PolarHBondContact O-N 3.45Å
376	S	84.3	Confident	87.3	Confident	90 Å²	90	56 Å²	56	63%	0.629	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-63.8	-28.8	176.5	74.6	0	0	0	0	113.2	D374	D374-S376 PolarHBondContact O-N 2.89Å; D374-S376 VanDerWaalsContact O-N 3.09Å; D374-S376 PolarHBondContact OD1-N 3Å; D374-S376 PolarHBondContact OD1-OG 3.22Å; D374-S376 VanDerWaalsContact OD1-OG 3.11Å; D374-S376 PolarHBondContact OD2-OG 3.14Å
377	K	84.2	Confident	87.1	Confident	77 Å²	77	56.1 Å²	56.1	34%	0.335	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-98.5	-2.1	-179.1	-66.2	-176.4	177.6	178.7	0	113.4	E372 D374 P375 A379 A380 N381	E372-K377 HydrophobicContact CB-CD 4.17Å; E372-K377 IonicContact OE1-NZ 3.38Å; E372-K377 PolarHBondContact OE1-NZ 3.39Å; E372-K377 VanDerWaalsContact OE2-CD 3.3Å; E372-K377 WeakPolarHBondContact OE2-CD 3.44Å; E372-K377 WeakPolarHBondContact OE2-CE 3.47Å; E372-K377 IonicContact OE2-NZ 3.4Å; E372-K377 PolarHBondContact OE2-NZ 3.25Å; D374-K377 PolarHBondContact O-N 3.4Å; P375-K377 PolarHBondContact O-N 3.46Å; K377-A379 VanDerWaalsContact C-N 3.31Å; K377-A379 PolarHBondContact O-N 3.47Å; K377-A380 WeakPolarHBondContact O-CB 3.38Å; K377-A380 PolarHBondContact O-N 2.94Å; K377-N381 VanDerWaalsContact O-CG 3.28Å; K377-N381 PolarHBondContact O-N 3.32Å; K377-N381 PolarHBondContact O-ND2 2.93Å
378	A	83.6	Confident	86.8	Confident	54 Å²	54	56.3 Å²	56.3	45%	0.446	31%	0.306	S	S	.	.	H	α-helix	trans	-56.8	-42.1	-176.3	0	0	0	0	0	113	D374 P375 N381 D382	D374-A378 PolarHBondContact O-N 3.26Å; P375-A378 WeakPolarHBondContact O-CB 3.49Å; P375-A378 PolarHBondContact O-N 3.45Å; A378-N381 PolarHBondContact O-N 2.99Å; A378-D382 PolarHBondContact O-N 3.31Å
379	A	83.7	Confident	86.7	Confident	79 Å²	79	59.1 Å²	59.1	65%	0.653	32%	0.321	S	S	*	.	H	α-helix	trans	-65.2	-39.7	176.4	0	0	0	0	0	112.4	K377 D382 Y383	K377-A379 VanDerWaalsContact C-N 3.31Å; K377-A379 PolarHBondContact O-N 3.47Å; A379-D382 PolarHBondContact O-N 3.11Å; A379-Y383 WeakPolarHBondContact O-CB 3.33Å; A379-Y383 PolarHBondContact O-N 3.21Å
380	A	85.3	Confident	86.4	Confident	18 Å²	18	60 Å²	60	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-42.3	176.3	0	0	0	0	0	111.8	P110 K377 Y383 F384	P110-A380 HydrophobicContact CB-CB 3.4Å; P110-A380 VanDerWaalsContact CB-CB 3.4Å; K377-A380 WeakPolarHBondContact O-CB 3.38Å; K377-A380 PolarHBondContact O-N 2.94Å; A380-Y383 WeakPolarHBondContact O-CB 3.33Å; A380-Y383 PolarHBondContact O-N 3.15Å; A380-F384 PolarHBondContact O-N 2.75Å
381	N	86.3	Confident	86.4	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.112	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-44.3	176.6	-66.9	-28.9	0	0	0	111.8	F371 E372 K377 A378 Y383 F384 R385	F371-N381 HydrophobicContact CB-CB 4.12Å; F371-N381 HydrophobicContact CD1-CB 3.61Å; F371-N381 HydrophobicContact CE1-CB 4.34Å; F371-N381 HydrophobicContact CG-CB 4.11Å; E372-N381 PolarHBondContact O-ND2 2.71Å; K377-N381 VanDerWaalsContact O-CG 3.28Å; K377-N381 PolarHBondContact O-N 3.32Å; K377-N381 PolarHBondContact O-ND2 2.93Å; A378-N381 PolarHBondContact O-N 2.99Å; N381-Y383 VanDerWaalsContact C-N 3.34Å; N381-F384 PolarHBondContact O-N 3.2Å; N381-R385 WeakPolarHBondContact O-CB 3.33Å; N381-R385 PolarHBondContact O-N 3.39Å
382	D	85.2	Confident	86.5	Confident	64 Å²	64	58.4 Å²	58.4	34%	0.342	32%	0.315	S	S	.	.	H	α-helix	trans	-64.8	-39.4	176.9	-172.4	52.1	0	0	0	111.5	A378 A379 R385 R386	A378-D382 PolarHBondContact O-N 3.31Å; A379-D382 PolarHBondContact O-N 3.11Å; D382-R385 PolarHBondContact O-N 2.81Å; D382-R386 WeakPolarHBondContact O-CG 3.39Å; D382-R386 PolarHBondContact O-N 2.86Å; D382-R386 IonicContact OD1-NE 2.98Å; D382-R386 IonicContact OD2-CZ 2.66Å; D382-R386 IonicContact OD2-NE 3.56Å; D382-R386 PolarHBondContact OD2-NE 2.98Å; D382-R386 IonicContact OD2-NH2 3.03Å; D382-R386 PolarHBondContact OD2-NH2 2.89Å
383	Y	87.2	Confident	86.6	Confident	58 Å²	58	56 Å²	56	23%	0.227	30%	0.304	C	S	.	.	H	α-helix	trans	-56.1	-55.2	171.7	-175.1	-70.3	0	0	0	111.3	Y109 P110 A379 A380 N381 R385 R386 F387 Y435 I867	Y109-Y383 AromaticContact CD1-CE1 3.88Å; Y109-Y383 HydrophobicContact CD1-CE1 3.88Å; Y109-Y383 AromaticContact CD1-CZ 3.8Å; Y109-Y383 VanDerWaalsContact CD1-OH 3.22Å; Y109-Y383 WeakPolarHBondContact CD1-OH 3.38Å; Y109-Y383 WeakPolarHBondContact CE1-OH 3.02Å; P110-Y383 HydrophobicContact CG-CD1 4.21Å; P110-Y383 HydrophobicContact CG-CD2 3.82Å; P110-Y383 HydrophobicContact CG-CE2 4.33Å; P110-Y383 HydrophobicContact CG-CG 3.79Å; A379-Y383 WeakPolarHBondContact O-CB 3.33Å; A379-Y383 PolarHBondContact O-N 3.21Å; A380-Y383 WeakPolarHBondContact O-CB 3.33Å; A380-Y383 PolarHBondContact O-N 3.15Å; N381-Y383 VanDerWaalsContact C-N 3.34Å; Y383-R385 VanDerWaalsContact C-N 3.27Å; Y383-R385 PolarHBondContact O-N 2.92Å; Y383-R386 PolarHBondContact O-N 2.95Å; Y383-F387 WeakPolarHBondContact O-CB 3.26Å; Y383-F387 PolarHBondContact O-N 3.43Å; Y383-Y435 AromaticContact CD1-CE2 3.73Å; Y383-Y435 HydrophobicContact CD1-CE2 3.73Å; Y383-Y435 AromaticContact CD1-CZ 3.89Å; Y383-Y435 WeakPolarHBondContact CD1-OH 3.43Å; Y383-Y435 AromaticContact CE1-CE2 3.56Å; Y383-Y435 HydrophobicContact CE1-CE2 3.56Å; Y383-Y435 AromaticContact CE1-CZ 3.91Å; Y383-Y435 WeakPolarHBondContact CE1-OH 3.24Å; Y383-I867 HydrophobicContact CD1-CD1 3.82Å; Y383-I867 HydrophobicContact CD2-CD1 3.13Å; Y383-I867 HydrophobicContact CD2-CG1 4.05Å; Y383-I867 HydrophobicContact CE1-CD1 3.73Å; Y383-I867 HydrophobicContact CE1-CG1 4.22Å; Y383-I867 HydrophobicContact CE2-CD1 3.03Å; Y383-I867 HydrophobicContact CE2-CG1 3.41Å; Y383-I867 VanDerWaalsContact CE2-CG1 3.41Å; Y383-I867 HydrophobicContact CG-CD1 3.5Å; Y383-I867 VanDerWaalsContact CZ-CG1 3.47Å
384	F	89.9	Confident	87	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-37.2	-177.9	-175.6	-115.5	0	0	0	111.7	Y112 F114 F369 F371 A380 N381 F387 L388 I431 Y435	Y112-F384 AromaticContact CD1-CD1 3.95Å; Y112-F384 HydrophobicContact CD1-CD1 3.95Å; Y112-F384 HydrophobicContact CD1-CD2 4.48Å; Y112-F384 AromaticContact CD1-CE1 3.64Å; Y112-F384 HydrophobicContact CD1-CE1 3.64Å; Y112-F384 HydrophobicContact CD1-CE2 4.22Å; Y112-F384 HydrophobicContact CD1-CG 4.37Å; Y112-F384 AromaticContact CD1-CZ 3.8Å; Y112-F384 HydrophobicContact CD1-CZ 3.8Å; Y112-F384 HydrophobicContact CD2-CB 4.38Å; Y112-F384 AromaticContact CD2-CD1 3.69Å; Y112-F384 HydrophobicContact CD2-CD1 3.69Å; Y112-F384 HydrophobicContact CD2-CE1 4.17Å; Y112-F384 HydrophobicContact CD2-CG 4.07Å; Y112-F384 AromaticContact CE1-CD1 3.94Å; Y112-F384 HydrophobicContact CE1-CD1 3.94Å; Y112-F384 AromaticContact CE1-CE1 3.39Å; Y112-F384 HydrophobicContact CE1-CE1 3.39Å; Y112-F384 AromaticContact CE1-CZ 3.83Å; Y112-F384 HydrophobicContact CE1-CZ 3.83Å; Y112-F384 AromaticContact CE2-CD1 3.69Å; Y112-F384 HydrophobicContact CE2-CD1 3.69Å; Y112-F384 AromaticContact CE2-CE1 3.97Å; Y112-F384 HydrophobicContact CE2-CE1 3.97Å; Y112-F384 AromaticContact CG-CD1 3.82Å; Y112-F384 HydrophobicContact CG-CD1 3.82Å; Y112-F384 HydrophobicContact CG-CD2 4.33Å; Y112-F384 HydrophobicContact CG-CE1 4.02Å; Y112-F384 AromaticContact CG-CG 3.99Å; Y112-F384 HydrophobicContact CG-CG 3.99Å; Y112-F384 HydrophobicContact CG-CZ 4.38Å; Y112-F384 AromaticContact CZ-CD1 3.82Å; Y112-F384 AromaticContact CZ-CE1 3.57Å; F114-F384 HydrophobicContact CE1-CE2 4.13Å; F114-F384 HydrophobicContact CE1-CZ 4.15Å; F114-F384 HydrophobicContact CZ-CE2 4.39Å; F369-F384 HydrophobicContact CD1-CE1 4.06Å; F371-F384 HydrophobicContact CE1-CB 4.45Å; F371-F384 AromaticContact CE1-CD1 3.81Å; F371-F384 HydrophobicContact CE1-CD1 3.81Å; F371-F384 HydrophobicContact CZ-CD1 4.38Å; A380-F384 PolarHBondContact O-N 2.75Å; N381-F384 PolarHBondContact O-N 3.2Å; F384-F387 HydrophobicContact CD2-CD1 4.42Å; F384-F387 HydrophobicContact CE2-CD1 4.41Å; F384-F387 WeakPolarHBondContact O-CB 2.85Å; F384-F387 PolarHBondContact O-N 3.26Å; F384-L388 HydrophobicContact CD1-CD1 3.88Å; F384-L388 HydrophobicContact CD1-CG 4.33Å; F384-L388 HydrophobicContact CE1-CD1 3.48Å; F384-L388 VanDerWaalsContact CE1-CD1 3.48Å; F384-L388 HydrophobicContact CE1-CD2 4.38Å; F384-L388 HydrophobicContact CE1-CG 3.95Å; F384-L388 HydrophobicContact CE2-CD2 4.48Å; F384-L388 HydrophobicContact CE2-CG 4.35Å; F384-L388 HydrophobicContact CZ-CD1 3.96Å; F384-L388 HydrophobicContact CZ-CD2 4Å; F384-L388 HydrophobicContact CZ-CG 3.96Å; F384-L388 WeakPolarHBondContact O-CG 3.3Å; F384-L388 PolarHBondContact O-N 3.02Å; F384-I431 HydrophobicContact CE2-CG2 4.41Å; F384-I431 HydrophobicContact CZ-CG2 4.02Å; F384-Y435 HydrophobicContact CD2-CD1 4.3Å; F384-Y435 AromaticContact CD2-CD2 3.62Å; F384-Y435 HydrophobicContact CD2-CD2 3.62Å; F384-Y435 HydrophobicContact CD2-CE1 4.27Å; F384-Y435 AromaticContact CD2-CE2 3.59Å; F384-Y435 HydrophobicContact CD2-CE2 3.59Å; F384-Y435 AromaticContact CD2-CG 3.97Å; F384-Y435 HydrophobicContact CD2-CG 3.97Å; F384-Y435 AromaticContact CD2-CZ 3.93Å; F384-Y435 HydrophobicContact CE2-CD1 4.44Å; F384-Y435 AromaticContact CE2-CD2 3.94Å; F384-Y435 HydrophobicContact CE2-CD2 3.94Å; F384-Y435 HydrophobicContact CE2-CE2 4.37Å; F384-Y435 AromaticContact CE2-CG 3.96Å; F384-Y435 HydrophobicContact CE2-CG 3.96Å
385	R	88.9	Confident	87.4	Confident	59 Å²	59	45.3 Å²	45.3	22%	0.223	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-47.8	175.1	-179.3	-173.9	176.3	149.7	4.2	112.4	H210 F371 N381 D382 Y383 F387 L388 L389	H210-R385 PolarHBondContact CD2-NH1 2.95Å; H210-R385 PolarHBondContact CD2-NH2 2.83Å; H210-R385 VanDerWaalsContact CD2-NH2 3.26Å; H210-R385 PolarHBondContact CE1-NH1 2.78Å; H210-R385 VanDerWaalsContact CE1-NH1 3.35Å; H210-R385 PolarHBondContact CE1-NH2 2.95Å; H210-R385 VanDerWaalsContact CE1-NH2 3.3Å; H210-R385 PolarHBondContact ND1-NH2 2.77Å; H210-R385 VanDerWaalsContact ND1-NH2 3.11Å; H210-R385 PolarHBondContact NE2-NH1 2.83Å; H210-R385 PolarHBondContact NE2-NH2 3.04Å; F371-R385 HydrophobicContact CE1-CB 4.48Å; F371-R385 HydrophobicContact CZ-CB 4.11Å; N381-R385 WeakPolarHBondContact O-CB 3.33Å; N381-R385 PolarHBondContact O-N 3.39Å; D382-R385 PolarHBondContact O-N 2.81Å; Y383-R385 VanDerWaalsContact C-N 3.27Å; Y383-R385 PolarHBondContact O-N 2.92Å; R385-F387 VanDerWaalsContact C-N 3.28Å; R385-F387 PolarHBondContact O-N 3.38Å; R385-L388 PolarHBondContact O-N 2.95Å; R385-L389 HydrophobicContact CG-CD1 4.35Å; R385-L389 WeakPolarHBondContact O-CG 3.29Å; R385-L389 PolarHBondContact O-N 2.64Å; R385-L389 VanDerWaalsContact O-N 3.13Å
386	R	87.9	Confident	87.6	Confident	138 Å²	138	42.1 Å²	42.1	52%	0.521	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-41.6	177.1	-70.3	174.9	-168.2	-167.7	3.3	110.7	D382 Y383 L389 L390	D382-R386 WeakPolarHBondContact O-CG 3.39Å; D382-R386 PolarHBondContact O-N 2.86Å; D382-R386 IonicContact OD1-NE 2.98Å; D382-R386 IonicContact OD2-CZ 2.66Å; D382-R386 IonicContact OD2-NE 3.56Å; D382-R386 PolarHBondContact OD2-NE 2.98Å; D382-R386 IonicContact OD2-NH2 3.03Å; D382-R386 PolarHBondContact OD2-NH2 2.89Å; Y383-R386 PolarHBondContact O-N 2.95Å; R386-L389 PolarHBondContact O-N 3.23Å; R386-L390 WeakPolarHBondContact O-CB 3.37Å; R386-L390 PolarHBondContact O-N 2.88Å
387	F	90.6	Very high	87.8	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-51.2	174.3	176.4	-89.5	0	0	0	112.2	Y383 F384 R385 L389 L390 H391 L434 Y435 I867	Y383-F387 WeakPolarHBondContact O-CB 3.26Å; Y383-F387 PolarHBondContact O-N 3.43Å; F384-F387 HydrophobicContact CD2-CD1 4.42Å; F384-F387 HydrophobicContact CE2-CD1 4.41Å; F384-F387 WeakPolarHBondContact O-CB 2.85Å; F384-F387 PolarHBondContact O-N 3.26Å; R385-F387 VanDerWaalsContact C-N 3.28Å; R385-F387 PolarHBondContact O-N 3.38Å; F387-L389 VanDerWaalsContact C-N 3.28Å; F387-L389 PolarHBondContact O-N 2.7Å; F387-L390 PolarHBondContact O-N 3.03Å; F387-H391 AromaticContact CD2-CD2 3.47Å; F387-H391 VanDerWaalsContact CD2-CD2 3.47Å; F387-H391 WeakPolarHBondContact CD2-CD2 3.47Å; F387-H391 AromaticContact CD2-NE2 3.71Å; F387-H391 AromaticContact CE2-CD2 3.33Å; F387-H391 WeakPolarHBondContact CE2-CD2 3.37Å; F387-H391 AromaticContact CE2-NE2 3.38Å; F387-H391 WeakPolarHBondContact CE2-NE2 3.47Å; F387-H391 AromaticContact CG-CD2 3.89Å; F387-H391 AromaticContact CZ-CD2 3.63Å; F387-H391 PolarHBondContact O-CD2 2.9Å; F387-H391 VanDerWaalsContact O-CD2 3.24Å; F387-H391 PolarHBondContact O-N 3.4Å; F387-L434 HydrophobicContact CE1-CD2 4.45Å; F387-L434 HydrophobicContact CE1-CG 4.34Å; F387-L434 HydrophobicContact CZ-CD2 4.37Å; F387-L434 HydrophobicContact CZ-CG 3.88Å; F387-Y435 HydrophobicContact CB-CD2 4.42Å; F387-Y435 HydrophobicContact CB-CE2 4.29Å; F387-Y435 AromaticContact CD1-CD2 3.58Å; F387-Y435 HydrophobicContact CD1-CD2 3.58Å; F387-Y435 HydrophobicContact CD1-CE2 4.26Å; F387-Y435 AromaticContact CD2-CD2 3.99Å; F387-Y435 HydrophobicContact CD2-CD2 3.99Å; F387-Y435 HydrophobicContact CD2-CE2 4.35Å; F387-Y435 AromaticContact CE1-CD2 3.68Å; F387-Y435 HydrophobicContact CE1-CD2 3.68Å; F387-Y435 HydrophobicContact CE1-CG 4.31Å; F387-Y435 HydrophobicContact CE2-CD2 4.06Å; F387-Y435 AromaticContact CG-CD2 3.73Å; F387-Y435 HydrophobicContact CG-CD2 3.73Å; F387-Y435 HydrophobicContact CG-CE2 4.05Å; F387-Y435 AromaticContact CZ-CD2 3.9Å; F387-Y435 HydrophobicContact CZ-CD2 3.9Å; F387-I867 HydrophobicContact CB-CG2 4.48Å
388	L	91.4	Very high	88.1	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-57.4	-41.1	178.2	-78.2	174.3	0	0	0	112.5	L217 F369 F384 R385 M392 V395 I431	L217-L388 HydrophobicContact CD2-CD1 4.38Å; F369-L388 HydrophobicContact CB-CD1 4.32Å; F369-L388 HydrophobicContact CD1-CD1 3.69Å; F369-L388 HydrophobicContact CD1-CD2 4.48Å; F369-L388 HydrophobicContact CD2-CD1 4.14Å; F369-L388 HydrophobicContact CE1-CD1 3.96Å; F369-L388 HydrophobicContact CE1-CD2 3.94Å; F369-L388 HydrophobicContact CE2-CD1 4.38Å; F369-L388 HydrophobicContact CG-CD1 3.78Å; F369-L388 HydrophobicContact CZ-CD1 4.29Å; F369-L388 HydrophobicContact CZ-CD2 4.13Å; F384-L388 HydrophobicContact CD1-CD1 3.88Å; F384-L388 HydrophobicContact CD1-CG 4.33Å; F384-L388 HydrophobicContact CE1-CD1 3.48Å; F384-L388 VanDerWaalsContact CE1-CD1 3.48Å; F384-L388 HydrophobicContact CE1-CD2 4.38Å; F384-L388 HydrophobicContact CE1-CG 3.95Å; F384-L388 HydrophobicContact CE2-CD2 4.48Å; F384-L388 HydrophobicContact CE2-CG 4.35Å; F384-L388 HydrophobicContact CZ-CD1 3.96Å; F384-L388 HydrophobicContact CZ-CD2 4Å; F384-L388 HydrophobicContact CZ-CG 3.96Å; F384-L388 WeakPolarHBondContact O-CG 3.3Å; F384-L388 PolarHBondContact O-N 3.02Å; R385-L388 PolarHBondContact O-N 2.95Å; L388-M392 PolarHBondContact O-N 2.79Å; L388-V395 HydrophobicContact CD2-CG2 4.15Å; L388-I431 HydrophobicContact CD2-CG2 4.16Å
389	L	89.9	Confident	88.5	Confident	80 Å²	80	32.6 Å²	32.6	42%	0.419	17%	0.165	S	C	.	.	H	α-helix	trans	-73	-35.8	-179.8	-66.1	175.9	0	0	0	112.5	R385 R386 F387 M392	R385-L389 HydrophobicContact CG-CD1 4.35Å; R385-L389 WeakPolarHBondContact O-CG 3.29Å; R385-L389 PolarHBondContact O-N 2.64Å; R385-L389 VanDerWaalsContact O-N 3.13Å; R386-L389 PolarHBondContact O-N 3.23Å; F387-L389 VanDerWaalsContact C-N 3.28Å; F387-L389 PolarHBondContact O-N 2.7Å; L389-M392 HydrophobicContact CD2-CE 3.87Å; L389-M392 WeakPolarHBondContact O-CB 3.39Å
390	L	89	Confident	88.8	Confident	21 Å²	21	29.5 Å²	29.5	11%	0.11	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-40.7	174.3	-177.4	71.5	0	0	0	111.5	R386 F387 M392 I867 L870	R386-L390 WeakPolarHBondContact O-CB 3.37Å; R386-L390 PolarHBondContact O-N 2.88Å; F387-L390 PolarHBondContact O-N 3.03Å; L390-M392 VanDerWaalsContact C-N 3.31Å; L390-M392 PolarHBondContact O-N 2.89Å; L390-I867 HydrophobicContact CD2-CG2 4.05Å; L390-I867 VanDerWaalsContact CD2-O 3.27Å; L390-I867 WeakPolarHBondContact CD2-O 3.3Å; L390-L870 HydrophobicContact CD1-CD1 4.05Å; L390-L870 HydrophobicContact CD1-CG 4.08Å; L390-L870 HydrophobicContact CD2-CG 4.38Å; L390-L870 HydrophobicContact CG-CD1 4.34Å; L390-L870 HydrophobicContact CG-CD2 4.49Å; L390-L870 HydrophobicContact CG-CG 3.96Å
391	H	90.7	Very high	89.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	20	-178.9	-68.9	-76	0	0	0	113.7	F387 Q393 I394 V395 L434 S873	F387-H391 AromaticContact CD2-CD2 3.47Å; F387-H391 VanDerWaalsContact CD2-CD2 3.47Å; F387-H391 WeakPolarHBondContact CD2-CD2 3.47Å; F387-H391 AromaticContact CD2-NE2 3.71Å; F387-H391 AromaticContact CE2-CD2 3.33Å; F387-H391 WeakPolarHBondContact CE2-CD2 3.37Å; F387-H391 AromaticContact CE2-NE2 3.38Å; F387-H391 WeakPolarHBondContact CE2-NE2 3.47Å; F387-H391 AromaticContact CG-CD2 3.89Å; F387-H391 AromaticContact CZ-CD2 3.63Å; F387-H391 PolarHBondContact O-CD2 2.9Å; F387-H391 VanDerWaalsContact O-CD2 3.24Å; F387-H391 PolarHBondContact O-N 3.4Å; H391-Q393 PolarHBondContact O-N 3.34Å; H391-Q393 VanDerWaalsContact O-N 3.09Å; H391-I394 PolarHBondContact O-N 3.47Å; H391-V395 WeakPolarHBondContact O-CG2 3.39Å; H391-V395 PolarHBondContact O-N 3.14Å; H391-L434 HydrophobicContact CB-CD2 4.1Å; H391-S873 PolarHBondContact CE1-OG 3.14Å; H391-S873 WeakPolarHBondContact NE2-CB 3.46Å; H391-S873 PolarHBondContact NE2-OG 3.15Å
392	M	88.7	Confident	89.4	Confident	36 Å²	36	28.8 Å²	28.8	18%	0.177	13%	0.131	C	C	.	.	H	α-helix	trans	-55.4	-34.5	-172.2	-176.8	59.5	67.7	0	0	113.4	V208 L219 L388 L389 L390 I394 V395 E396	V208-M392 HydrophobicContact CG2-CE 3.95Å; L219-M392 HydrophobicContact CD1-SD 4.39Å; L388-M392 PolarHBondContact O-N 2.79Å; L389-M392 HydrophobicContact CD2-CE 3.87Å; L389-M392 WeakPolarHBondContact O-CB 3.39Å; L390-M392 VanDerWaalsContact C-N 3.31Å; L390-M392 PolarHBondContact O-N 2.89Å; M392-I394 VanDerWaalsContact C-N 3.31Å; M392-I394 PolarHBondContact O-N 2.61Å; M392-V395 PolarHBondContact O-N 3.2Å; M392-E396 VanDerWaalsContact O-CB 3.3Å; M392-E396 WeakPolarHBondContact O-CB 3.39Å; M392-E396 PolarHBondContact O-N 3.11Å
393	Q	85.1	Confident	89.7	Confident	36 Å²	36	26.2 Å²	26.2	17%	0.168	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-36.7	177.8	-64.9	75.3	21.9	0	0	112.3	H391 L397 L536 L539	H391-Q393 PolarHBondContact O-N 3.34Å; H391-Q393 VanDerWaalsContact O-N 3.09Å; Q393-L397 PolarHBondContact O-N 2.88Å; Q393-L397 VanDerWaalsContact O-N 3.12Å; Q393-L536 HydrophobicContact CG-CD1 4.37Å; Q393-L539 HydrophobicContact CB-CD2 3.84Å; Q393-L539 HydrophobicContact CG-CD2 4.1Å
394	I	88.8	Confident	89.6	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-77.3	-38.8	177.2	-57.3	173.5	0	0	0	110	H391 M392 E396 L397 E398 L434 W543 L874 Y885	H391-I394 PolarHBondContact O-N 3.47Å; M392-I394 VanDerWaalsContact C-N 3.31Å; M392-I394 PolarHBondContact O-N 2.61Å; I394-E396 VanDerWaalsContact C-N 3.31Å; I394-E396 PolarHBondContact O-N 2.85Å; I394-L397 WeakPolarHBondContact O-CB 3.35Å; I394-L397 PolarHBondContact O-N 3.32Å; I394-E398 PolarHBondContact O-N 2.92Å; I394-L434 HydrophobicContact CB-CD2 4.19Å; I394-L434 HydrophobicContact CD1-CD1 4.32Å; I394-L434 HydrophobicContact CD1-CD2 4.47Å; I394-L434 HydrophobicContact CG2-CD2 3.77Å; I394-W543 HydrophobicContact CG1-CZ2 4.44Å; I394-L874 HydrophobicContact CD1-CD1 4.3Å; I394-L874 HydrophobicContact CD1-CD2 3.63Å; I394-Y885 HydrophobicContact CG2-CD1 3.47Å; I394-Y885 VanDerWaalsContact CG2-CD1 3.47Å; I394-Y885 HydrophobicContact CG2-CE1 3.92Å; I394-Y885 HydrophobicContact CG2-CG 4.01Å
395	V	91.9	Very high	89.6	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-40.1	174.8	179.7	0	0	0	0	111.1	L219 L388 H391 M392 E398 L399 F427 I431	L219-V395 HydrophobicContact CD2-CG1 3.74Å; L388-V395 HydrophobicContact CD2-CG2 4.15Å; H391-V395 WeakPolarHBondContact O-CG2 3.39Å; H391-V395 PolarHBondContact O-N 3.14Å; M392-V395 PolarHBondContact O-N 3.2Å; V395-E398 PolarHBondContact O-N 3.11Å; V395-L399 WeakPolarHBondContact O-CB 3.41Å; V395-L399 PolarHBondContact O-N 2.95Å; V395-F427 HydrophobicContact CG1-CZ 4.44Å; V395-I431 HydrophobicContact CB-CD1 4.42Å; V395-I431 HydrophobicContact CG1-CD1 4.26Å; V395-I431 HydrophobicContact CG2-CD1 3.91Å
396	E	88.2	Confident	89.7	Confident	45 Å²	45	24.9 Å²	24.9	21%	0.21	12%	0.121	C	C	.	.	H	α-helix	trans	-67.5	-37.8	176.1	179.5	164.4	-142.8	0	0	112.1	T206 M392 I394 L399 N400 T914	T206-E396 PolarHBondContact OG1-OE1 3.06Å; M392-E396 VanDerWaalsContact O-CB 3.3Å; M392-E396 WeakPolarHBondContact O-CB 3.39Å; M392-E396 PolarHBondContact O-N 3.11Å; I394-E396 VanDerWaalsContact C-N 3.31Å; I394-E396 PolarHBondContact O-N 2.85Å; E396-L399 PolarHBondContact O-N 2.96Å; E396-N400 PolarHBondContact O-N 3.34Å; E396-N400 PolarHBondContact O-ND2 2.96Å; E396-T914 PolarHBondContact OE2-OG1 3.1Å
397	L	87.2	Confident	89.7	Confident	5 Å²	5	20.9 Å²	20.9	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-54.8	-53.6	170.4	167.7	64.2	0	0	0	110.8	Q393 I394 L399 N400 L401 A911 I913	Q393-L397 PolarHBondContact O-N 2.88Å; Q393-L397 VanDerWaalsContact O-N 3.12Å; I394-L397 WeakPolarHBondContact O-CB 3.35Å; I394-L397 PolarHBondContact O-N 3.32Å; L397-L399 VanDerWaalsContact C-N 3.27Å; L397-L399 PolarHBondContact O-N 3.5Å; L397-N400 VanDerWaalsContact O-CB 3.3Å; L397-N400 WeakPolarHBondContact O-CB 3.04Å; L397-N400 PolarHBondContact O-N 2.55Å; L397-L401 HydrophobicContact CD1-CD1 4.4Å; L397-L401 HydrophobicContact CG-CD1 4.47Å; L397-L401 WeakPolarHBondContact O-CG 3.34Å; L397-L401 PolarHBondContact O-N 2.84Å; L397-L401 VanDerWaalsContact O-N 3.08Å; L397-A911 HydrophobicContact CD1-CB 3.08Å; L397-I913 HydrophobicContact CD1-CG1 4.29Å; L397-I913 HydrophobicContact CD2-CD1 4.25Å
398	E	91.6	Very high	89.3	Confident	16 Å²	16	26.1 Å²	26.1	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-35.2	178.7	-68.9	-52.6	119.7	0	0	112.7	I394 V395 N400 L401 L402 F427 A430 Y885	I394-E398 PolarHBondContact O-N 2.92Å; V395-E398 PolarHBondContact O-N 3.11Å; E398-N400 VanDerWaalsContact C-N 3.32Å; E398-N400 PolarHBondContact O-N 2.85Å; E398-L401 PolarHBondContact O-N 2.83Å; E398-L401 WeakPolarHBondContact OE1-CD1 3.28Å; E398-L402 PolarHBondContact O-N 3.07Å; E398-F427 HydrophobicContact CB-CD2 3.67Å; E398-F427 HydrophobicContact CB-CE2 3.82Å; E398-A430 HydrophobicContact CG-CB 3.83Å; E398-A430 WeakPolarHBondContact OE2-CB 3.42Å; E398-Y885 HydrophobicContact CG-CE1 4.34Å; E398-Y885 VanDerWaalsContact OE1-CE1 3.31Å; E398-Y885 WeakPolarHBondContact OE1-CE1 3.3Å; E398-Y885 PolarHBondContact OE1-OH 3.46Å; E398-Y885 PolarHBondContact OE2-OH 3.11Å
399	L	92	Very high	89	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.7	-35.9	174.8	-171.9	66.5	0	0	0	112.3	T206 L219 K221 I365 V367 V395 E396 L397 L402 Q403 F427	T206-L399 HydrophobicContact CG2-CD2 4.22Å; L219-L399 HydrophobicContact CD1-CD2 4.37Å; L219-L399 HydrophobicContact CD2-CD2 3.57Å; L219-L399 HydrophobicContact CD2-CG 4.44Å; L219-L399 HydrophobicContact CG-CD2 3.65Å; K221-L399 HydrophobicContact CB-CD2 3.82Å; K221-L399 HydrophobicContact CB-CG 4.26Å; K221-L399 HydrophobicContact CD-CD2 3.79Å; K221-L399 HydrophobicContact CD-CG 3.89Å; K221-L399 HydrophobicContact CG-CD2 4.42Å; I365-L399 HydrophobicContact CG2-CD1 3.88Å; V367-L399 HydrophobicContact CG2-CD1 4.02Å; V395-L399 WeakPolarHBondContact O-CB 3.41Å; V395-L399 PolarHBondContact O-N 2.95Å; E396-L399 PolarHBondContact O-N 2.96Å; L397-L399 VanDerWaalsContact C-N 3.27Å; L397-L399 PolarHBondContact O-N 3.5Å; L399-L402 HydrophobicContact CD1-CD2 4.39Å; L399-L402 PolarHBondContact O-N 3.37Å; L399-Q403 PolarHBondContact O-N 3.49Å; L399-F427 HydrophobicContact CB-CE2 4.32Å
400	N	90	Very high	88.7	Confident	14 Å²	14	24.6 Å²	24.6	8%	0.075	12%	0.123	C	C	.	.	H	α-helix	trans	-64.7	-41.9	173.3	-77.2	-53.9	0	0	0	111.6	K221 E396 L397 E398 L402 Q403 E404	K221-N400 PolarHBondContact NZ-OD1 3.34Å; E396-N400 PolarHBondContact O-N 3.34Å; E396-N400 PolarHBondContact O-ND2 2.96Å; L397-N400 VanDerWaalsContact O-CB 3.3Å; L397-N400 WeakPolarHBondContact O-CB 3.04Å; L397-N400 PolarHBondContact O-N 2.55Å; E398-N400 VanDerWaalsContact C-N 3.32Å; E398-N400 PolarHBondContact O-N 2.85Å; N400-L402 VanDerWaalsContact C-N 3.34Å; N400-Q403 WeakPolarHBondContact O-CB 3.26Å; N400-Q403 PolarHBondContact O-N 3.3Å; N400-E404 PolarHBondContact O-N 3.17Å
401	L	90	Very high	88.1	Confident	20 Å²	20	27.1 Å²	27.1	11%	0.105	13%	0.133	C	C	.	.	H	α-helix	trans	-65.7	-40	177.9	-63.6	173.7	0	0	0	111.3	L397 E398 E404 A405 Q907	L397-L401 HydrophobicContact CD1-CD1 4.4Å; L397-L401 HydrophobicContact CG-CD1 4.47Å; L397-L401 WeakPolarHBondContact O-CG 3.34Å; L397-L401 PolarHBondContact O-N 2.84Å; L397-L401 VanDerWaalsContact O-N 3.08Å; E398-L401 PolarHBondContact O-N 2.83Å; E398-L401 WeakPolarHBondContact OE1-CD1 3.28Å; L401-E404 PolarHBondContact O-N 2.61Å; L401-A405 WeakPolarHBondContact O-CB 3.43Å; L401-A405 PolarHBondContact O-N 2.85Å; L401-Q907 HydrophobicContact CD1-CG 3.89Å; L401-Q907 VanDerWaalsContact CD1-NE2 3.3Å; L401-Q907 HydrophobicContact CD2-CG 3.54Å; L401-Q907 HydrophobicContact CG-CG 4.34Å
402	L	92.8	Very high	87.6	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-45.6	171.5	177.8	59.9	0	0	0	111.7	L119 I365 V367 E398 L399 N400 E404 A405 I406 A423 W424 F427	L119-L402 HydrophobicContact CD1-CD2 4.16Å; L119-L402 HydrophobicContact CD2-CD2 4.47Å; I365-L402 HydrophobicContact CD1-CG 4.49Å; I365-L402 HydrophobicContact CG2-CD2 4.42Å; V367-L402 HydrophobicContact CG2-CD2 4.49Å; E398-L402 PolarHBondContact O-N 3.07Å; L399-L402 HydrophobicContact CD1-CD2 4.39Å; L399-L402 PolarHBondContact O-N 3.37Å; N400-L402 VanDerWaalsContact C-N 3.34Å; L402-E404 VanDerWaalsContact C-N 3.35Å; L402-E404 PolarHBondContact O-N 3.32Å; L402-A405 PolarHBondContact O-N 3.38Å; L402-I406 HydrophobicContact CD1-CD1 3.97Å; L402-I406 HydrophobicContact CD1-CG1 4.35Å; L402-I406 HydrophobicContact CG-CD1 3.92Å; L402-I406 WeakPolarHBondContact O-CD1 3.37Å; L402-I406 VanDerWaalsContact O-CG1 3.26Å; L402-I406 WeakPolarHBondContact O-CG1 3.16Å; L402-I406 PolarHBondContact O-N 2.93Å; L402-A423 HydrophobicContact CD1-CB 3.67Å; L402-W424 HydrophobicContact CD2-CE3 4.33Å; L402-F427 HydrophobicContact CD2-CB 4.44Å; L402-F427 HydrophobicContact CD2-CD2 4.42Å; L402-F427 HydrophobicContact CD2-CG 4.38Å
403	Q	91.4	Very high	86.9	Confident	11 Å²	11	36 Å²	36	5%	0.051	18%	0.175	C	C	.	.	H	α-helix	trans	-57.9	-46.6	175.2	165.5	-178	-28	0	0	111.6	D204 K221 F223 I365 L399 N400 I406 L407	D204-Q403 PolarHBondContact OD2-NE2 2.93Å; K221-Q403 VanDerWaalsContact CD-OE1 3.22Å; F223-Q403 HydrophobicContact CD1-CG 3.84Å; F223-Q403 HydrophobicContact CD2-CG 4Å; F223-Q403 HydrophobicContact CE1-CB 4.22Å; F223-Q403 HydrophobicContact CE1-CG 3.8Å; F223-Q403 HydrophobicContact CE2-CG 3.92Å; F223-Q403 HydrophobicContact CG-CG 3.96Å; F223-Q403 HydrophobicContact CZ-CB 4.38Å; F223-Q403 HydrophobicContact CZ-CG 3.84Å; I365-Q403 HydrophobicContact CD1-CB 4.01Å; L399-Q403 PolarHBondContact O-N 3.49Å; N400-Q403 WeakPolarHBondContact O-CB 3.26Å; N400-Q403 PolarHBondContact O-N 3.3Å; Q403-I406 PolarHBondContact O-N 3.33Å; Q403-L407 HydrophobicContact CG-CD1 4.04Å; Q403-L407 WeakPolarHBondContact O-CG 3.47Å; Q403-L407 PolarHBondContact O-N 3.09Å
404	E	86.8	Confident	86.6	Confident	57 Å²	57	42.7 Å²	42.7	27%	0.266	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-45.1	-179.9	-172	-178.3	164.2	0	0	111.6	N400 L401 L402 I406 L407 K408	N400-E404 PolarHBondContact O-N 3.17Å; L401-E404 PolarHBondContact O-N 2.61Å; L402-E404 VanDerWaalsContact C-N 3.35Å; L402-E404 PolarHBondContact O-N 3.32Å; E404-I406 VanDerWaalsContact C-N 3.31Å; E404-I406 PolarHBondContact O-N 3.22Å; E404-L407 PolarHBondContact O-N 3.43Å; E404-K408 HydrophobicContact CG-CD 4.34Å; E404-K408 WeakPolarHBondContact O-CG 3.48Å; E404-K408 PolarHBondContact O-N 2.87Å; E404-K408 WeakPolarHBondContact OE1-CE 3.28Å; E404-K408 IonicContact OE1-NZ 2.74Å; E404-K408 PolarHBondContact OE1-NZ 3.47Å
405	A	89.3	Confident	86.4	Confident	32 Å²	32	45.7 Å²	45.7	26%	0.264	22%	0.222	S	C	.	.	H	α-helix	trans	-61.9	-37.7	176.5	0	0	0	0	0	112.6	L401 L402 T409 A423	L401-A405 WeakPolarHBondContact O-CB 3.43Å; L401-A405 PolarHBondContact O-N 2.85Å; L402-A405 PolarHBondContact O-N 3.38Å; A405-T409 WeakPolarHBondContact O-CG2 3.31Å; A405-T409 PolarHBondContact O-N 3.12Å; A405-T409 PolarHBondContact O-OG1 3.13Å; A405-A423 HydrophobicContact CB-CB 3.59Å
406	I	91	Very high	86.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-45.9	174.8	-70.2	163.7	0	0	0	110.5	L121 I365 L402 Q403 E404 T409 Y410 F416 V420	L121-I406 HydrophobicContact CD1-CD1 4.41Å; L121-I406 HydrophobicContact CD1-CG2 4.4Å; L121-I406 HydrophobicContact CD2-CG2 3.93Å; I365-I406 HydrophobicContact CD1-CD1 3.57Å; I365-I406 HydrophobicContact CG1-CD1 3.86Å; L402-I406 HydrophobicContact CD1-CD1 3.97Å; L402-I406 HydrophobicContact CD1-CG1 4.35Å; L402-I406 HydrophobicContact CG-CD1 3.92Å; L402-I406 WeakPolarHBondContact O-CD1 3.37Å; L402-I406 VanDerWaalsContact O-CG1 3.26Å; L402-I406 WeakPolarHBondContact O-CG1 3.16Å; L402-I406 PolarHBondContact O-N 2.93Å; Q403-I406 PolarHBondContact O-N 3.33Å; E404-I406 VanDerWaalsContact C-N 3.31Å; E404-I406 PolarHBondContact O-N 3.22Å; I406-T409 PolarHBondContact O-N 3.12Å; I406-T409 PolarHBondContact O-OG1 3.26Å; I406-Y410 WeakPolarHBondContact O-CB 3.11Å; I406-Y410 PolarHBondContact O-N 3.41Å; I406-F416 HydrophobicContact CG2-CE2 4.49Å; I406-V420 HydrophobicContact CG1-CG1 4.46Å; I406-V420 HydrophobicContact CG1-CG2 4.18Å
407	L	86.9	Confident	86.2	Confident	54 Å²	54	45.2 Å²	45.2	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-43.2	-180	-76.6	172.3	0	0	0	112.2	F223 C225 L363 Q403 E404 T409 Y410	F223-L407 HydrophobicContact CD2-CD1 4.07Å; F223-L407 HydrophobicContact CD2-CD2 3.99Å; F223-L407 HydrophobicContact CD2-CG 4.17Å; F223-L407 HydrophobicContact CE2-CD1 4.13Å; F223-L407 HydrophobicContact CE2-CD2 3.7Å; F223-L407 HydrophobicContact CE2-CG 3.77Å; C225-L407 HydrophobicContact CB-CD2 4.48Å; L363-L407 HydrophobicContact CD1-CD2 4.22Å; Q403-L407 HydrophobicContact CG-CD1 4.04Å; Q403-L407 WeakPolarHBondContact O-CG 3.47Å; Q403-L407 PolarHBondContact O-N 3.09Å; E404-L407 PolarHBondContact O-N 3.43Å; L407-T409 PolarHBondContact O-N 3.34Å; L407-Y410 PolarHBondContact O-N 3.43Å
408	K	83.9	Confident	86.2	Confident	111 Å²	111	46.9 Å²	46.9	48%	0.483	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-30.3	176.7	-74.9	178.6	-178.8	173.1	0	112.8	E404	E404-K408 HydrophobicContact CG-CD 4.34Å; E404-K408 WeakPolarHBondContact O-CG 3.48Å; E404-K408 PolarHBondContact O-N 2.87Å; E404-K408 WeakPolarHBondContact OE1-CE 3.28Å; E404-K408 IonicContact OE1-NZ 2.74Å; E404-K408 PolarHBondContact OE1-NZ 3.47Å
409	T	84.5	Confident	86.2	Confident	22 Å²	22	48.2 Å²	48.2	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-106.7	-8.3	-172.2	60.3	0	0	0	0	114	A405 I406 L407 F411 S412 N419	A405-T409 WeakPolarHBondContact O-CG2 3.31Å; A405-T409 PolarHBondContact O-N 3.12Å; A405-T409 PolarHBondContact O-OG1 3.13Å; I406-T409 PolarHBondContact O-N 3.12Å; I406-T409 PolarHBondContact O-OG1 3.26Å; L407-T409 PolarHBondContact O-N 3.34Å; T409-F411 VanDerWaalsContact C-N 3.26Å; T409-F411 PolarHBondContact O-N 2.97Å; T409-S412 PolarHBondContact O-N 2.96Å; T409-N419 HydrophobicContact CG2-CB 3.64Å; T409-N419 WeakPolarHBondContact CG2-ND2 3.32Å
410	Y	83.3	Confident	86.2	Confident	30 Å²	30	48.2 Å²	48.2	12%	0.118	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.8	-176.8	-177.3	-109.6	0	0	0	113.8	R123 L133 L363 I406 L407 F416	R123-Y410 WeakPolarHBondContact CD-OH 3.43Å; L133-Y410 HydrophobicContact CD1-CD2 4.43Å; L133-Y410 HydrophobicContact CD1-CE2 3.73Å; L363-Y410 HydrophobicContact CD1-CD2 4.19Å; L363-Y410 HydrophobicContact CD1-CE2 4.34Å; L363-Y410 HydrophobicContact CD1-CG 4.44Å; L363-Y410 HydrophobicContact CD2-CE2 4.03Å; I406-Y410 WeakPolarHBondContact O-CB 3.11Å; I406-Y410 PolarHBondContact O-N 3.41Å; L407-Y410 PolarHBondContact O-N 3.43Å; Y410-F416 AromaticContact CD2-CE2 3.91Å; Y410-F416 HydrophobicContact CD2-CE2 3.91Å; Y410-F416 HydrophobicContact CD2-CZ 4.25Å
411	F	76.5	Confident	86.2	Confident	74 Å²	74	49.3 Å²	49.3	33%	0.325	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-19.3	179.7	-60.4	-70.9	0	0	0	113.5	F268 T409 K413	F268-F411 HydrophobicContact CD1-CE2 4.19Å; F268-F411 HydrophobicContact CD1-CZ 4.33Å; F268-F411 AromaticContact CE1-CE2 3.79Å; F268-F411 HydrophobicContact CE1-CE2 3.79Å; F268-F411 AromaticContact CE1-CZ 3.77Å; F268-F411 HydrophobicContact CE1-CZ 3.77Å; F268-F411 HydrophobicContact CZ-CE2 4.48Å; T409-F411 VanDerWaalsContact C-N 3.26Å; T409-F411 PolarHBondContact O-N 2.97Å; F411-K413 PolarHBondContact O-N 3.33Å
412	S	80.7	Confident	86.4	Confident	37 Å²	37	54.7 Å²	54.7	26%	0.259	27%	0.265	S	S	.	.			trans	-96	75	-176.3	-60.9	0	0	0	0	111.4	T409 K414 V415 F416	T409-S412 PolarHBondContact O-N 2.96Å; S412-K414 PolarHBondContact O-N 2.93Å; S412-V415 PolarHBondContact O-N 3.24Å; S412-F416 PolarHBondContact O-N 2.82Å
413	K	73.7	Confident	86.4	Confident	185 Å²	185	55.3 Å²	55.3	80%	0.804	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-36	-176.3	-71.2	-175.7	-178.9	175.7	0	114.7	F411 V415	F411-K413 PolarHBondContact O-N 3.33Å; K413-V415 VanDerWaalsContact C-N 3.31Å; K413-V415 PolarHBondContact O-N 2.86Å
414	K	77.7	Confident	86.6	Confident	176 Å²	176	55 Å²	55	77%	0.765	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.5	-177.7	-70.6	-173.1	179.5	-179.3	0	114.6	C172 S412	C172-K414 HydrophobicContact CB-CB 4.42Å; C172-K414 WeakPolarHBondContact CB-O 3.33Å; C172-K414 VanDerWaalsContact SG-C 3.59Å; C172-K414 PolarHBondContact SG-O 3.05Å; S412-K414 PolarHBondContact O-N 2.93Å
415	V	84.1	Confident	86.9	Confident	65 Å²	65	56.3 Å²	56.3	39%	0.394	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-4.3	-178	-69.2	0	0	0	0	112.4	S412 K413 S417 V418 N419	S412-V415 PolarHBondContact O-N 3.24Å; K413-V415 VanDerWaalsContact C-N 3.31Å; K413-V415 PolarHBondContact O-N 2.86Å; V415-S417 PolarHBondContact O-N 2.93Å; V415-V418 PolarHBondContact O-N 2.81Å; V415-N419 PolarHBondContact O-N 3.35Å
416	F	88.5	Confident	87.1	Confident	19 Å²	19	57.5 Å²	57.5	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-48.6	-58.2	-177.3	178	-108.8	0	0	0	112.7	L121 L133 I406 Y410 S412 V418 N419 V420	L121-F416 HydrophobicContact CD2-CE1 4.42Å; L121-F416 HydrophobicContact CD2-CE2 4.47Å; L121-F416 HydrophobicContact CD2-CZ 3.63Å; L133-F416 HydrophobicContact CB-CE1 4.2Å; L133-F416 HydrophobicContact CB-CZ 4.4Å; L133-F416 HydrophobicContact CD1-CZ 4.41Å; I406-F416 HydrophobicContact CG2-CE2 4.49Å; Y410-F416 AromaticContact CD2-CE2 3.91Å; Y410-F416 HydrophobicContact CD2-CE2 3.91Å; Y410-F416 HydrophobicContact CD2-CZ 4.25Å; S412-F416 PolarHBondContact O-N 2.82Å; F416-V418 VanDerWaalsContact C-N 3.31Å; F416-V418 PolarHBondContact O-N 2.59Å; F416-N419 PolarHBondContact O-N 2.86Å; F416-V420 HydrophobicContact CD1-CG2 4.47Å; F416-V420 HydrophobicContact CD2-CG2 3.89Å; F416-V420 HydrophobicContact CE1-CG2 4.2Å; F416-V420 HydrophobicContact CE2-CG2 3.59Å; F416-V420 HydrophobicContact CG-CG2 4.34Å; F416-V420 HydrophobicContact CZ-CG2 3.78Å; F416-V420 WeakPolarHBondContact O-CB 3.43Å; F416-V420 WeakPolarHBondContact O-CG2 3.42Å; F416-V420 PolarHBondContact O-N 2.87Å
417	S	87.6	Confident	87.3	Confident	18 Å²	18	57.6 Å²	57.6	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-34.5	-176	-57.5	0	0	0	0	113.4	F134 V415 W421	F134-S417 WeakPolarHBondContact CE2-O 3.46Å; V415-S417 PolarHBondContact O-N 2.93Å; S417-W421 WeakPolarHBondContact O-CB 3.21Å; S417-W421 PolarHBondContact O-N 3.17Å
418	V	88.9	Confident	87.8	Confident	40 Å²	40	55.8 Å²	55.8	24%	0.242	28%	0.278	C	S	.	.	H	α-helix	trans	-70.8	-42.3	178.4	177.6	0	0	0	0	110.4	V415 F416 W421 K422	V415-V418 PolarHBondContact O-N 2.81Å; F416-V418 VanDerWaalsContact C-N 3.31Å; F416-V418 PolarHBondContact O-N 2.59Å; V418-W421 WeakPolarHBondContact O-CB 3.46Å; V418-W421 PolarHBondContact O-N 2.64Å; V418-K422 WeakPolarHBondContact O-CG 3.39Å; V418-K422 PolarHBondContact O-N 3.44Å
419	N	90.3	Very high	88.3	Confident	45 Å²	45	53.5 Å²	53.5	24%	0.241	28%	0.276	C	S	.	.	H	α-helix	trans	-72.9	-37.9	-180	-68	-18.4	0	0	0	112.4	T409 V415 F416 W421 K422 A423	T409-N419 HydrophobicContact CG2-CB 3.64Å; T409-N419 WeakPolarHBondContact CG2-ND2 3.32Å; V415-N419 PolarHBondContact O-N 3.35Å; F416-N419 PolarHBondContact O-N 2.86Å; N419-W421 VanDerWaalsContact C-N 3.29Å; N419-W421 PolarHBondContact O-N 3.08Å; N419-K422 PolarHBondContact O-N 2.82Å; N419-A423 WeakPolarHBondContact O-CB 3.31Å; N419-A423 PolarHBondContact O-N 2.81Å
420	V	92.4	Very high	88.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-41.2	171	175.3	0	0	0	0	110.4	L119 F134 I406 F416 A423 W424	L119-V420 HydrophobicContact CD2-CG1 4.07Å; F134-V420 HydrophobicContact CB-CG1 4.18Å; F134-V420 HydrophobicContact CD1-CG1 3.65Å; F134-V420 HydrophobicContact CD2-CB 4.26Å; F134-V420 HydrophobicContact CD2-CG1 3.98Å; F134-V420 HydrophobicContact CE1-CG1 3.94Å; F134-V420 HydrophobicContact CE2-CB 4.41Å; F134-V420 HydrophobicContact CE2-CG1 4.26Å; F134-V420 HydrophobicContact CG-CB 4.42Å; F134-V420 HydrophobicContact CG-CG1 3.66Å; F134-V420 HydrophobicContact CZ-CG1 4.24Å; I406-V420 HydrophobicContact CG1-CG1 4.46Å; I406-V420 HydrophobicContact CG1-CG2 4.18Å; F416-V420 HydrophobicContact CD1-CG2 4.47Å; F416-V420 HydrophobicContact CD2-CG2 3.89Å; F416-V420 HydrophobicContact CE1-CG2 4.2Å; F416-V420 HydrophobicContact CE2-CG2 3.59Å; F416-V420 HydrophobicContact CG-CG2 4.34Å; F416-V420 HydrophobicContact CZ-CG2 3.78Å; F416-V420 WeakPolarHBondContact O-CB 3.43Å; F416-V420 WeakPolarHBondContact O-CG2 3.42Å; F416-V420 PolarHBondContact O-N 2.87Å; V420-A423 PolarHBondContact O-N 3.35Å; V420-W424 WeakPolarHBondContact O-CB 3.44Å; V420-W424 PolarHBondContact O-N 3.32Å
421	W	90.9	Very high	89.2	Confident	36 Å²	36	51.6 Å²	51.6	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-44.9	173.4	173	-92.8	0	0	0	112.6	F134 Y139 C140 S417 V418 N419 W424 M425	F134-W421 HydrophobicContact CE2-CB 4.48Å; F134-W421 HydrophobicContact CZ-CB 4.08Å; F134-W421 HydrophobicContact CZ-CE3 4.16Å; Y139-W421 HydrophobicContact CD1-CB 4.29Å; Y139-W421 AromaticContact CD1-CD2 3.79Å; Y139-W421 HydrophobicContact CD1-CD2 3.79Å; Y139-W421 AromaticContact CD1-CE3 3.54Å; Y139-W421 HydrophobicContact CD1-CE3 3.54Å; Y139-W421 HydrophobicContact CD1-CG 4.12Å; Y139-W421 HydrophobicContact CD1-CZ3 4.25Å; Y139-W421 HydrophobicContact CE1-CB 3.79Å; Y139-W421 AromaticContact CE1-CD2 3.74Å; Y139-W421 HydrophobicContact CE1-CD2 3.74Å; Y139-W421 HydrophobicContact CE1-CE3 4.01Å; Y139-W421 AromaticContact CE1-CG 3.63Å; Y139-W421 HydrophobicContact CE1-CG 3.63Å; C140-W421 WeakPolarHBondContact SG-CH2 3.47Å; C140-W421 WeakPolarHBondContact SG-CZ3 3.4Å; S417-W421 WeakPolarHBondContact O-CB 3.21Å; S417-W421 PolarHBondContact O-N 3.17Å; V418-W421 WeakPolarHBondContact O-CB 3.46Å; V418-W421 PolarHBondContact O-N 2.64Å; N419-W421 VanDerWaalsContact C-N 3.29Å; N419-W421 PolarHBondContact O-N 3.08Å; W421-W424 AromaticContact CE3-CD1 3.99Å; W421-W424 AromaticContact CZ3-CD1 3.81Å; W421-W424 WeakPolarHBondContact O-CB 3.23Å; W421-W424 PolarHBondContact O-N 2.85Å; W421-M425 HydrophobicContact CD2-CG 4.15Å; W421-M425 HydrophobicContact CH2-CG 4.21Å; W421-M425 HydrophobicContact CH2-SD 3.59Å; W421-M425 VanDerWaalsContact CH2-SD 3.59Å; W421-M425 HydrophobicContact CZ2-CE 4.33Å; W421-M425 HydrophobicContact CZ2-CG 3.6Å; W421-M425 HydrophobicContact CZ2-SD 3.37Å; W421-M425 WeakPolarHBondContact CZ2-SD 3.21Å; W421-M425 HydrophobicContact CZ3-SD 4.38Å; W421-M425 WeakPolarHBondContact O-CG 3.41Å; W421-M425 PolarHBondContact O-N 2.93Å
422	K	92.8	Very high	90	Very high	133 Å²	133	53.9 Å²	53.9	58%	0.578	27%	0.274	S	S	*	.	H	α-helix	trans	-61.2	-47.6	177	-74	176.4	178.7	-179.5	0	111.5	V418 N419 W424 M425 A426	V418-K422 WeakPolarHBondContact O-CG 3.39Å; V418-K422 PolarHBondContact O-N 3.44Å; N419-K422 PolarHBondContact O-N 2.82Å; K422-W424 VanDerWaalsContact C-N 3.3Å; K422-W424 PolarHBondContact O-N 3.22Å; K422-M425 PolarHBondContact O-N 2.64Å; K422-A426 PolarHBondContact O-N 2.88Å
423	A	93.8	Very high	90.6	Very high	16 Å²	16	54.4 Å²	54.4	13%	0.132	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-39	177.4	0	0	0	0	0	111.9	L402 A405 N419 V420 A426 F427	L402-A423 HydrophobicContact CD1-CB 3.67Å; A405-A423 HydrophobicContact CB-CB 3.59Å; N419-A423 WeakPolarHBondContact O-CB 3.31Å; N419-A423 PolarHBondContact O-N 2.81Å; V420-A423 PolarHBondContact O-N 3.35Å; A423-A426 PolarHBondContact O-N 2.98Å; A423-F427 PolarHBondContact O-N 3.43Å
424	W	94.5	Very high	91.4	Very high	6 Å²	6	45.7 Å²	45.7	2%	0.023	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-47.5	173.6	170	-117.2	0	0	0	112.7	I117 L119 V367 L402 V420 W421 K422 A426 F427 V428	I117-W424 HydrophobicContact CB-CH2 4.04Å; I117-W424 HydrophobicContact CB-CZ2 4.04Å; I117-W424 HydrophobicContact CG2-CH2 3.45Å; I117-W424 VanDerWaalsContact CG2-CH2 3.45Å; I117-W424 HydrophobicContact CG2-CZ2 3.96Å; I117-W424 WeakPolarHBondContact O-CZ2 3.47Å; L119-W424 HydrophobicContact CB-CD2 3.53Å; L119-W424 HydrophobicContact CB-CE3 3.51Å; L119-W424 HydrophobicContact CB-CG 4.1Å; L119-W424 HydrophobicContact CB-CH2 4.12Å; L119-W424 HydrophobicContact CB-CZ2 4.19Å; L119-W424 HydrophobicContact CB-CZ3 3.8Å; L119-W424 HydrophobicContact CD1-CE3 4.44Å; L119-W424 HydrophobicContact CD2-CB 3.77Å; L119-W424 HydrophobicContact CD2-CD2 4.05Å; L119-W424 HydrophobicContact CD2-CE3 3.94Å; L119-W424 HydrophobicContact CD2-CG 4Å; L119-W424 HydrophobicContact CG-CD2 4.39Å; L119-W424 HydrophobicContact CG-CE3 4.16Å; V367-W424 HydrophobicContact CG1-CH2 3.9Å; V367-W424 HydrophobicContact CG1-CZ3 3.9Å; V367-W424 HydrophobicContact CG2-CZ3 4.06Å; L402-W424 HydrophobicContact CD2-CE3 4.33Å; V420-W424 WeakPolarHBondContact O-CB 3.44Å; V420-W424 PolarHBondContact O-N 3.32Å; W421-W424 AromaticContact CE3-CD1 3.99Å; W421-W424 AromaticContact CZ3-CD1 3.81Å; W421-W424 WeakPolarHBondContact O-CB 3.23Å; W421-W424 PolarHBondContact O-N 2.85Å; K422-W424 VanDerWaalsContact C-N 3.3Å; K422-W424 PolarHBondContact O-N 3.22Å; W424-A426 VanDerWaalsContact C-N 3.29Å; W424-A426 PolarHBondContact O-N 2.68Å; W424-F427 HydrophobicContact CE3-CB 4.33Å; W424-F427 AromaticContact CE3-CD1 3.97Å; W424-F427 HydrophobicContact CE3-CD1 3.97Å; W424-F427 HydrophobicContact CE3-CG 4.42Å; W424-F427 HydrophobicContact CH2-CD1 4.11Å; W424-F427 HydrophobicContact CH2-CE1 4.4Å; W424-F427 AromaticContact CZ3-CD1 3.4Å; W424-F427 HydrophobicContact CZ3-CD1 3.4Å; W424-F427 AromaticContact CZ3-CE1 3.89Å; W424-F427 HydrophobicContact CZ3-CE1 3.89Å; W424-F427 HydrophobicContact CZ3-CG 4.22Å; W424-F427 WeakPolarHBondContact O-CB 3.29Å; W424-F427 PolarHBondContact O-N 3.01Å; W424-V428 HydrophobicContact CD2-CG2 3.95Å; W424-V428 VanDerWaalsContact CE2-CG2 3.43Å; W424-V428 HydrophobicContact CE3-CG2 4.18Å; W424-V428 HydrophobicContact CH2-CG2 3.54Å; W424-V428 HydrophobicContact CZ2-CG2 3.21Å; W424-V428 HydrophobicContact CZ3-CG2 4.01Å; W424-V428 PolarHBondContact O-N 2.82Å
425	M	94.7	Very high	92	Very high	83 Å²	83	37.4 Å²	37.4	41%	0.409	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-35.6	177.8	-70.5	-59.6	-67.6	0	0	111.9	W421 K422 V428 S429	W421-M425 HydrophobicContact CD2-CG 4.15Å; W421-M425 HydrophobicContact CH2-CG 4.21Å; W421-M425 HydrophobicContact CH2-SD 3.59Å; W421-M425 VanDerWaalsContact CH2-SD 3.59Å; W421-M425 HydrophobicContact CZ2-CE 4.33Å; W421-M425 HydrophobicContact CZ2-CG 3.6Å; W421-M425 HydrophobicContact CZ2-SD 3.37Å; W421-M425 WeakPolarHBondContact CZ2-SD 3.21Å; W421-M425 HydrophobicContact CZ3-SD 4.38Å; W421-M425 WeakPolarHBondContact O-CG 3.41Å; W421-M425 PolarHBondContact O-N 2.93Å; K422-M425 PolarHBondContact O-N 2.64Å; M425-V428 PolarHBondContact O-N 3.36Å; M425-S429 VanDerWaalsContact O-CB 3.23Å; M425-S429 WeakPolarHBondContact O-CB 3.35Å; M425-S429 PolarHBondContact O-N 2.93Å
426	A	93.6	Very high	92.3	Very high	57 Å²	57	38.1 Å²	38.1	47%	0.471	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-45	172.3	0	0	0	0	0	111.4	K422 A423 W424 S429 A430	K422-A426 PolarHBondContact O-N 2.88Å; A423-A426 PolarHBondContact O-N 2.98Å; W424-A426 VanDerWaalsContact C-N 3.29Å; W424-A426 PolarHBondContact O-N 2.68Å; A426-S429 PolarHBondContact O-N 2.87Å; A426-A430 WeakPolarHBondContact O-CB 3.3Å; A426-A430 PolarHBondContact O-N 2.67Å
427	F	95.1	Very high	92.3	Very high	3 Å²	3	38 Å²	38	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-49.9	174.4	176.1	-85.6	0	0	0	112	V367 F369 V395 E398 L399 L402 A423 W424 S429 A430 I431	V367-F427 HydrophobicContact CG1-CE1 3.77Å; V367-F427 HydrophobicContact CG1-CZ 4.17Å; F369-F427 HydrophobicContact CZ-CE1 4.38Å; F369-F427 HydrophobicContact CZ-CZ 4.35Å; V395-F427 HydrophobicContact CG1-CZ 4.44Å; E398-F427 HydrophobicContact CB-CD2 3.67Å; E398-F427 HydrophobicContact CB-CE2 3.82Å; L399-F427 HydrophobicContact CB-CE2 4.32Å; L402-F427 HydrophobicContact CD2-CB 4.44Å; L402-F427 HydrophobicContact CD2-CD2 4.42Å; L402-F427 HydrophobicContact CD2-CG 4.38Å; A423-F427 PolarHBondContact O-N 3.43Å; W424-F427 HydrophobicContact CE3-CB 4.33Å; W424-F427 AromaticContact CE3-CD1 3.97Å; W424-F427 HydrophobicContact CE3-CD1 3.97Å; W424-F427 HydrophobicContact CE3-CG 4.42Å; W424-F427 HydrophobicContact CH2-CD1 4.11Å; W424-F427 HydrophobicContact CH2-CE1 4.4Å; W424-F427 AromaticContact CZ3-CD1 3.4Å; W424-F427 HydrophobicContact CZ3-CD1 3.4Å; W424-F427 AromaticContact CZ3-CE1 3.89Å; W424-F427 HydrophobicContact CZ3-CE1 3.89Å; W424-F427 HydrophobicContact CZ3-CG 4.22Å; W424-F427 WeakPolarHBondContact O-CB 3.29Å; W424-F427 PolarHBondContact O-N 3.01Å; F427-S429 VanDerWaalsContact C-N 3.32Å; F427-S429 PolarHBondContact O-N 3.34Å; F427-A430 WeakPolarHBondContact O-CB 3.45Å; F427-A430 PolarHBondContact O-N 3.26Å; F427-I431 HydrophobicContact CD1-CG1 4.31Å; F427-I431 HydrophobicContact CE1-CG1 3.86Å; F427-I431 HydrophobicContact CZ-CD1 4.22Å; F427-I431 HydrophobicContact CZ-CG1 3.98Å; F427-I431 WeakPolarHBondContact O-CG1 3.12Å; F427-I431 PolarHBondContact O-N 3.36Å
428	V	95.9	Very high	92.1	Very high	15 Å²	15	39 Å²	39	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-42.6	179.1	174.1	0	0	0	0	111.1	F114 I117 W424 M425 A430 I431 R432	F114-V428 HydrophobicContact CB-CG1 4.11Å; I117-V428 HydrophobicContact CB-CG2 4.48Å; I117-V428 HydrophobicContact CD1-CG1 4.39Å; W424-V428 HydrophobicContact CD2-CG2 3.95Å; W424-V428 VanDerWaalsContact CE2-CG2 3.43Å; W424-V428 HydrophobicContact CE3-CG2 4.18Å; W424-V428 HydrophobicContact CH2-CG2 3.54Å; W424-V428 HydrophobicContact CZ2-CG2 3.21Å; W424-V428 HydrophobicContact CZ3-CG2 4.01Å; W424-V428 PolarHBondContact O-N 2.82Å; M425-V428 PolarHBondContact O-N 3.36Å; V428-A430 VanDerWaalsContact C-N 3.34Å; V428-A430 PolarHBondContact O-N 3.39Å; V428-I431 PolarHBondContact O-N 3.33Å; V428-R432 WeakPolarHBondContact O-CB 3.4Å; V428-R432 PolarHBondContact O-N 3.06Å
429	S	94.3	Very high	92	Very high	64 Å²	64	38.2 Å²	38.2	45%	0.448	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-41.7	176.5	-167.9	0	0	0	0	111.7	M425 A426 F427 R432 V433	M425-S429 VanDerWaalsContact O-CB 3.23Å; M425-S429 WeakPolarHBondContact O-CB 3.35Å; M425-S429 PolarHBondContact O-N 2.93Å; A426-S429 PolarHBondContact O-N 2.87Å; F427-S429 VanDerWaalsContact C-N 3.32Å; F427-S429 PolarHBondContact O-N 3.34Å; S429-R432 PolarHBondContact O-N 3.31Å; S429-V433 WeakPolarHBondContact O-CB 3.34Å; S429-V433 VanDerWaalsContact O-CG2 3.28Å; S429-V433 WeakPolarHBondContact O-CG2 3.19Å; S429-V433 PolarHBondContact O-N 3.36Å
430	A	93.6	Very high	91.4	Very high	9 Å²	9	36.2 Å²	36.2	7%	0.074	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-47.3	176.7	0	0	0	0	0	112.1	E398 A426 F427 V428 R432 V433 L434 Y885	E398-A430 HydrophobicContact CG-CB 3.83Å; E398-A430 WeakPolarHBondContact OE2-CB 3.42Å; A426-A430 WeakPolarHBondContact O-CB 3.3Å; A426-A430 PolarHBondContact O-N 2.67Å; F427-A430 WeakPolarHBondContact O-CB 3.45Å; F427-A430 PolarHBondContact O-N 3.26Å; V428-A430 VanDerWaalsContact C-N 3.34Å; V428-A430 PolarHBondContact O-N 3.39Å; A430-R432 VanDerWaalsContact C-N 3.32Å; A430-R432 PolarHBondContact O-N 2.94Å; A430-V433 PolarHBondContact O-N 3.11Å; A430-L434 WeakPolarHBondContact O-CB 3.2Å; A430-L434 PolarHBondContact O-N 3.09Å; A430-Y885 HydrophobicContact CB-CE2 4.24Å; A430-Y885 WeakPolarHBondContact CB-OH 3.43Å
431	I	94.6	Very high	90.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-40.5	176.5	-59.5	-57.2	0	0	0	111.1	F114 F384 L388 V395 F427 V428 L434 Y435	F114-I431 HydrophobicContact CE1-CG2 4.26Å; F384-I431 HydrophobicContact CE2-CG2 4.41Å; F384-I431 HydrophobicContact CZ-CG2 4.02Å; L388-I431 HydrophobicContact CD2-CG2 4.16Å; V395-I431 HydrophobicContact CB-CD1 4.42Å; V395-I431 HydrophobicContact CG1-CD1 4.26Å; V395-I431 HydrophobicContact CG2-CD1 3.91Å; F427-I431 HydrophobicContact CD1-CG1 4.31Å; F427-I431 HydrophobicContact CE1-CG1 3.86Å; F427-I431 HydrophobicContact CZ-CD1 4.22Å; F427-I431 HydrophobicContact CZ-CG1 3.98Å; F427-I431 WeakPolarHBondContact O-CG1 3.12Å; F427-I431 PolarHBondContact O-N 3.36Å; V428-I431 PolarHBondContact O-N 3.33Å; I431-L434 PolarHBondContact O-N 3.48Å; I431-Y435 WeakPolarHBondContact O-CB 3.22Å; I431-Y435 PolarHBondContact O-N 2.94Å
432	R	93.2	Very high	89.8	Confident	123 Å²	123	37.3 Å²	37.3	46%	0.464	20%	0.199	S	C	.	.	H	α-helix	trans	-62.4	-51.4	176.8	-178.3	176.2	-179.9	178.6	0.6	111.9	F114 V428 S429 A430 L434 Y435 E436	F114-R432 HydrophobicContact CD1-CB 3.81Å; F114-R432 HydrophobicContact CD1-CG 4.3Å; F114-R432 HydrophobicContact CD2-CB 4.27Å; F114-R432 HydrophobicContact CD2-CG 3.85Å; F114-R432 VanDerWaalsContact CE1-CA 3.47Å; F114-R432 HydrophobicContact CE1-CB 3.84Å; F114-R432 HydrophobicContact CE1-CG 4.27Å; F114-R432 HydrophobicContact CE2-CB 4.3Å; F114-R432 HydrophobicContact CE2-CG 3.82Å; F114-R432 HydrophobicContact CG-CB 4.05Å; F114-R432 HydrophobicContact CG-CG 4.11Å; F114-R432 HydrophobicContact CZ-CB 4.1Å; F114-R432 HydrophobicContact CZ-CG 4.04Å; V428-R432 WeakPolarHBondContact O-CB 3.4Å; V428-R432 PolarHBondContact O-N 3.06Å; S429-R432 PolarHBondContact O-N 3.31Å; A430-R432 VanDerWaalsContact C-N 3.32Å; A430-R432 PolarHBondContact O-N 2.94Å; R432-L434 VanDerWaalsContact C-N 3.3Å; R432-L434 PolarHBondContact O-N 2.99Å; R432-Y435 PolarHBondContact O-N 2.88Å; R432-Y435 VanDerWaalsContact O-N 3.11Å; R432-E436 HydrophobicContact CG-CG 4.17Å; R432-E436 WeakPolarHBondContact CG-OE2 3.43Å; R432-E436 IonicContact CZ-OE1 2.93Å; R432-E436 IonicContact CZ-OE2 3.77Å; R432-E436 IonicContact NE-OE1 3.92Å; R432-E436 PolarHBondContact NE-OE1 3.13Å; R432-E436 IonicContact NE-OE2 3.91Å; R432-E436 PolarHBondContact NE-OE2 3.1Å; R432-E436 IonicContact NH2-OE1 2.75Å; R432-E436 IonicContact NH2-OE2 3.98Å; R432-E436 PolarHBondContact NH2-OE2 3.4Å; R432-E436 WeakPolarHBondContact O-CB 3.5Å; R432-E436 PolarHBondContact O-N 3.33Å
433	V	91.5	Very high	89.6	Confident	48 Å²	48	31.1 Å²	31.1	29%	0.291	17%	0.172	S	C	.	.	H	α-helix	trans	-58.1	-45.6	176.6	168.4	0	0	0	0	110	S429 A430 Y435 T437 S883	S429-V433 WeakPolarHBondContact O-CB 3.34Å; S429-V433 VanDerWaalsContact O-CG2 3.28Å; S429-V433 WeakPolarHBondContact O-CG2 3.19Å; S429-V433 PolarHBondContact O-N 3.36Å; A430-V433 PolarHBondContact O-N 3.11Å; V433-Y435 VanDerWaalsContact C-N 3.29Å; V433-Y435 PolarHBondContact O-N 3Å; V433-T437 WeakPolarHBondContact O-CB 3.4Å; V433-T437 PolarHBondContact O-N 3.36Å; V433-T437 VanDerWaalsContact O-N 3.17Å; V433-T437 PolarHBondContact O-OG1 3.27Å; V433-S883 WeakPolarHBondContact CG1-OG 3.42Å
434	L	91.5	Very high	89.5	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-40.7	177.4	-172.3	63.1	0	0	0	111.3	F387 H391 I394 A430 I431 R432 R439 L874 Y885 F886	F387-L434 HydrophobicContact CE1-CD2 4.45Å; F387-L434 HydrophobicContact CE1-CG 4.34Å; F387-L434 HydrophobicContact CZ-CD2 4.37Å; F387-L434 HydrophobicContact CZ-CG 3.88Å; H391-L434 HydrophobicContact CB-CD2 4.1Å; I394-L434 HydrophobicContact CB-CD2 4.19Å; I394-L434 HydrophobicContact CD1-CD1 4.32Å; I394-L434 HydrophobicContact CD1-CD2 4.47Å; I394-L434 HydrophobicContact CG2-CD2 3.77Å; A430-L434 WeakPolarHBondContact O-CB 3.2Å; A430-L434 PolarHBondContact O-N 3.09Å; I431-L434 PolarHBondContact O-N 3.48Å; R432-L434 VanDerWaalsContact C-N 3.3Å; R432-L434 PolarHBondContact O-N 2.99Å; L434-R439 VanDerWaalsContact O-CZ 3.28Å; L434-R439 PolarHBondContact O-NH1 3.05Å; L434-R439 PolarHBondContact O-NH2 2.95Å; L434-L874 HydrophobicContact CD1-CD2 4.34Å; L434-Y885 HydrophobicContact CB-CD2 4.33Å; L434-Y885 HydrophobicContact CD1-CD2 4.12Å; L434-Y885 HydrophobicContact CD1-CG 4.09Å; L434-F886 HydrophobicContact CD1-CE1 4.27Å; L434-F886 HydrophobicContact CD1-CZ 4.24Å
435	Y	91	Very high	89.4	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-76.6	-52.1	-179.1	-173.2	-109.2	0	0	0	113.8	Y109 P110 F114 Y383 F384 F387 I431 R432 V433	Y109-Y435 WeakPolarHBondContact CD2-O 3.33Å; P110-Y435 WeakPolarHBondContact O-CE1 3.44Å; P110-Y435 PolarHBondContact O-OH 3.32Å; F114-Y435 HydrophobicContact CE2-CD1 4.39Å; F114-Y435 AromaticContact CZ-CD1 3.76Å; F114-Y435 HydrophobicContact CZ-CD1 3.76Å; F114-Y435 HydrophobicContact CZ-CG 4.19Å; Y383-Y435 AromaticContact CD1-CE2 3.73Å; Y383-Y435 HydrophobicContact CD1-CE2 3.73Å; Y383-Y435 AromaticContact CD1-CZ 3.89Å; Y383-Y435 WeakPolarHBondContact CD1-OH 3.43Å; Y383-Y435 AromaticContact CE1-CE2 3.56Å; Y383-Y435 HydrophobicContact CE1-CE2 3.56Å; Y383-Y435 AromaticContact CE1-CZ 3.91Å; Y383-Y435 WeakPolarHBondContact CE1-OH 3.24Å; F384-Y435 HydrophobicContact CD2-CD1 4.3Å; F384-Y435 AromaticContact CD2-CD2 3.62Å; F384-Y435 HydrophobicContact CD2-CD2 3.62Å; F384-Y435 HydrophobicContact CD2-CE1 4.27Å; F384-Y435 AromaticContact CD2-CE2 3.59Å; F384-Y435 HydrophobicContact CD2-CE2 3.59Å; F384-Y435 AromaticContact CD2-CG 3.97Å; F384-Y435 HydrophobicContact CD2-CG 3.97Å; F384-Y435 AromaticContact CD2-CZ 3.93Å; F384-Y435 HydrophobicContact CE2-CD1 4.44Å; F384-Y435 AromaticContact CE2-CD2 3.94Å; F384-Y435 HydrophobicContact CE2-CD2 3.94Å; F384-Y435 HydrophobicContact CE2-CE2 4.37Å; F384-Y435 AromaticContact CE2-CG 3.96Å; F384-Y435 HydrophobicContact CE2-CG 3.96Å; F387-Y435 HydrophobicContact CB-CD2 4.42Å; F387-Y435 HydrophobicContact CB-CE2 4.29Å; F387-Y435 AromaticContact CD1-CD2 3.58Å; F387-Y435 HydrophobicContact CD1-CD2 3.58Å; F387-Y435 HydrophobicContact CD1-CE2 4.26Å; F387-Y435 AromaticContact CD2-CD2 3.99Å; F387-Y435 HydrophobicContact CD2-CD2 3.99Å; F387-Y435 HydrophobicContact CD2-CE2 4.35Å; F387-Y435 AromaticContact CE1-CD2 3.68Å; F387-Y435 HydrophobicContact CE1-CD2 3.68Å; F387-Y435 HydrophobicContact CE1-CG 4.31Å; F387-Y435 HydrophobicContact CE2-CD2 4.06Å; F387-Y435 AromaticContact CG-CD2 3.73Å; F387-Y435 HydrophobicContact CG-CD2 3.73Å; F387-Y435 HydrophobicContact CG-CE2 4.05Å; F387-Y435 AromaticContact CZ-CD2 3.9Å; F387-Y435 HydrophobicContact CZ-CD2 3.9Å; I431-Y435 WeakPolarHBondContact O-CB 3.22Å; I431-Y435 PolarHBondContact O-N 2.94Å; R432-Y435 PolarHBondContact O-N 2.88Å; R432-Y435 VanDerWaalsContact O-N 3.11Å; V433-Y435 VanDerWaalsContact C-N 3.29Å; V433-Y435 PolarHBondContact O-N 3Å
436	E	89.1	Confident	89	Confident	80 Å²	80	28.2 Å²	28.2	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-81.9	-15.5	-168.9	-65.6	-176.9	164.7	0	0	114	F114 R432	F114-E436 HydrophobicContact CE2-CG 4.02Å; F114-E436 WeakPolarHBondContact CE2-OE1 3.49Å; F114-E436 HydrophobicContact CZ-CG 4.29Å; R432-E436 HydrophobicContact CG-CG 4.17Å; R432-E436 WeakPolarHBondContact CG-OE2 3.43Å; R432-E436 IonicContact CZ-OE1 2.93Å; R432-E436 IonicContact CZ-OE2 3.77Å; R432-E436 IonicContact NE-OE1 3.92Å; R432-E436 PolarHBondContact NE-OE1 3.13Å; R432-E436 IonicContact NE-OE2 3.91Å; R432-E436 PolarHBondContact NE-OE2 3.1Å; R432-E436 IonicContact NH2-OE1 2.75Å; R432-E436 IonicContact NH2-OE2 3.98Å; R432-E436 PolarHBondContact NH2-OE2 3.4Å; R432-E436 WeakPolarHBondContact O-CB 3.5Å; R432-E436 PolarHBondContact O-N 3.33Å
437	T	88.4	Confident	88.8	Confident	16 Å²	16	26.4 Å²	26.4	10%	0.098	14%	0.137	C	C	.	.	S	Bend	trans	-57.5	130.4	-178.3	-71	0	0	0	0	111.2	Y109 V433 R439 A876 T879 F886	Y109-T437 WeakPolarHBondContact CE2-O 3.37Å; V433-T437 WeakPolarHBondContact O-CB 3.4Å; V433-T437 PolarHBondContact O-N 3.36Å; V433-T437 VanDerWaalsContact O-N 3.17Å; V433-T437 PolarHBondContact O-OG1 3.27Å; T437-R439 PolarHBondContact O-N 2.94Å; T437-R439 PolarHBondContact O-NH1 3.34Å; T437-A876 HydrophobicContact CG2-CB 3.75Å; T437-T879 HydrophobicContact CG2-CG2 3.52Å; T437-F886 VanDerWaalsContact CB-CZ 3.48Å; T437-F886 HydrophobicContact CG2-CD2 4.25Å; T437-F886 HydrophobicContact CG2-CE1 4.26Å; T437-F886 HydrophobicContact CG2-CE2 3.52Å; T437-F886 HydrophobicContact CG2-CZ 3.54Å
438	P	85	Confident	88.4	Confident	40 Å²	40	27.5 Å²	27.5	26%	0.26	14%	0.143	S	C	.	.	P	Polyproline II helix	trans	-62.2	133.1	177.6	25.4	-35.2	0	0	0	110.8	A877 T879	P438-A877 HydrophobicContact CB-CB 4.2Å; P438-A877 HydrophobicContact CG-CB 4.41Å; P438-A877 PolarHBondContact O-N 2.9Å; P438-T879 HydrophobicContact CG-CG2 4.35Å
439	R	85	Confident	87.9	Confident	22 Å²	22	29.6 Å²	29.6	8%	0.083	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-101.1	155.4	178.9	-60.9	-57.8	-161.6	-73.4	-8.5	111.9	Y109 L434 T437 S441 S873	Y109-R439 VanDerWaalsContact OH-CB 3.3Å; Y109-R439 WeakPolarHBondContact OH-CB 3.43Å; Y109-R439 WeakPolarHBondContact OH-CG 3.49Å; L434-R439 VanDerWaalsContact O-CZ 3.28Å; L434-R439 PolarHBondContact O-NH1 3.05Å; L434-R439 PolarHBondContact O-NH2 2.95Å; T437-R439 PolarHBondContact O-N 2.94Å; T437-R439 PolarHBondContact O-NH1 3.34Å; R439-S441 PolarHBondContact O-N 2.94Å; R439-S873 VanDerWaalsContact CZ-O 3.28Å; R439-S873 PolarHBondContact NE-O 3.07Å; R439-S873 PolarHBondContact NH2-O 3.44Å; R439-S873 PolarHBondContact NH2-OG 3.33Å
440	F	78	Confident	87.2	Confident	3 Å²	3	29 Å²	29	1%	0.013	14%	0.143	C	C	.	.			trans	-73.7	114.1	174.2	-156.9	-93.4	0	0	0	109.3	Y442 P443 M566 L569 F570 Y831 I875	F440-Y442 VanDerWaalsContact C-N 3.25Å; F440-Y442 VanDerWaalsContact CE1-O 3.31Å; F440-Y442 WeakPolarHBondContact CE1-O 3.39Å; F440-Y442 PolarHBondContact O-N 3.09Å; F440-P443 WeakPolarHBondContact O-CD 3.32Å; F440-M566 HydrophobicContact CD2-CE 3.99Å; F440-M566 HydrophobicContact CE2-CE 3.88Å; F440-L569 HydrophobicContact CE2-CB 4.35Å; F440-F570 AromaticContact CE1-CD2 3.78Å; F440-F570 HydrophobicContact CE1-CD2 3.78Å; F440-F570 HydrophobicContact CE2-CB 4.35Å; F440-F570 HydrophobicContact CZ-CB 3.67Å; F440-F570 AromaticContact CZ-CD2 3.56Å; F440-F570 HydrophobicContact CZ-CD2 3.56Å; F440-F570 HydrophobicContact CZ-CG 4.07Å; F440-Y831 HydrophobicContact CD2-CE2 4.21Å; F440-Y831 HydrophobicContact CE1-CE2 4.16Å; F440-Y831 HydrophobicContact CE2-CD2 4.27Å; F440-Y831 AromaticContact CE2-CE2 3.38Å; F440-Y831 HydrophobicContact CE2-CE2 3.38Å; F440-Y831 AromaticContact CE2-CZ 3.82Å; F440-Y831 HydrophobicContact CZ-CD2 4.35Å; F440-Y831 AromaticContact CZ-CE2 3.34Å; F440-Y831 HydrophobicContact CZ-CE2 3.34Å; F440-Y831 AromaticContact CZ-CZ 3.95Å; F440-I875 HydrophobicContact CB-CG2 3.72Å; F440-I875 HydrophobicContact CG-CG2 4.37Å; F440-I875 PolarHBondContact N-O 3.46Å; F440-I875 VanDerWaalsContact N-O 3.11Å
441	S	73.7	Confident	86.5	Confident	29 Å²	29	30.9 Å²	30.9	20%	0.203	15%	0.154	C	C	.	.	S	Bend	trans	-60.5	-32	-167.5	-63.1	0	0	0	0	114.4	R439 Y831 R866	R439-S441 PolarHBondContact O-N 2.94Å; S441-Y831 PolarHBondContact N-OH 2.72Å; S441-R866 PolarHBondContact O-NH1 2.7Å
442	Y	77.3	Confident	85.6	Confident	31 Å²	31	32.7 Å²	32.7	12%	0.122	17%	0.169	C	C	.	.	S	Bend	trans	-144	82.7	-176.9	-58.7	-77.1	0	0	0	110.5	F440 V444 F835 R866	F440-Y442 VanDerWaalsContact C-N 3.25Å; F440-Y442 VanDerWaalsContact CE1-O 3.31Å; F440-Y442 WeakPolarHBondContact CE1-O 3.39Å; F440-Y442 PolarHBondContact O-N 3.09Å; Y442-V444 PolarHBondContact O-N 3.36Å; Y442-F835 AromaticContact CD2-CD1 3.5Å; Y442-F835 HydrophobicContact CD2-CD1 3.5Å; Y442-F835 VanDerWaalsContact CD2-CD1 3.5Å; Y442-F835 AromaticContact CD2-CE1 3.69Å; Y442-F835 HydrophobicContact CD2-CE1 3.69Å; Y442-F835 AromaticContact CD2-CG 3.95Å; Y442-F835 HydrophobicContact CD2-CG 3.95Å; Y442-F835 HydrophobicContact CD2-CZ 4.29Å; Y442-F835 HydrophobicContact CE2-CB 4.49Å; Y442-F835 HydrophobicContact CE2-CD1 4Å; Y442-F835 HydrophobicContact CE2-CG 4.37Å; Y442-F835 HydrophobicContact CG-CD1 4.25Å; Y442-F835 HydrophobicContact CG-CE1 4.01Å; Y442-R866 PolarHBondContact OH-NH1 3.19Å; Y442-R866 PolarHBondContact OH-NH2 2.89Å
443	P	88	Confident	85.1	Confident	2 Å²	2	32 Å²	32	1%	0.013	18%	0.175	C	C	.	.			trans	-57	129.6	171.4	-21.3	33.7	0	0	0	109	F440 W445 L446 T447 I875	F440-P443 WeakPolarHBondContact O-CD 3.32Å; P443-W445 PolarHBondContact O-N 3.41Å; P443-L446 HydrophobicContact CB-CB 4.31Å; P443-L446 HydrophobicContact CB-CD1 4.24Å; P443-L446 HydrophobicContact CB-CG 4.46Å; P443-L446 HydrophobicContact CG-CD1 4.21Å; P443-L446 PolarHBondContact O-N 2.7Å; P443-T447 WeakPolarHBondContact O-CB 3.39Å; P443-T447 PolarHBondContact O-N 2.97Å; P443-T447 PolarHBondContact O-OG1 3.02Å; P443-I875 HydrophobicContact CB-CD1 3.75Å; P443-I875 HydrophobicContact CG-CB 4.5Å; P443-I875 HydrophobicContact CG-CD1 3.97Å
444	V	91.3	Very high	84.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-50	-168.8	175.9	0	0	0	0	110.5	Y442 L446 T447 L448 F464 F570 S573 Y574	Y442-V444 PolarHBondContact O-N 3.36Å; V444-L446 PolarHBondContact O-N 3.15Å; V444-T447 PolarHBondContact O-N 3.15Å; V444-L448 HydrophobicContact CG1-CD1 3.69Å; V444-L448 HydrophobicContact CG1-CG 4.2Å; V444-L448 WeakPolarHBondContact O-CB 3.35Å; V444-L448 VanDerWaalsContact O-CG 3.26Å; V444-L448 WeakPolarHBondContact O-CG 3.24Å; V444-L448 PolarHBondContact O-N 3Å; V444-F464 HydrophobicContact CB-CD2 4.49Å; V444-F464 HydrophobicContact CG1-CD2 3.87Å; V444-F464 HydrophobicContact CG1-CE2 4.37Å; V444-F464 HydrophobicContact CG1-CG 4.4Å; V444-F464 HydrophobicContact CG2-CD2 4.08Å; V444-F570 HydrophobicContact CG2-CD2 3.42Å; V444-F570 VanDerWaalsContact CG2-CD2 3.42Å; V444-F570 HydrophobicContact CG2-CE1 4.49Å; V444-F570 HydrophobicContact CG2-CE2 3.16Å; V444-F570 HydrophobicContact CG2-CG 4.23Å; V444-F570 HydrophobicContact CG2-CZ 3.77Å; V444-F570 WeakPolarHBondContact CG2-O 3.31Å; V444-S573 VanDerWaalsContact CG2-OG 3.31Å; V444-S573 WeakPolarHBondContact CG2-OG 3.46Å; V444-S573 PolarHBondContact N-OG 3.34Å; V444-Y574 HydrophobicContact CG1-CD2 3.92Å; V444-Y574 HydrophobicContact CG1-CG 4.44Å
445	W	92.4	Very high	84.6	Confident	31 Å²	31	42.1 Å²	42.1	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-51	-179.4	176.8	-105.7	0	0	0	112.5	P443 T447 L448 M449 S573 R577 C578	P443-W445 PolarHBondContact O-N 3.41Å; W445-T447 VanDerWaalsContact C-N 3.32Å; W445-T447 PolarHBondContact O-N 3Å; W445-L448 PolarHBondContact O-N 3.42Å; W445-M449 HydrophobicContact CD2-CG 4.5Å; W445-M449 HydrophobicContact CH2-SD 4.19Å; W445-M449 HydrophobicContact CZ2-CG 4.27Å; W445-M449 HydrophobicContact CZ2-SD 3.81Å; W445-M449 WeakPolarHBondContact O-CG 3.36Å; W445-M449 PolarHBondContact O-N 2.97Å; W445-M449 VanDerWaalsContact O-N 3.09Å; W445-S573 WeakPolarHBondContact CB-O 3.43Å; W445-S573 PolarHBondContact N-O 3.38Å; W445-R577 HydrophobicContact CD2-CB 4.09Å; W445-R577 HydrophobicContact CD2-CG 3.64Å; W445-R577 HydrophobicContact CE3-CG 3.89Å; W445-R577 HydrophobicContact CG-CB 4.23Å; W445-R577 HydrophobicContact CG-CG 3.99Å; W445-R577 HydrophobicContact CZ2-CB 4.35Å; W445-R577 HydrophobicContact CZ2-CG 4.29Å; W445-R577 HydrophobicContact CZ3-CG 4.32Å; W445-C578 PolarHBondContact NE1-O 3.43Å
446	L	87.2	Confident	84.2	Confident	13 Å²	13	44.4 Å²	44.4	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-37.8	-179.1	-70.7	177.2	0	0	0	112.4	P443 V444 M449 H450	P443-L446 HydrophobicContact CB-CB 4.31Å; P443-L446 HydrophobicContact CB-CD1 4.24Å; P443-L446 HydrophobicContact CB-CG 4.46Å; P443-L446 HydrophobicContact CG-CD1 4.21Å; P443-L446 PolarHBondContact O-N 2.7Å; V444-L446 PolarHBondContact O-N 3.15Å; L446-M449 PolarHBondContact O-N 2.97Å; L446-H450 PolarHBondContact O-N 3.48Å
447	T	87.7	Confident	84.2	Confident	20 Å²	20	44.3 Å²	44.3	12%	0.123	23%	0.231	C	C	.	.	H	α-helix	trans	-70.4	-35.6	178.4	-48.6	0	0	0	0	111.4	P443 V444 W445 M449 H450 P451 L460	P443-T447 WeakPolarHBondContact O-CB 3.39Å; P443-T447 PolarHBondContact O-N 2.97Å; P443-T447 PolarHBondContact O-OG1 3.02Å; V444-T447 PolarHBondContact O-N 3.15Å; W445-T447 VanDerWaalsContact C-N 3.32Å; W445-T447 PolarHBondContact O-N 3Å; T447-M449 VanDerWaalsContact C-N 3.32Å; T447-M449 PolarHBondContact O-N 2.66Å; T447-H450 CarbonylContact O-C 3.56Å; T447-H450 VanDerWaalsContact O-C 3.26Å; T447-H450 PolarHBondContact O-N 2.91Å; T447-P451 WeakPolarHBondContact O-CA 3.26Å; T447-P451 VanDerWaalsContact O-N 3.15Å; T447-L460 HydrophobicContact CG2-CD2 3.68Å
448	L	88.1	Confident	84.2	Confident	25 Å²	25	50.7 Å²	50.7	13%	0.131	25%	0.254	C	S	.	.	H	α-helix	trans	-69.9	-27.1	175.4	-72.7	175.6	0	0	0	113.4	V444 W445 P451 K457 L460 D461 Y574 M979	V444-L448 HydrophobicContact CG1-CD1 3.69Å; V444-L448 HydrophobicContact CG1-CG 4.2Å; V444-L448 WeakPolarHBondContact O-CB 3.35Å; V444-L448 VanDerWaalsContact O-CG 3.26Å; V444-L448 WeakPolarHBondContact O-CG 3.24Å; V444-L448 PolarHBondContact O-N 3Å; W445-L448 PolarHBondContact O-N 3.42Å; L448-P451 WeakPolarHBondContact O-CD 3.34Å; L448-K457 HydrophobicContact CD2-CG 4.17Å; L448-L460 HydrophobicContact CD2-CD2 3.82Å; L448-L460 HydrophobicContact CD2-CG 4.35Å; L448-L460 HydrophobicContact CG-CD2 3.88Å; L448-D461 WeakPolarHBondContact CD2-OD1 3.19Å; L448-Y574 HydrophobicContact CD1-CD2 4.02Å; L448-Y574 HydrophobicContact CD1-CE2 3.97Å; L448-M979 HydrophobicContact CD1-CE 3.99Å
449	M	84.4	Confident	84.3	Confident	59 Å²	59	54 Å²	54	29%	0.291	27%	0.266	S	S	.	.	H	α-helix	trans	-71.5	-36.3	175.3	-71	-65	-69.3	0	0	112.3	W445 L446 T447 R698	W445-M449 HydrophobicContact CD2-CG 4.5Å; W445-M449 HydrophobicContact CH2-SD 4.19Å; W445-M449 HydrophobicContact CZ2-CG 4.27Å; W445-M449 HydrophobicContact CZ2-SD 3.81Å; W445-M449 WeakPolarHBondContact O-CG 3.36Å; W445-M449 PolarHBondContact O-N 2.97Å; W445-M449 VanDerWaalsContact O-N 3.09Å; L446-M449 PolarHBondContact O-N 2.97Å; T447-M449 VanDerWaalsContact C-N 3.32Å; T447-M449 PolarHBondContact O-N 2.66Å; M449-R698 WeakPolarHBondContact CE-O 3.39Å
450	H	81	Confident	84.5	Confident	53 Å²	53	53.6 Å²	53.6	25%	0.245	27%	0.265	C	S	.	.	S	Bend	trans	-131.4	68.2	-179.9	-61.9	107	0	0	0	111.5	L446 T447 A452 S580 E582	L446-H450 PolarHBondContact O-N 3.48Å; T447-H450 CarbonylContact O-C 3.56Å; T447-H450 VanDerWaalsContact O-C 3.26Å; T447-H450 PolarHBondContact O-N 2.91Å; H450-A452 PolarHBondContact O-N 2.7Å; H450-S580 VanDerWaalsContact CE1-CB 3.43Å; H450-S580 WeakPolarHBondContact CE1-CB 3.46Å; H450-S580 PolarHBondContact CE1-OG 3.33Å; H450-S580 PolarHBondContact ND1-OG 3.22Å; H450-E582 IonicContact CD2-OE1 3.44Å; H450-E582 PolarHBondContact CD2-OE1 3.35Å; H450-E582 IonicContact CE1-OE1 2.68Å; H450-E582 IonicContact CG-OE1 3.06Å; H450-E582 IonicContact NE2-OE1 3.85Å; H450-E582 PolarHBondContact NE2-OE1 3Å; H450-E582 VanDerWaalsContact NE2-OE1 3.12Å; H450-E582 IonicContact NE2-OE2 3.56Å
451	P	78.7	Confident	85.2	Confident	48 Å²	48	53.6 Å²	53.6	31%	0.312	27%	0.265	S	S	.	.			trans	-67.6	134.9	175.2	29	-32.7	0	0	0	108.9	T447 L448 D453 K457	T447-P451 WeakPolarHBondContact O-CA 3.26Å; T447-P451 VanDerWaalsContact O-N 3.15Å; L448-P451 WeakPolarHBondContact O-CD 3.34Å; P451-D453 VanDerWaalsContact C-N 3.27Å; P451-D453 PolarHBondContact O-N 2.92Å; P451-K457 HydrophobicContact CB-CB 3.92Å; P451-K457 HydrophobicContact CG-CB 4.38Å
452	A	75.9	Confident	86	Confident	40 Å²	40	54.2 Å²	54.2	33%	0.331	27%	0.272	S	S	.	.	S	Bend	trans	-59.9	-43.8	175.4	0	0	0	0	0	110.4	H450	H450-A452 PolarHBondContact O-N 2.7Å
453	D	82.5	Confident	86.7	Confident	109 Å²	109	53.7 Å²	53.7	58%	0.583	27%	0.272	S	S	*	.	S	Bend	trans	-144.1	160	179.1	-67.1	-51.5	0	0	0	112	P451 T455 Q456 K457	P451-D453 VanDerWaalsContact C-N 3.27Å; P451-D453 PolarHBondContact O-N 2.92Å; D453-T455 PolarHBondContact O-N 3.26Å; D453-Q456 WeakPolarHBondContact O-CB 3.38Å; D453-Q456 PolarHBondContact O-N 2.72Å; D453-Q456 VanDerWaalsContact O-N 3.16Å; D453-K457 PolarHBondContact O-N 3.16Å; D453-K457 VanDerWaalsContact O-N 3.15Å
454	K	85.9	Confident	87	Confident	173 Å²	173	53.6 Å²	53.6	75%	0.752	27%	0.272	S	S	*	.	H	α-helix	trans	-58.9	-32.5	175.1	-69.7	-176	-179.9	179.6	0	112.6	K457 R458	K454-K457 PolarHBondContact O-N 3.38Å; K454-R458 WeakPolarHBondContact O-CG 3.27Å; K454-R458 PolarHBondContact O-N 3.27Å; K454-R458 VanDerWaalsContact O-N 3.11Å
455	T	85.8	Confident	87.2	Confident	89 Å²	89	53.8 Å²	53.8	55%	0.546	27%	0.273	S	S	.	.	H	α-helix	trans	-65.4	-45.4	177.1	-50.9	0	0	0	0	111	D453 K457 R458 Q459	D453-T455 PolarHBondContact O-N 3.26Å; T455-K457 VanDerWaalsContact C-N 3.33Å; T455-K457 PolarHBondContact O-N 2.93Å; T455-R458 PolarHBondContact O-N 2.99Å; T455-Q459 WeakPolarHBondContact O-CG 3.32Å; T455-Q459 PolarHBondContact O-N 2.7Å
456	Q	83.8	Confident	87.3	Confident	50 Å²	50	55.8 Å²	55.8	23%	0.234	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-43.4	176.6	-171	-171.6	39.5	0	0	111.3	D453 R458 Q459 L460	D453-Q456 WeakPolarHBondContact O-CB 3.38Å; D453-Q456 PolarHBondContact O-N 2.72Å; D453-Q456 VanDerWaalsContact O-N 3.16Å; Q456-R458 PolarHBondContact O-N 3.26Å; Q456-Q459 PolarHBondContact O-N 3.24Å; Q456-L460 WeakPolarHBondContact O-CB 3.32Å; Q456-L460 PolarHBondContact O-N 3.04Å
457	K	87.6	Confident	87.7	Confident	77 Å²	77	55.4 Å²	55.4	34%	0.335	28%	0.278	S	S	.	.	H	α-helix	trans	-56.4	-51.3	174.9	-177.9	-176.9	169.1	66.9	0	111.4	L448 P451 D453 K454 T455 Q459 L460 D461	L448-K457 HydrophobicContact CD2-CG 4.17Å; P451-K457 HydrophobicContact CB-CB 3.92Å; P451-K457 HydrophobicContact CG-CB 4.38Å; D453-K457 PolarHBondContact O-N 3.16Å; D453-K457 VanDerWaalsContact O-N 3.15Å; K454-K457 PolarHBondContact O-N 3.38Å; T455-K457 VanDerWaalsContact C-N 3.33Å; T455-K457 PolarHBondContact O-N 2.93Å; K457-Q459 VanDerWaalsContact C-N 3.35Å; K457-Q459 PolarHBondContact O-N 3.39Å; K457-L460 PolarHBondContact O-N 2.69Å; K457-D461 VanDerWaalsContact O-CG 3.27Å; K457-D461 PolarHBondContact O-N 3.21Å
458	R	88.3	Confident	88	Confident	150 Å²	150	54.4 Å²	54.4	57%	0.566	27%	0.272	S	S	*	.	H	α-helix	trans	-61.9	-40.6	-179.7	-73	177.7	178.1	174.5	-0.9	112.7	K454 T455 Q456 A462	K454-R458 WeakPolarHBondContact O-CG 3.27Å; K454-R458 PolarHBondContact O-N 3.27Å; K454-R458 VanDerWaalsContact O-N 3.11Å; T455-R458 PolarHBondContact O-N 2.99Å; Q456-R458 PolarHBondContact O-N 3.26Å; R458-A462 VanDerWaalsContact O-CB 3.31Å; R458-A462 WeakPolarHBondContact O-CB 3.47Å; R458-A462 PolarHBondContact O-N 3.48Å
459	Q	88.3	Confident	88.4	Confident	111 Å²	111	54.8 Å²	54.8	52%	0.519	27%	0.274	S	S	.	.	H	α-helix	trans	-64.8	-40.7	176.3	-73.3	172.6	-9.2	0	0	111.7	T455 Q456 K457 T463	T455-Q459 WeakPolarHBondContact O-CG 3.32Å; T455-Q459 PolarHBondContact O-N 2.7Å; Q456-Q459 PolarHBondContact O-N 3.24Å; K457-Q459 VanDerWaalsContact C-N 3.35Å; K457-Q459 PolarHBondContact O-N 3.39Å; Q459-T463 VanDerWaalsContact O-CB 3.28Å; Q459-T463 WeakPolarHBondContact O-CB 3.29Å; Q459-T463 PolarHBondContact O-N 3.04Å; Q459-T463 PolarHBondContact O-OG1 3.31Å
460	L	89.9	Confident	88.9	Confident	12 Å²	12	53.6 Å²	53.6	6%	0.063	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-46.3	176.4	-175.6	62.4	0	0	0	111.2	T447 L448 Q456 K457 A462 T463 F464 F570 F835	T447-L460 HydrophobicContact CG2-CD2 3.68Å; L448-L460 HydrophobicContact CD2-CD2 3.82Å; L448-L460 HydrophobicContact CD2-CG 4.35Å; L448-L460 HydrophobicContact CG-CD2 3.88Å; Q456-L460 WeakPolarHBondContact O-CB 3.32Å; Q456-L460 PolarHBondContact O-N 3.04Å; K457-L460 PolarHBondContact O-N 2.69Å; L460-A462 PolarHBondContact O-N 2.61Å; L460-T463 PolarHBondContact O-N 3.09Å; L460-F464 VanDerWaalsContact O-CB 3.28Å; L460-F464 WeakPolarHBondContact O-CB 3.49Å; L460-F464 PolarHBondContact O-N 3.06Å; L460-F570 HydrophobicContact CD1-CE2 4.09Å; L460-F570 HydrophobicContact CD1-CZ 3.99Å; L460-F835 HydrophobicContact CD1-CE1 4.39Å; L460-F835 HydrophobicContact CD1-CZ 4.38Å
461	D	91.5	Very high	89.6	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-49	176.3	-68.6	-23.5	0	0	0	110.7	L448 K457 T463 F464 L465 M979	L448-D461 WeakPolarHBondContact CD2-OD1 3.19Å; K457-D461 VanDerWaalsContact O-CG 3.27Å; K457-D461 PolarHBondContact O-N 3.21Å; D461-T463 VanDerWaalsContact C-N 3.3Å; D461-T463 PolarHBondContact O-N 3.03Å; D461-F464 PolarHBondContact O-N 3.31Å; D461-L465 WeakPolarHBondContact O-CB 3.16Å; D461-L465 VanDerWaalsContact O-CG 3.32Å; D461-L465 WeakPolarHBondContact O-CG 3.46Å; D461-L465 PolarHBondContact O-N 2.81Å; D461-M979 HydrophobicContact CB-CG 4.17Å
462	A	91.5	Very high	90.3	Very high	41 Å²	41	49.1 Å²	49.1	34%	0.339	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-40.3	178.3	0	0	0	0	0	112.3	R458 L460 R466 T975	R458-A462 VanDerWaalsContact O-CB 3.31Å; R458-A462 WeakPolarHBondContact O-CB 3.47Å; R458-A462 PolarHBondContact O-N 3.48Å; L460-A462 PolarHBondContact O-N 2.61Å; A462-R466 VanDerWaalsContact O-CB 3.26Å; A462-R466 WeakPolarHBondContact O-CB 3.5Å; A462-R466 PolarHBondContact O-N 3.45Å; A462-T975 HydrophobicContact CB-CG2 3.96Å
463	T	92	Very high	91.2	Very high	20 Å²	20	50.4 Å²	50.4	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-72.7	-44.1	179.8	-60.8	0	0	0	0	112	Q459 L460 D461 L465 R466 V467 F570 V834	Q459-T463 VanDerWaalsContact O-CB 3.28Å; Q459-T463 WeakPolarHBondContact O-CB 3.29Å; Q459-T463 PolarHBondContact O-N 3.04Å; Q459-T463 PolarHBondContact O-OG1 3.31Å; L460-T463 PolarHBondContact O-N 3.09Å; D461-T463 VanDerWaalsContact C-N 3.3Å; D461-T463 PolarHBondContact O-N 3.03Å; T463-L465 PolarHBondContact O-N 2.9Å; T463-R466 PolarHBondContact O-N 3.36Å; T463-R466 PolarHBondContact OG1-NH2 3.12Å; T463-R466 VanDerWaalsContact OG1-NH2 3.15Å; T463-V467 HydrophobicContact CG2-CG2 4.42Å; T463-V467 WeakPolarHBondContact O-CG2 3.24Å; T463-V467 PolarHBondContact O-N 3.34Å; T463-F570 HydrophobicContact CG2-CE1 4.16Å; T463-F570 HydrophobicContact CG2-CZ 4.2Å; T463-V834 HydrophobicContact CG2-CB 4.12Å; T463-V834 HydrophobicContact CG2-CG1 3.27Å; T463-V834 HydrophobicContact CG2-CG2 3.79Å
464	F	94.3	Very high	91.7	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-53.7	-54.2	174.8	174.9	-94.7	0	0	0	110.6	V444 L460 D461 R466 V467 F468 F570 I571 Y574 M979 L982	V444-F464 HydrophobicContact CB-CD2 4.49Å; V444-F464 HydrophobicContact CG1-CD2 3.87Å; V444-F464 HydrophobicContact CG1-CE2 4.37Å; V444-F464 HydrophobicContact CG1-CG 4.4Å; V444-F464 HydrophobicContact CG2-CD2 4.08Å; L460-F464 VanDerWaalsContact O-CB 3.28Å; L460-F464 WeakPolarHBondContact O-CB 3.49Å; L460-F464 PolarHBondContact O-N 3.06Å; D461-F464 PolarHBondContact O-N 3.31Å; F464-R466 PolarHBondContact O-N 3.46Å; F464-V467 PolarHBondContact O-N 3.21Å; F464-F468 HydrophobicContact CE1-CD2 4.39Å; F464-F468 HydrophobicContact CZ-CD2 4.25Å; F464-F468 WeakPolarHBondContact O-CB 3.37Å; F464-F468 PolarHBondContact O-N 2.92Å; F464-F570 HydrophobicContact CB-CE1 4.31Å; F464-F570 HydrophobicContact CB-CZ 4.4Å; F464-F570 HydrophobicContact CD2-CE1 4.46Å; F464-I571 HydrophobicContact CD2-CD1 3.7Å; F464-I571 HydrophobicContact CE2-CD1 3.57Å; F464-I571 HydrophobicContact CE2-CG2 4.41Å; F464-I571 HydrophobicContact CG-CD1 4.42Å; F464-I571 HydrophobicContact CZ-CD1 4.16Å; F464-Y574 VanDerWaalsContact CE2-CB 3.47Å; F464-Y574 HydrophobicContact CE2-CD1 4.35Å; F464-Y574 AromaticContact CE2-CG 3.9Å; F464-Y574 HydrophobicContact CE2-CG 3.9Å; F464-Y574 AromaticContact CZ-CD1 3.82Å; F464-Y574 HydrophobicContact CZ-CD1 3.82Å; F464-Y574 HydrophobicContact CZ-CD2 4.45Å; F464-Y574 HydrophobicContact CZ-CE1 4.45Å; F464-Y574 AromaticContact CZ-CG 3.79Å; F464-Y574 HydrophobicContact CZ-CG 3.79Å; F464-M979 HydrophobicContact CD1-CE 4.15Å; F464-M979 HydrophobicContact CD1-SD 3.53Å; F464-M979 VanDerWaalsContact CD1-SD 3.53Å; F464-M979 HydrophobicContact CE1-CE 4.34Å; F464-M979 HydrophobicContact CE1-SD 3.91Å; F464-M979 HydrophobicContact CG-SD 4.5Å; F464-L982 HydrophobicContact CE1-CD1 3.71Å; F464-L982 HydrophobicContact CZ-CD1 4.42Å
465	L	95.5	Very high	92.1	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-47.3	179.4	-71.8	171	0	0	0	111.1	D461 T463 V467 F468 N469 T965 M969 T975 C978 M979	D461-L465 WeakPolarHBondContact O-CB 3.16Å; D461-L465 VanDerWaalsContact O-CG 3.32Å; D461-L465 WeakPolarHBondContact O-CG 3.46Å; D461-L465 PolarHBondContact O-N 2.81Å; T463-L465 PolarHBondContact O-N 2.9Å; L465-V467 VanDerWaalsContact C-N 3.33Å; L465-V467 PolarHBondContact O-N 3.22Å; L465-F468 WeakPolarHBondContact O-CB 3.49Å; L465-F468 PolarHBondContact O-N 3.25Å; L465-F468 VanDerWaalsContact O-N 3.11Å; L465-N469 PolarHBondContact O-N 2.96Å; L465-T965 HydrophobicContact CD2-CG2 4.27Å; L465-M969 HydrophobicContact CB-CE 3.77Å; L465-M969 HydrophobicContact CB-SD 3.67Å; L465-M969 HydrophobicContact CD2-SD 3.99Å; L465-M969 HydrophobicContact CG-SD 4.39Å; L465-M969 WeakPolarHBondContact O-CE 3.41Å; L465-T975 HydrophobicContact CD1-CG2 3.94Å; L465-C978 HydrophobicContact CD1-CB 3.59Å; L465-C978 HydrophobicContact CD2-CB 3.71Å; L465-C978 HydrophobicContact CG-CB 4.31Å; L465-M979 HydrophobicContact CD1-CG 4.24Å; L465-M979 HydrophobicContact CD1-SD 4.46Å; L465-M979 HydrophobicContact CD2-SD 4.05Å; L465-M979 HydrophobicContact CG-CG 4.48Å; L465-M979 HydrophobicContact CG-SD 4.06Å
466	R	94.2	Very high	92.4	Very high	73 Å²	73	37.8 Å²	37.8	28%	0.275	19%	0.185	S	C	.	.	H	α-helix	trans	-55.8	-46	177.7	176.7	173.4	45.7	72.3	-2.8	112.3	A462 T463 F464 Q470	A462-R466 VanDerWaalsContact O-CB 3.26Å; A462-R466 WeakPolarHBondContact O-CB 3.5Å; A462-R466 PolarHBondContact O-N 3.45Å; T463-R466 PolarHBondContact O-N 3.36Å; T463-R466 PolarHBondContact OG1-NH2 3.12Å; T463-R466 VanDerWaalsContact OG1-NH2 3.15Å; F464-R466 PolarHBondContact O-N 3.46Å; R466-Q470 WeakPolarHBondContact O-CG 3.42Å; R466-Q470 PolarHBondContact O-N 2.87Å; R466-Q470 VanDerWaalsContact O-N 3.08Å
467	V	94.4	Very high	92.9	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-68.2	-39.6	177.2	176.9	0	0	0	0	111	T463 F464 L465 N469 Q470 L471 K567 F570 I571	T463-V467 HydrophobicContact CG2-CG2 4.42Å; T463-V467 WeakPolarHBondContact O-CG2 3.24Å; T463-V467 PolarHBondContact O-N 3.34Å; F464-V467 PolarHBondContact O-N 3.21Å; L465-V467 VanDerWaalsContact C-N 3.33Å; L465-V467 PolarHBondContact O-N 3.22Å; V467-N469 VanDerWaalsContact C-N 3.34Å; V467-N469 PolarHBondContact O-N 3.43Å; V467-Q470 WeakPolarHBondContact O-CB 3.4Å; V467-Q470 PolarHBondContact O-N 2.69Å; V467-L471 HydrophobicContact CG1-CD1 4.31Å; V467-L471 HydrophobicContact CG1-CG 4.43Å; V467-L471 WeakPolarHBondContact O-CG 3.33Å; V467-L471 PolarHBondContact O-N 2.74Å; V467-K567 HydrophobicContact CG1-CB 3.8Å; V467-K567 HydrophobicContact CG1-CD 4.44Å; V467-K567 HydrophobicContact CG1-CG 3.97Å; V467-F570 HydrophobicContact CB-CD1 4.03Å; V467-F570 HydrophobicContact CB-CE1 4.2Å; V467-F570 HydrophobicContact CG1-CD1 4.02Å; V467-F570 HydrophobicContact CG2-CD1 4.12Å; V467-F570 HydrophobicContact CG2-CE1 4.09Å; V467-I571 HydrophobicContact CB-CD1 4.19Å; V467-I571 HydrophobicContact CG1-CD1 4.04Å; V467-I571 HydrophobicContact CG1-CG1 4.14Å
468	F	95.8	Very high	93.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-47.8	176.4	-173.6	-85.6	0	0	0	110.8	F464 L465 L471 A472 L488 I571 F575 V962 T965 L982	F464-F468 HydrophobicContact CE1-CD2 4.39Å; F464-F468 HydrophobicContact CZ-CD2 4.25Å; F464-F468 WeakPolarHBondContact O-CB 3.37Å; F464-F468 PolarHBondContact O-N 2.92Å; L465-F468 WeakPolarHBondContact O-CB 3.49Å; L465-F468 PolarHBondContact O-N 3.25Å; L465-F468 VanDerWaalsContact O-N 3.11Å; F468-L471 PolarHBondContact O-N 3.27Å; F468-A472 WeakPolarHBondContact O-CB 3.47Å; F468-A472 PolarHBondContact O-N 2.81Å; F468-L488 HydrophobicContact CE2-CD1 4.15Å; F468-L488 HydrophobicContact CZ-CD1 4.48Å; F468-I571 HydrophobicContact CB-CD1 3.89Å; F468-I571 HydrophobicContact CD2-CD1 4.33Å; F468-I571 HydrophobicContact CD2-CG2 3.85Å; F468-I571 HydrophobicContact CE2-CG2 4.3Å; F468-F575 HydrophobicContact CE2-CE2 4.41Å; F468-F575 HydrophobicContact CE2-CZ 4.33Å; F468-V962 HydrophobicContact CE1-CG1 4.24Å; F468-V962 HydrophobicContact CZ-CB 4.41Å; F468-V962 HydrophobicContact CZ-CG1 4.29Å; F468-V962 HydrophobicContact CZ-CG2 4.02Å; F468-T965 HydrophobicContact CD1-CG2 4.13Å; F468-T965 HydrophobicContact CE1-CG2 3.9Å; F468-L982 HydrophobicContact CZ-CD2 4.31Å
469	N	94.9	Very high	93.1	Very high	32 Å²	32	44 Å²	44	17%	0.171	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-39	177.5	-169.4	32.3	0	0	0	112.8	L465 V467 L471 A472 N473 M969	L465-N469 PolarHBondContact O-N 2.96Å; V467-N469 VanDerWaalsContact C-N 3.34Å; V467-N469 PolarHBondContact O-N 3.43Å; N469-L471 VanDerWaalsContact C-N 3.33Å; N469-L471 PolarHBondContact O-N 2.81Å; N469-A472 PolarHBondContact O-N 2.84Å; N469-N473 WeakPolarHBondContact O-CB 3.49Å; N469-N473 VanDerWaalsContact O-CG 3.3Å; N469-N473 PolarHBondContact O-N 3.43Å; N469-N473 PolarHBondContact O-ND2 3.45Å; N469-N473 PolarHBondContact OD1-ND2 2.9Å; N469-N473 VanDerWaalsContact OD1-ND2 3.14Å; N469-M969 HydrophobicContact CB-CE 3.44Å; N469-M969 VanDerWaalsContact CB-CE 3.44Å; N469-M969 HydrophobicContact CB-SD 3.71Å
470	Q	94.4	Very high	93.3	Very high	35 Å²	35	38.8 Å²	38.8	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-45.6	174	-74.9	-179.3	1	0	0	111.5	R466 V467 T474 K567 P826	R466-Q470 WeakPolarHBondContact O-CG 3.42Å; R466-Q470 PolarHBondContact O-N 2.87Å; R466-Q470 VanDerWaalsContact O-N 3.08Å; V467-Q470 WeakPolarHBondContact O-CB 3.4Å; V467-Q470 PolarHBondContact O-N 2.69Å; Q470-T474 WeakPolarHBondContact O-CB 3.28Å; Q470-T474 PolarHBondContact O-N 3.37Å; Q470-T474 VanDerWaalsContact O-N 3.16Å; Q470-T474 PolarHBondContact O-OG1 3.41Å; Q470-K567 VanDerWaalsContact OE1-NZ 3.17Å; Q470-P826 PolarHBondContact NE2-O 3.31Å
471	L	95.9	Very high	93.3	Very high	4 Å²	4	43 Å²	43	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-41	177.7	-68.9	-178.6	0	0	0	112	V467 F468 N469 N473 T474 C475 L484 F564 K567 I568 I571	V467-L471 HydrophobicContact CG1-CD1 4.31Å; V467-L471 HydrophobicContact CG1-CG 4.43Å; V467-L471 WeakPolarHBondContact O-CG 3.33Å; V467-L471 PolarHBondContact O-N 2.74Å; F468-L471 PolarHBondContact O-N 3.27Å; N469-L471 VanDerWaalsContact C-N 3.33Å; N469-L471 PolarHBondContact O-N 2.81Å; L471-N473 VanDerWaalsContact C-N 3.31Å; L471-N473 PolarHBondContact O-N 2.79Å; L471-T474 PolarHBondContact O-N 3.37Å; L471-T474 VanDerWaalsContact O-N 3.14Å; L471-C475 WeakPolarHBondContact O-CA 3.5Å; L471-C475 VanDerWaalsContact O-CB 3.31Å; L471-C475 WeakPolarHBondContact O-CB 3.32Å; L471-C475 PolarHBondContact O-N 3.1Å; L471-L484 HydrophobicContact CB-CD2 4.25Å; L471-F564 HydrophobicContact CD2-CD2 4.12Å; L471-F564 HydrophobicContact CD2-CE2 3.64Å; L471-F564 HydrophobicContact CD2-CZ 4.41Å; L471-K567 HydrophobicContact CD1-CB 4.19Å; L471-K567 HydrophobicContact CD2-CB 4.07Å; L471-K567 HydrophobicContact CG-CB 4.35Å; L471-I568 HydrophobicContact CD1-CG1 4.06Å; L471-I568 HydrophobicContact CD2-CG1 4.17Å; L471-I571 HydrophobicContact CD1-CB 4.37Å; L471-I571 HydrophobicContact CD1-CG1 3.66Å
472	A	95.2	Very high	93.5	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-43.9	176.3	0	0	0	0	0	111.2	F468 N469 T474 D476 L484 V962 K966	F468-A472 WeakPolarHBondContact O-CB 3.47Å; F468-A472 PolarHBondContact O-N 2.81Å; N469-A472 PolarHBondContact O-N 2.84Å; A472-T474 VanDerWaalsContact C-N 3.3Å; A472-T474 PolarHBondContact O-N 3.04Å; A472-D476 HydrophobicContact CB-CB 4.5Å; A472-D476 WeakPolarHBondContact O-CA 3.44Å; A472-D476 WeakPolarHBondContact O-CB 3.18Å; A472-D476 PolarHBondContact O-N 2.81Å; A472-L484 HydrophobicContact CB-CD2 3.94Å; A472-V962 HydrophobicContact CB-CG1 3.95Å; A472-K966 HydrophobicContact CB-CD 4.44Å
473	N	93.6	Very high	93.7	Very high	68 Å²	68	45.3 Å²	45.3	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-67	-28.7	176.8	-72.8	-39	0	0	0	114.2	N469 L471 K966	N469-N473 WeakPolarHBondContact O-CB 3.49Å; N469-N473 VanDerWaalsContact O-CG 3.3Å; N469-N473 PolarHBondContact O-N 3.43Å; N469-N473 PolarHBondContact O-ND2 3.45Å; N469-N473 PolarHBondContact OD1-ND2 2.9Å; N469-N473 VanDerWaalsContact OD1-ND2 3.14Å; L471-N473 VanDerWaalsContact C-N 3.31Å; L471-N473 PolarHBondContact O-N 2.79Å; N473-K966 WeakPolarHBondContact OD1-CE 2.77Å; N473-K966 PolarHBondContact OD1-NZ 2.85Å
474	T	92.9	Very high	93.9	Very high	75 Å²	75	44.6 Å²	44.6	46%	0.46	21%	0.213	S	C	.	.	H	α-helix	trans	-93.4	-33.2	-175.2	-50.8	0	0	0	0	112.4	Q470 L471 A472 F564	Q470-T474 WeakPolarHBondContact O-CB 3.28Å; Q470-T474 PolarHBondContact O-N 3.37Å; Q470-T474 VanDerWaalsContact O-N 3.16Å; Q470-T474 PolarHBondContact O-OG1 3.41Å; L471-T474 PolarHBondContact O-N 3.37Å; L471-T474 VanDerWaalsContact O-N 3.14Å; A472-T474 VanDerWaalsContact C-N 3.3Å; A472-T474 PolarHBondContact O-N 3.04Å; T474-F564 HydrophobicContact CG2-CE2 4.41Å
475	C	93.5	Very high	94.1	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-127.7	-8.9	-163.2	-48.6	0	0	0	0	113.6	L471 V477 S480 F483 L484 F564 W932	L471-C475 WeakPolarHBondContact O-CA 3.5Å; L471-C475 VanDerWaalsContact O-CB 3.31Å; L471-C475 WeakPolarHBondContact O-CB 3.32Å; L471-C475 PolarHBondContact O-N 3.1Å; C475-V477 VanDerWaalsContact C-N 3.32Å; C475-S480 WeakPolarHBondContact CA-OG 3.43Å; C475-S480 PolarHBondContact O-OG 3.4Å; C475-F483 HydrophobicContact CB-CB 4.4Å; C475-F483 HydrophobicContact CB-CD1 4.21Å; C475-F483 WeakPolarHBondContact O-CB 3.35Å; C475-F483 PolarHBondContact O-N 2.89Å; C475-L484 HydrophobicContact CB-CB 4.44Å; C475-L484 PolarHBondContact O-N 2.95Å; C475-F564 VanDerWaalsContact SG-CE2 3.56Å; C475-F564 WeakPolarHBondContact SG-CZ 3.28Å; C475-W932 HydrophobicContact CB-CH2 4.45Å; C475-W932 HydrophobicContact CB-CZ3 3.9Å; C475-W932 VanDerWaalsContact SG-CZ3 3.59Å
476	D	93.8	Very high	94.1	Very high	28 Å²	28	44.7 Å²	44.7	15%	0.15	21%	0.214	C	C	.	.	S	Bend	trans	-102.8	41.8	174.7	-149.2	49.5	0	0	0	111.4	A472 L484 S485 V962	A472-D476 HydrophobicContact CB-CB 4.5Å; A472-D476 WeakPolarHBondContact O-CA 3.44Å; A472-D476 WeakPolarHBondContact O-CB 3.18Å; A472-D476 PolarHBondContact O-N 2.81Å; D476-L484 HydrophobicContact CB-CB 4.05Å; D476-S485 VanDerWaalsContact CG-OG 3.22Å; D476-S485 VanDerWaalsContact OD1-CB 3.22Å; D476-S485 WeakPolarHBondContact OD1-CB 3.35Å; D476-S485 PolarHBondContact OD1-N 2.8Å; D476-S485 PolarHBondContact OD1-OG 3.43Å; D476-S485 PolarHBondContact OD2-OG 3.43Å; D476-V962 HydrophobicContact CB-CG1 4.31Å; D476-V962 VanDerWaalsContact OD2-CG1 3.25Å; D476-V962 WeakPolarHBondContact OD2-CG1 3.49Å
477	V	93.4	Very high	94.3	Very high	48 Å²	48	41.3 Å²	41.3	29%	0.291	20%	0.201	S	C	.	.	S	Bend	trans	-112.6	165.2	177.4	-61.8	0	0	0	0	110.3	C475 E479 S480 N481 F482	C475-V477 VanDerWaalsContact C-N 3.32Å; V477-E479 VanDerWaalsContact C-N 3.27Å; V477-E479 WeakPolarHBondContact CB-OE2 3.35Å; V477-E479 HydrophobicContact CG2-CB 4.31Å; V477-E479 WeakPolarHBondContact CG2-OE2 3.43Å; V477-E479 PolarHBondContact O-N 3.27Å; V477-S480 VanDerWaalsContact CG2-OG 3.28Å; V477-S480 WeakPolarHBondContact CG2-OG 3.22Å; V477-S480 PolarHBondContact N-OG 3.28Å; V477-S480 CarbonylContact O-C 3.57Å; V477-S480 PolarHBondContact O-N 2.95Å; V477-S480 PolarHBondContact O-OG 2.74Å; V477-S480 VanDerWaalsContact O-OG 3.05Å; V477-N481 PolarHBondContact O-N 3.1Å; V477-F482 PolarHBondContact O-N 3.22Å
478	R	91.2	Very high	94.4	Very high	202 Å²	202	41.1 Å²	41.1	76%	0.762	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-63.8	-35.5	-177.7	-174.8	178.2	178	173.1	0.8	111.8	S480 N481 F482	R478-S480 PolarHBondContact O-N 2.73Å; R478-N481 PolarHBondContact O-N 3.39Å; R478-N481 VanDerWaalsContact O-N 3.09Å; R478-F482 HydrophobicContact CB-CZ 4.37Å
479	E	89.7	Confident	94.5	Very high	157 Å²	157	41.1 Å²	41.1	73%	0.734	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-65.9	-27.7	-179.8	-62.5	72.3	-158	0	0	112.4	V477	V477-E479 VanDerWaalsContact C-N 3.27Å; V477-E479 WeakPolarHBondContact CB-OE2 3.35Å; V477-E479 HydrophobicContact CG2-CB 4.31Å; V477-E479 WeakPolarHBondContact CG2-OE2 3.43Å; V477-E479 PolarHBondContact O-N 3.27Å
480	S	91.5	Very high	94.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.021	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-100.3	18.8	175.1	60.6	0	0	0	0	112.2	C475 V477 R478 F482 F483	C475-S480 WeakPolarHBondContact CA-OG 3.43Å; C475-S480 PolarHBondContact O-OG 3.4Å; V477-S480 VanDerWaalsContact CG2-OG 3.28Å; V477-S480 WeakPolarHBondContact CG2-OG 3.22Å; V477-S480 PolarHBondContact N-OG 3.28Å; V477-S480 CarbonylContact O-C 3.57Å; V477-S480 PolarHBondContact O-N 2.95Å; V477-S480 PolarHBondContact O-OG 2.74Å; V477-S480 VanDerWaalsContact O-OG 3.05Å; R478-S480 PolarHBondContact O-N 2.73Å; S480-F482 PolarHBondContact O-N 3.42Å; S480-F482 VanDerWaalsContact O-N 3.13Å; S480-F483 VanDerWaalsContact O-CB 3.23Å; S480-F483 WeakPolarHBondContact O-CB 3.43Å; S480-F483 PolarHBondContact O-N 2.9Å
481	N	90.4	Very high	94.6	Very high	101 Å²	101	38 Å²	38	54%	0.54	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	35.9	-179.4	-58.9	-49.5	0	0	0	113.9	V477 R478 F483 T486	V477-N481 PolarHBondContact O-N 3.1Å; R478-N481 PolarHBondContact O-N 3.39Å; R478-N481 VanDerWaalsContact O-N 3.09Å; N481-F483 PolarHBondContact O-N 2.83Å; N481-T486 PolarHBondContact O-OG1 2.87Å
482	F	95	Very high	94.6	Very high	90 Å²	90	37.8 Å²	37.8	40%	0.395	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	44	-175.1	-51.9	-82.2	0	0	0	112	V477 R478 S480 L484 S485 T486 P954	V477-F482 PolarHBondContact O-N 3.22Å; R478-F482 HydrophobicContact CB-CZ 4.37Å; S480-F482 PolarHBondContact O-N 3.42Å; S480-F482 VanDerWaalsContact O-N 3.13Å; F482-L484 VanDerWaalsContact C-N 3.26Å; F482-L484 PolarHBondContact O-N 3.43Å; F482-S485 PolarHBondContact O-N 3.13Å; F482-T486 WeakPolarHBondContact O-CB 3.06Å; F482-T486 PolarHBondContact O-N 3.26Å; F482-T486 PolarHBondContact O-OG1 3.44Å; F482-P954 HydrophobicContact CB-CG 4.38Å
483	F	96.2	Very high	94.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-51.1	-41.7	-173.4	178.2	-99.4	0	0	0	113.3	C475 S480 N481 T486 L487 I568 A927 T929 W932 V934	C475-F483 HydrophobicContact CB-CB 4.4Å; C475-F483 HydrophobicContact CB-CD1 4.21Å; C475-F483 WeakPolarHBondContact O-CB 3.35Å; C475-F483 PolarHBondContact O-N 2.89Å; S480-F483 VanDerWaalsContact O-CB 3.23Å; S480-F483 WeakPolarHBondContact O-CB 3.43Å; S480-F483 PolarHBondContact O-N 2.9Å; N481-F483 PolarHBondContact O-N 2.83Å; F483-T486 PolarHBondContact O-N 3.11Å; F483-L487 HydrophobicContact CE1-CD2 3.97Å; F483-L487 HydrophobicContact CZ-CD2 4.26Å; F483-L487 WeakPolarHBondContact O-CB 3.36Å; F483-L487 PolarHBondContact O-N 3.41Å; F483-I568 HydrophobicContact CE1-CD1 4Å; F483-A927 HydrophobicContact CE2-CB 4.18Å; F483-A927 HydrophobicContact CZ-CB 3.84Å; F483-T929 HydrophobicContact CE1-CG2 4.3Å; F483-T929 HydrophobicContact CZ-CG2 4.03Å; F483-W932 HydrophobicContact CB-CB 4.46Å; F483-W932 HydrophobicContact CB-CE3 3.73Å; F483-W932 HydrophobicContact CB-CZ3 4.42Å; F483-W932 AromaticContact CD1-CE3 3.87Å; F483-W932 HydrophobicContact CD1-CE3 3.87Å; F483-W932 HydrophobicContact CD1-CZ3 4.01Å; F483-W932 HydrophobicContact CD2-CB 4.24Å; F483-W932 AromaticContact CD2-CE3 3.99Å; F483-W932 HydrophobicContact CD2-CE3 3.99Å; F483-W932 HydrophobicContact CE1-CE3 4.43Å; F483-W932 HydrophobicContact CE1-CZ3 4.47Å; F483-W932 AromaticContact CG-CE3 3.61Å; F483-W932 HydrophobicContact CG-CE3 3.61Å; F483-W932 HydrophobicContact CG-CZ3 4.22Å; F483-V934 HydrophobicContact CD2-CG2 3.79Å; F483-V934 HydrophobicContact CE2-CG2 3.73Å
484	L	96.7	Very high	94.3	Very high	6 Å²	6	36 Å²	36	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-51.7	179.3	-178.2	61.7	0	0	0	111	L471 A472 C475 D476 F482 T486 L487 L488 V962	L471-L484 HydrophobicContact CB-CD2 4.25Å; A472-L484 HydrophobicContact CB-CD2 3.94Å; C475-L484 HydrophobicContact CB-CB 4.44Å; C475-L484 PolarHBondContact O-N 2.95Å; D476-L484 HydrophobicContact CB-CB 4.05Å; F482-L484 VanDerWaalsContact C-N 3.26Å; F482-L484 PolarHBondContact O-N 3.43Å; L484-T486 VanDerWaalsContact C-N 3.29Å; L484-T486 PolarHBondContact O-N 2.9Å; L484-L487 PolarHBondContact O-N 3.35Å; L484-L488 HydrophobicContact CD1-CD1 4.23Å; L484-L488 HydrophobicContact CD1-CG 4.18Å; L484-L488 HydrophobicContact CG-CD1 4.18Å; L484-L488 HydrophobicContact CG-CG 4.48Å; L484-L488 WeakPolarHBondContact O-CB 3.41Å; L484-L488 WeakPolarHBondContact O-CG 3.37Å; L484-L488 PolarHBondContact O-N 3.39Å; L484-V962 HydrophobicContact CD2-CG1 4.11Å
485	S	97	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-39.8	177.1	-66.3	0	0	0	0	112.3	D476 F482 T489	D476-S485 VanDerWaalsContact CG-OG 3.22Å; D476-S485 VanDerWaalsContact OD1-CB 3.22Å; D476-S485 WeakPolarHBondContact OD1-CB 3.35Å; D476-S485 PolarHBondContact OD1-N 2.8Å; D476-S485 PolarHBondContact OD1-OG 3.43Å; D476-S485 PolarHBondContact OD2-OG 3.43Å; F482-S485 PolarHBondContact O-N 3.13Å; S485-T489 WeakPolarHBondContact O-CB 3.43Å; S485-T489 PolarHBondContact O-N 3.17Å; S485-T489 PolarHBondContact O-OG1 3.01Å
486	T	96.5	Very high	94.2	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.043	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-43.5	176.8	-54.3	0	0	0	0	111.6	N481 F482 F483 L484 T489 A490 V934 F952 P954	N481-T486 PolarHBondContact O-OG1 2.87Å; F482-T486 WeakPolarHBondContact O-CB 3.06Å; F482-T486 PolarHBondContact O-N 3.26Å; F482-T486 PolarHBondContact O-OG1 3.44Å; F483-T486 PolarHBondContact O-N 3.11Å; L484-T486 VanDerWaalsContact C-N 3.29Å; L484-T486 PolarHBondContact O-N 2.9Å; T486-T489 PolarHBondContact O-N 2.75Å; T486-A490 PolarHBondContact O-N 2.8Å; T486-V934 HydrophobicContact CG2-CB 3.9Å; T486-V934 HydrophobicContact CG2-CG2 3.99Å; T486-F952 HydrophobicContact CG2-CB 3.65Å; T486-F952 WeakPolarHBondContact CG2-O 3.43Å; T486-P954 WeakPolarHBondContact OG1-CD 3.49Å
487	L	97.5	Very high	94	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-42.9	178.3	179.2	54.9	0	0	0	112	F483 L484 T489 A490 C491 I568 L572 I925 A927 V934	F483-L487 HydrophobicContact CE1-CD2 3.97Å; F483-L487 HydrophobicContact CZ-CD2 4.26Å; F483-L487 WeakPolarHBondContact O-CB 3.36Å; F483-L487 PolarHBondContact O-N 3.41Å; L484-L487 PolarHBondContact O-N 3.35Å; L487-T489 VanDerWaalsContact C-N 3.34Å; L487-A490 PolarHBondContact O-N 2.89Å; L487-C491 WeakPolarHBondContact O-CB 3.29Å; L487-C491 PolarHBondContact O-N 2.79Å; L487-I568 HydrophobicContact CD2-CG2 3.54Å; L487-L572 HydrophobicContact CD2-CD1 4.2Å; L487-L572 HydrophobicContact CG-CD1 4.49Å; L487-L572 HydrophobicContact CG-CD2 4.22Å; L487-I925 HydrophobicContact CD1-CG2 4.25Å; L487-A927 HydrophobicContact CD1-CB 3.57Å; L487-A927 HydrophobicContact CD2-CB 4.16Å; L487-A927 HydrophobicContact CG-CB 4.45Å; L487-V934 HydrophobicContact CB-CG2 4.06Å; L487-V934 HydrophobicContact CD1-CG1 4.15Å; L487-V934 HydrophobicContact CD1-CG2 4.5Å
488	L	97.7	Very high	94	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-39.9	175.4	-69.1	-178.2	0	0	0	111.4	F468 L484 C491 L492 L572 F575 I958 M961 V962	F468-L488 HydrophobicContact CE2-CD1 4.15Å; F468-L488 HydrophobicContact CZ-CD1 4.48Å; L484-L488 HydrophobicContact CD1-CD1 4.23Å; L484-L488 HydrophobicContact CD1-CG 4.18Å; L484-L488 HydrophobicContact CG-CD1 4.18Å; L484-L488 HydrophobicContact CG-CG 4.48Å; L484-L488 WeakPolarHBondContact O-CB 3.41Å; L484-L488 WeakPolarHBondContact O-CG 3.37Å; L484-L488 PolarHBondContact O-N 3.39Å; L488-C491 PolarHBondContact O-N 2.8Å; L488-L492 WeakPolarHBondContact O-CB 3.23Å; L488-L492 VanDerWaalsContact O-CG 3.29Å; L488-L492 WeakPolarHBondContact O-CG 3.45Å; L488-L492 PolarHBondContact O-N 2.72Å; L488-L572 HydrophobicContact CD2-CD2 4.21Å; L488-F575 HydrophobicContact CD1-CE2 4.13Å; L488-F575 HydrophobicContact CD1-CZ 4.15Å; L488-F575 HydrophobicContact CD2-CD2 3.4Å; L488-F575 VanDerWaalsContact CD2-CD2 3.4Å; L488-F575 HydrophobicContact CD2-CE2 3.35Å; L488-F575 HydrophobicContact CD2-CG 4.11Å; L488-F575 HydrophobicContact CD2-CZ 4.01Å; L488-F575 HydrophobicContact CG-CE2 4.39Å; L488-I958 HydrophobicContact CB-CG2 3.69Å; L488-M961 HydrophobicContact CD1-CE 4.28Å; L488-V962 HydrophobicContact CD1-CG2 3.81Å
489	T	96.5	Very high	93.9	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-58.2	-52.6	173.4	-58.6	0	0	0	0	110.4	S485 T486 L487 C491 L492 M493 S955	S485-T489 WeakPolarHBondContact O-CB 3.43Å; S485-T489 PolarHBondContact O-N 3.17Å; S485-T489 PolarHBondContact O-OG1 3.01Å; T486-T489 PolarHBondContact O-N 2.75Å; L487-T489 VanDerWaalsContact C-N 3.34Å; T489-C491 VanDerWaalsContact C-N 3.33Å; T489-C491 PolarHBondContact O-N 2.97Å; T489-L492 PolarHBondContact O-N 3.04Å; T489-M493 HydrophobicContact CG2-CG 4.37Å; T489-M493 HydrophobicContact CG2-SD 3.82Å; T489-M493 WeakPolarHBondContact O-CB 3.41Å; T489-M493 WeakPolarHBondContact O-CG 3.38Å; T489-M493 PolarHBondContact O-N 3.08Å; T489-S955 PolarHBondContact OG1-N 2.82Å
490	A	95.4	Very high	93.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.2	-44	177.7	0	0	0	0	0	112.2	T486 L487 M493 N494 I925 V934 F952	T486-A490 PolarHBondContact O-N 2.8Å; L487-A490 PolarHBondContact O-N 2.89Å; A490-M493 PolarHBondContact O-N 3.27Å; A490-N494 PolarHBondContact O-N 3.03Å; A490-N494 PolarHBondContact O-ND2 2.73Å; A490-I925 HydrophobicContact CB-CD1 4.31Å; A490-I925 HydrophobicContact CB-CG1 4.34Å; A490-I925 HydrophobicContact CB-CG2 3.82Å; A490-I925 VanDerWaalsContact O-CD1 3.23Å; A490-I925 WeakPolarHBondContact O-CD1 3.45Å; A490-V934 HydrophobicContact CB-CG1 3.74Å; A490-F952 HydrophobicContact CB-CB 4.42Å; A490-F952 HydrophobicContact CB-CD1 3.87Å; A490-F952 HydrophobicContact CB-CD2 3.55Å; A490-F952 HydrophobicContact CB-CE1 3.92Å; A490-F952 HydrophobicContact CB-CE2 3.56Å; A490-F952 HydrophobicContact CB-CG 3.68Å; A490-F952 HydrophobicContact CB-CZ 3.77Å
491	C	96.2	Very high	93.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.4	-51.4	178.5	-172.5	0	0	0	0	111.6	L487 L488 T489 M493 N494 H495 L572	L487-C491 WeakPolarHBondContact O-CB 3.29Å; L487-C491 PolarHBondContact O-N 2.79Å; L488-C491 PolarHBondContact O-N 2.8Å; T489-C491 VanDerWaalsContact C-N 3.33Å; T489-C491 PolarHBondContact O-N 2.97Å; C491-M493 VanDerWaalsContact C-N 3.29Å; C491-M493 PolarHBondContact O-N 3.42Å; C491-N494 PolarHBondContact O-N 3.07Å; C491-H495 WeakPolarHBondContact O-CB 3.36Å; C491-H495 PolarHBondContact O-N 3.37Å; C491-L572 HydrophobicContact CB-CD2 4.07Å
492	L	96.1	Very high	93	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.5	-27.3	-177.7	-68.7	170.7	0	0	0	112.9	L488 T489 W498 F575 I958 L986 L1026	L488-L492 WeakPolarHBondContact O-CB 3.23Å; L488-L492 VanDerWaalsContact O-CG 3.29Å; L488-L492 WeakPolarHBondContact O-CG 3.45Å; L488-L492 PolarHBondContact O-N 2.72Å; T489-L492 PolarHBondContact O-N 3.04Å; L492-W498 HydrophobicContact CB-CZ2 4.46Å; L492-W498 VanDerWaalsContact CD2-CD1 3.48Å; L492-W498 HydrophobicContact CD2-CD2 3.97Å; L492-W498 HydrophobicContact CD2-CG 3.84Å; L492-W498 HydrophobicContact CD2-CZ2 4.45Å; L492-W498 PolarHBondContact O-NE1 2.94Å; L492-F575 HydrophobicContact CD2-CB 4.34Å; L492-F575 HydrophobicContact CD2-CD1 3.95Å; L492-F575 HydrophobicContact CG-CD1 4.49Å; L492-I958 HydrophobicContact CD1-CD1 3.44Å; L492-I958 VanDerWaalsContact CD1-CD1 3.44Å; L492-I958 HydrophobicContact CD1-CG1 4.23Å; L492-L986 HydrophobicContact CD1-CD2 3.78Å; L492-L986 HydrophobicContact CD2-CD2 3.9Å; L492-L1026 HydrophobicContact CB-CD1 4.06Å
493	M	92.2	Very high	92.2	Very high	24 Å²	24	7.7 Å²	7.7	12%	0.118	5%	0.048	C	C	.	.	H	α-helix	trans	-68.7	-33.3	173.8	-80	-179.3	69.5	0	0	113.8	T489 A490 C491 L496 F952 P1025 L1026 S1029	T489-M493 HydrophobicContact CG2-CG 4.37Å; T489-M493 HydrophobicContact CG2-SD 3.82Å; T489-M493 WeakPolarHBondContact O-CB 3.41Å; T489-M493 WeakPolarHBondContact O-CG 3.38Å; T489-M493 PolarHBondContact O-N 3.08Å; A490-M493 PolarHBondContact O-N 3.27Å; C491-M493 VanDerWaalsContact C-N 3.29Å; C491-M493 PolarHBondContact O-N 3.42Å; M493-L496 WeakPolarHBondContact O-CD2 3.42Å; M493-F952 HydrophobicContact CE-CE1 4.13Å; M493-F952 HydrophobicContact SD-CD1 4.05Å; M493-F952 HydrophobicContact SD-CE1 3.88Å; M493-P1025 HydrophobicContact CE-CB 3.54Å; M493-P1025 HydrophobicContact SD-CB 4.39Å; M493-L1026 HydrophobicContact CB-CD1 4.43Å; M493-L1026 HydrophobicContact CG-CB 3.89Å; M493-L1026 HydrophobicContact CG-CD1 3.6Å; M493-L1026 HydrophobicContact CG-CG 4.35Å; M493-L1026 HydrophobicContact SD-CB 4.38Å; M493-S1029 WeakPolarHBondContact O-CB 3.46Å
494	N	91.8	Very high	91	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.043	7%	0.069	C	C	.	.	H	α-helix	trans	-110.3	-35.2	-171.5	-61.9	-85.8	0	0	0	113.1	A490 C491 L496 R551 A553 V923 I925	A490-N494 PolarHBondContact O-N 3.03Å; A490-N494 PolarHBondContact O-ND2 2.73Å; C491-N494 PolarHBondContact O-N 3.07Å; N494-L496 VanDerWaalsContact C-N 3.35Å; N494-L496 PolarHBondContact O-N 3.31Å; N494-L496 VanDerWaalsContact O-N 3.17Å; N494-R551 PolarHBondContact OD1-NH1 2.94Å; N494-A553 HydrophobicContact CB-CB 3.91Å; N494-V923 HydrophobicContact CB-CG2 4.48Å; N494-I925 HydrophobicContact CB-CD1 4.04Å
495	H	93.2	Very high	89.1	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.095	C	C	.	.			trans	-87.9	70.4	175.3	-71.9	-69.9	0	0	0	110.9	C491 T497 T555	C491-H495 WeakPolarHBondContact O-CB 3.36Å; C491-H495 PolarHBondContact O-N 3.37Å; H495-T497 PolarHBondContact O-N 3.41Å; H495-T555 PolarHBondContact CD2-OG1 3.02Å; H495-T555 PolarHBondContact NE2-OG1 3.19Å
496	L	90.2	Very high	86.5	Confident	10 Å²	10	21.8 Å²	21.8	5%	0.052	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	6	-165.6	-69	169.9	0	0	0	116.1	M493 N494 W498 V499 V546 T547 S1029 V1030 V1033	M493-L496 WeakPolarHBondContact O-CD2 3.42Å; N494-L496 VanDerWaalsContact C-N 3.35Å; N494-L496 PolarHBondContact O-N 3.31Å; N494-L496 VanDerWaalsContact O-N 3.17Å; L496-W498 VanDerWaalsContact C-N 3.3Å; L496-W498 PolarHBondContact O-N 2.9Å; L496-V499 WeakPolarHBondContact O-CB 3.33Å; L496-V499 VanDerWaalsContact O-CG2 3.29Å; L496-V499 WeakPolarHBondContact O-CG2 3.47Å; L496-V499 PolarHBondContact O-N 3.34Å; L496-V546 HydrophobicContact CB-CB 4.42Å; L496-V546 HydrophobicContact CB-CG2 4.34Å; L496-T547 HydrophobicContact CD1-CG2 3.38Å; L496-S1029 WeakPolarHBondContact CD1-O 3.38Å; L496-V1030 HydrophobicContact CD2-CG2 4.28Å; L496-V1033 HydrophobicContact CB-CG2 3.82Å; L496-V1033 HydrophobicContact CD1-CG2 4Å; L496-V1033 HydrophobicContact CD2-CG2 4.37Å; L496-V1033 HydrophobicContact CG-CG2 4.29Å
497	T	89.9	Confident	84.1	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.018	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.8	-179.9	41.3	0	0	0	0	114.7	H495 V499 S500 D541 V546 R577	H495-T497 PolarHBondContact O-N 3.41Å; T497-V499 PolarHBondContact O-N 3.22Å; T497-V499 VanDerWaalsContact O-N 3.16Å; T497-S500 WeakPolarHBondContact O-CB 2.98Å; T497-S500 PolarHBondContact O-N 3.3Å; T497-S500 PolarHBondContact O-OG 3.34Å; T497-D541 HydrophobicContact CG2-CB 3.71Å; T497-D541 WeakPolarHBondContact CG2-O 3.34Å; T497-V546 HydrophobicContact CG2-CG2 3.55Å; T497-R577 WeakPolarHBondContact CB-O 3.24Å; T497-R577 PolarHBondContact OG1-O 3.39Å
498	W	92.9	Very high	81.6	Confident	1 Å²	1	25.1 Å²	25.1	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-58.9	-29.1	178.3	68.6	-96.4	0	0	0	112	L492 L496 S500 S501 V502 R577 L986 V989 V1030	L492-W498 HydrophobicContact CB-CZ2 4.46Å; L492-W498 VanDerWaalsContact CD2-CD1 3.48Å; L492-W498 HydrophobicContact CD2-CD2 3.97Å; L492-W498 HydrophobicContact CD2-CG 3.84Å; L492-W498 HydrophobicContact CD2-CZ2 4.45Å; L492-W498 PolarHBondContact O-NE1 2.94Å; L496-W498 VanDerWaalsContact C-N 3.3Å; L496-W498 PolarHBondContact O-N 2.9Å; W498-S500 PolarHBondContact O-N 2.96Å; W498-S501 WeakPolarHBondContact O-CB 3.47Å; W498-S501 PolarHBondContact O-N 3.38Å; W498-S501 PolarHBondContact O-OG 3.47Å; W498-V502 HydrophobicContact CE3-CG1 4.31Å; W498-V502 HydrophobicContact CE3-CG2 3.76Å; W498-V502 HydrophobicContact CZ3-CG2 3.68Å; W498-V502 PolarHBondContact O-N 3.23Å; W498-R577 HydrophobicContact CB-CB 4.49Å; W498-R577 HydrophobicContact CB-CG 4.14Å; W498-L986 HydrophobicContact CE3-CB 4.06Å; W498-L986 HydrophobicContact CE3-CD2 4.11Å; W498-L986 HydrophobicContact CE3-CG 4.46Å; W498-L986 HydrophobicContact CH2-CD2 4.46Å; W498-L986 HydrophobicContact CZ3-CB 3.85Å; W498-L986 HydrophobicContact CZ3-CD2 4.08Å; W498-L986 HydrophobicContact CZ3-CG 4.5Å; W498-L986 WeakPolarHBondContact CZ3-O 3.44Å; W498-V989 HydrophobicContact CH2-CB 4.05Å; W498-V989 HydrophobicContact CH2-CG1 3.76Å; W498-V989 HydrophobicContact CZ2-CG1 4.29Å; W498-V1030 HydrophobicContact CH2-CG2 4.05Å; W498-V1030 HydrophobicContact CZ2-CG2 3.55Å
499	V	89.9	Confident	78.8	Confident	1 Å²	1	28 Å²	28	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-54.6	-41.8	175.9	-178	0	0	0	0	111.1	L496 T497 S501 V502 A503 Y990 V1030 V1033	L496-V499 WeakPolarHBondContact O-CB 3.33Å; L496-V499 VanDerWaalsContact O-CG2 3.29Å; L496-V499 WeakPolarHBondContact O-CG2 3.47Å; L496-V499 PolarHBondContact O-N 3.34Å; T497-V499 PolarHBondContact O-N 3.22Å; T497-V499 VanDerWaalsContact O-N 3.16Å; V499-S501 PolarHBondContact O-N 3.24Å; V499-V502 PolarHBondContact O-N 3.07Å; V499-A503 VanDerWaalsContact O-CB 3.24Å; V499-A503 WeakPolarHBondContact O-CB 3.48Å; V499-A503 PolarHBondContact O-N 3.15Å; V499-Y990 HydrophobicContact CG1-CD2 3.65Å; V499-Y990 HydrophobicContact CG1-CE2 3.88Å; V499-V1030 HydrophobicContact CG1-CG1 4.09Å; V499-V1030 HydrophobicContact CG2-CB 4.47Å; V499-V1030 HydrophobicContact CG2-CG1 3.77Å; V499-V1030 HydrophobicContact CG2-CG2 4.25Å; V499-V1033 HydrophobicContact CB-CG1 4.37Å; V499-V1033 HydrophobicContact CG1-CB 4.31Å; V499-V1033 HydrophobicContact CG1-CG1 4.06Å; V499-V1033 HydrophobicContact CG2-CG2 4.35Å
500	S	81.6	Confident	75.8	Confident	17 Å²	17	36 Å²	36	12%	0.119	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-19.3	179.5	73.8	0	0	0	0	114	T497 W498 S701	T497-S500 WeakPolarHBondContact O-CB 2.98Å; T497-S500 PolarHBondContact O-N 3.3Å; T497-S500 PolarHBondContact O-OG 3.34Å; W498-S500 PolarHBondContact O-N 2.96Å; S500-S701 WeakPolarHBondContact OG-CB 3.01Å
501	S	84.4	Confident	73	Confident	46 Å²	46	39.8 Å²	39.8	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-89.7	-24.6	178.9	66.9	0	0	0	0	113.4	W498 V499 R577	W498-S501 WeakPolarHBondContact O-CB 3.47Å; W498-S501 PolarHBondContact O-N 3.38Å; W498-S501 PolarHBondContact O-OG 3.47Å; V499-S501 PolarHBondContact O-N 3.24Å; S501-R577 VanDerWaalsContact OG-CD 3.26Å; S501-R577 WeakPolarHBondContact OG-CD 3.13Å; S501-R577 PolarHBondContact OG-NH1 2.72Å
502	V	85.4	Confident	70.3	Confident	24 Å²	24	43.2 Å²	43.2	15%	0.145	25%	0.25	C	C	.	.	H	α-helix	trans	-101.2	-20	179.6	-58.9	0	0	0	0	113.2	W498 V499 L986 Y990	W498-V502 HydrophobicContact CE3-CG1 4.31Å; W498-V502 HydrophobicContact CE3-CG2 3.76Å; W498-V502 HydrophobicContact CZ3-CG2 3.68Å; W498-V502 PolarHBondContact O-N 3.23Å; V499-V502 PolarHBondContact O-N 3.07Å; V502-L986 HydrophobicContact CG1-CB 3.94Å; V502-Y990 HydrophobicContact CG2-CG 4.48Å
503	A	78.6	Confident	67.3	Low	10 Å²	10	46.8 Å²	46.8	8%	0.083	27%	0.273	C	S	.	.	S	Bend	trans	-65.7	134.9	-179.5	0	0	0	0	0	111.6	V499 S505 F508 Y990	V499-A503 VanDerWaalsContact O-CB 3.24Å; V499-A503 WeakPolarHBondContact O-CB 3.48Å; V499-A503 PolarHBondContact O-N 3.15Å; A503-S505 PolarHBondContact O-N 3.32Å; A503-F508 HydrophobicContact CB-CE2 3.83Å; A503-F508 HydrophobicContact CB-CZ 4.32Å; A503-Y990 HydrophobicContact CB-CD1 4.44Å; A503-Y990 HydrophobicContact CB-CE1 3.9Å; A503-Y990 HydrophobicContact CB-CE2 3.99Å
504	P	71.6	Confident	64.8	Low	70 Å²	70	52.9 Å²	52.9	46%	0.455	30%	0.299	S	S	.	.			trans	-61.4	134.5	176.8	-18.3	29.4	0	0	0	111.1	M506 V507 Y990	P504-M506 PolarHBondContact O-N 3.36Å; P504-V507 HydrophobicContact CB-CG2 4.34Å; P504-V507 HydrophobicContact CG-CG2 4.42Å; P504-V507 PolarHBondContact O-N 2.94Å; P504-Y990 VanDerWaalsContact CD-CE1 3.46Å
505	S	56.2	Low	62.3	Low	82 Å²	82	54.6 Å²	54.6	57%	0.573	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.4	-177.3	-50.1	0	0	0	0	114.5	A503	A503-S505 PolarHBondContact O-N 3.32Å
506	M	42.2	Very low	59.8	Low	153 Å²	153	57.7 Å²	57.7	75%	0.754	33%	0.327	S	S	*	.	H	α-helix	trans	-82.2	-22.8	-177	-54.1	-156.2	83.2	0	0	114	P504 F508 A509	P504-M506 PolarHBondContact O-N 3.36Å; M506-F508 PolarHBondContact O-N 3.44Å; M506-A509 PolarHBondContact O-N 3.22Å
507	V	45.8	Very low	57.6	Low	68 Å²	68	65.9 Å²	65.9	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-23.5	-177.9	-178	0	0	0	0	111.9	P504	P504-V507 HydrophobicContact CB-CG2 4.34Å; P504-V507 HydrophobicContact CG-CG2 4.42Å; P504-V507 PolarHBondContact O-N 2.94Å
508	F	45.7	Very low	55.1	Low	9 Å²	9	67.5 Å²	67.5	4%	0.039	37%	0.37	C	S	.	.	H	α-helix	trans	-95.7	-25.4	-177.8	-62.6	-62.5	0	0	0	113	A503 M506 E510 T702 L703 E706	A503-F508 HydrophobicContact CB-CE2 3.83Å; A503-F508 HydrophobicContact CB-CZ 4.32Å; M506-F508 PolarHBondContact O-N 3.44Å; F508-E510 PolarHBondContact O-N 2.93Å; F508-T702 WeakPolarHBondContact CB-OG1 3.37Å; F508-T702 VanDerWaalsContact CD2-OG1 3.27Å; F508-T702 WeakPolarHBondContact CD2-OG1 3.21Å; F508-T702 WeakPolarHBondContact CG-OG1 3.23Å; F508-L703 HydrophobicContact CD1-CG 4.35Å; F508-L703 HydrophobicContact CE1-CD1 3.82Å; F508-L703 HydrophobicContact CE1-CD2 4.34Å; F508-L703 HydrophobicContact CE1-CG 3.68Å; F508-L703 HydrophobicContact CE2-CD1 3.77Å; F508-L703 HydrophobicContact CE2-CG 4.22Å; F508-L703 HydrophobicContact CZ-CD1 3.23Å; F508-L703 HydrophobicContact CZ-CG 3.63Å; F508-E706 WeakPolarHBondContact CB-OE1 3.35Å; F508-E706 WeakPolarHBondContact CB-OE2 3.37Å; F508-E706 WeakPolarHBondContact CD1-OE2 3.27Å
509	A	38.2	Very low	52.5	Low	62 Å²	62	70.3 Å²	70.3	51%	0.512	39%	0.389	S	S	.	.	H	α-helix	trans	-69.9	-30.1	178.8	0	0	0	0	0	113.3	M506 V512	M506-A509 PolarHBondContact O-N 3.22Å; A509-V512 WeakPolarHBondContact O-CG2 3.47Å
510	E	35.4	Very low	50.4	Low	167 Å²	167	76.5 Å²	76.5	78%	0.78	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.5	-177.3	-87.9	-173.6	159.3	0	0	114.9	F508 P513	F508-E510 PolarHBondContact O-N 2.93Å; E510-P513 WeakPolarHBondContact O-CD 3.32Å; E510-P513 WeakPolarHBondContact O-CG 3.41Å
511	E	36.4	Very low	48.3	Very low	81 Å²	81	83.5 Å²	83.5	38%	0.379	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.6	178.2	-80.4	-133.2	122.7	0	0	114.7	P513 K514 R710	E511-P513 VanDerWaalsContact C-N 3.26Å; E511-P513 WeakPolarHBondContact O-CD 3.47Å; E511-K514 PolarHBondContact O-N 2.93Å; E511-K514 IonicContact OE1-NZ 2.62Å; E511-K514 PolarHBondContact OE1-NZ 3.29Å; E511-R710 IonicContact OE2-CZ 3.96Å; E511-R710 IonicContact OE2-NE 2.93Å; E511-R710 IonicContact OE2-NH2 3.12Å; E511-R710 PolarHBondContact OE2-NH2 3.24Å
512	V	37.9	Very low	45.8	Very low	71 Å²	71	86.3 Å²	86.3	43%	0.43	45%	0.445	S	S	.	.	H	α-helix	trans	-52.9	-28.1	170.1	-177.4	0	0	0	0	114.8	A509 K514 L515 T516	A509-V512 WeakPolarHBondContact O-CG2 3.47Å; V512-K514 PolarHBondContact O-N 2.82Å; V512-K514 VanDerWaalsContact O-N 3.15Å; V512-L515 PolarHBondContact O-N 2.6Å; V512-L515 VanDerWaalsContact O-N 3.07Å; V512-T516 HydrophobicContact CG1-CG2 4.02Å; V512-T516 PolarHBondContact O-N 3.49Å; V512-T516 VanDerWaalsContact O-N 3.14Å; V512-T516 PolarHBondContact O-OG1 3.36Å
513	P	33.5	Very low	43.5	Very low	76 Å²	76	89.7 Å²	89.7	49%	0.494	46%	0.455	S	S	.	.	H	α-helix	trans	-61.5	-21.1	177.8	-23	34.3	0	0	0	115	E510 E511 T516	E510-P513 WeakPolarHBondContact O-CD 3.32Å; E510-P513 WeakPolarHBondContact O-CG 3.41Å; E511-P513 VanDerWaalsContact C-N 3.26Å; E511-P513 WeakPolarHBondContact O-CD 3.47Å; P513-T516 WeakPolarHBondContact CA-OG1 3.39Å; P513-T516 PolarHBondContact O-OG1 3.29Å; P513-T516 VanDerWaalsContact O-OG1 3.11Å
514	K	40.4	Very low	41.5	Very low	151 Å²	151	93.8 Å²	93.8	66%	0.657	48%	0.476	S	S	*	.	H	α-helix	trans	-78.6	-31.4	175.1	-70.3	175.5	-171.9	157.4	0	111.8	E511 V512	E511-K514 PolarHBondContact O-N 2.93Å; E511-K514 IonicContact OE1-NZ 2.62Å; E511-K514 PolarHBondContact OE1-NZ 3.29Å; V512-K514 PolarHBondContact O-N 2.82Å; V512-K514 VanDerWaalsContact O-N 3.15Å
515	L	39.3	Very low	40	Very low	44 Å²	44	94 Å²	94	23%	0.23	48%	0.476	C	S	.	.	H	α-helix	trans	-83.6	-26.6	-179.8	-149.9	79.8	0	0	0	112.8	V512 K517 L518 L709	V512-L515 PolarHBondContact O-N 2.6Å; V512-L515 VanDerWaalsContact O-N 3.07Å; L515-K517 PolarHBondContact O-N 3.36Å; L515-L518 HydrophobicContact CD1-CD1 4.18Å; L515-L518 PolarHBondContact O-N 3.18Å; L515-L709 HydrophobicContact CD2-CB 4.17Å; L515-L709 HydrophobicContact CD2-CD1 4.24Å; L515-L709 HydrophobicContact CD2-CD2 4.42Å
516	T	41.3	Very low	38.9	Very low	65 Å²	65	92 Å²	92	40%	0.399	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.7	175.2	51.1	0	0	0	0	113.8	V512 P513 L518	V512-T516 HydrophobicContact CG1-CG2 4.02Å; V512-T516 PolarHBondContact O-N 3.49Å; V512-T516 VanDerWaalsContact O-N 3.14Å; V512-T516 PolarHBondContact O-OG1 3.36Å; P513-T516 WeakPolarHBondContact CA-OG1 3.39Å; P513-T516 PolarHBondContact O-OG1 3.29Å; P513-T516 VanDerWaalsContact O-OG1 3.11Å; T516-L518 PolarHBondContact O-N 3.25Å
517	K	42.7	Very low	38.8	Very low	182 Å²	182	87.1 Å²	87.1	79%	0.791	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-9.9	172.6	-68.1	-174.9	-178.4	-178.7	0	113.8	L515	L515-K517 PolarHBondContact O-N 3.36Å
518	L	38.3	Very low	38.6	Very low	37 Å²	37	87.3 Å²	87.3	19%	0.194	45%	0.45	C	S	.	.	S	Bend	trans	-84	134.2	173	-68.5	163.6	0	0	0	110.1	L515 T516 Q520 R523	L515-L518 HydrophobicContact CD1-CD1 4.18Å; L515-L518 PolarHBondContact O-N 3.18Å; T516-L518 PolarHBondContact O-N 3.25Å; L518-Q520 PolarHBondContact O-N 2.9Å; L518-R523 HydrophobicContact CB-CG 4.32Å
519	P	37.3	Very low	38.4	Very low	60 Å²	60	89.4 Å²	89.4	39%	0.39	47%	0.469	S	S	.	.			trans	-50.8	140.2	177.2	-25.6	32.6	0	0	0	111.8	W521 R522 R523	P519-W521 VanDerWaalsContact CB-CD1 3.47Å; P519-W521 HydrophobicContact CB-CG 4.36Å; P519-W521 VanDerWaalsContact CB-NE1 3.31Å; P519-W521 PolarHBondContact O-N 2.81Å; P519-W521 VanDerWaalsContact O-N 3.08Å; P519-R522 WeakPolarHBondContact O-CA 3.43Å; P519-R522 WeakPolarHBondContact O-CB 3.38Å; P519-R522 PolarHBondContact O-N 2.96Å; P519-R523 PolarHBondContact O-N 2.8Å
520	Q	45.7	Very low	39	Very low	131 Å²	131	89.8 Å²	89.8	61%	0.612	46%	0.46	S	S	*	.	H	α-helix	trans	-53.4	-35.1	-174.7	-170.2	174.2	5.5	0	0	113.5	L518 R522 N524	L518-Q520 PolarHBondContact O-N 2.9Å; Q520-R522 VanDerWaalsContact C-N 3.32Å; Q520-R522 PolarHBondContact O-N 3.31Å; Q520-N524 PolarHBondContact O-N 3.24Å; Q520-N524 VanDerWaalsContact O-N 3.09Å; Q520-N524 PolarHBondContact O-ND2 3.33Å; Q520-N524 PolarHBondContact O-OD1 2.94Å
521	W	38.7	Very low	40.2	Very low	165 Å²	165	86.2 Å²	86.2	63%	0.625	45%	0.452	S	S	*	.	H	α-helix	trans	-64.3	-35.5	175.8	69.1	-94.4	0	0	0	112.7	P519 N524 T525	P519-W521 VanDerWaalsContact CB-CD1 3.47Å; P519-W521 HydrophobicContact CB-CG 4.36Å; P519-W521 VanDerWaalsContact CB-NE1 3.31Å; P519-W521 PolarHBondContact O-N 2.81Å; P519-W521 VanDerWaalsContact O-N 3.08Å; W521-N524 PolarHBondContact O-N 2.9Å; W521-T525 PolarHBondContact O-N 3.47Å; W521-T525 PolarHBondContact O-OG1 3.47Å
522	R	32.3	Very low	41.6	Very low	105 Å²	105	85 Å²	85	40%	0.396	44%	0.444	S	S	.	.	H	α-helix	trans	-72.1	-41.8	-179.1	-154.7	-168.6	-79.2	-176.8	-5.2	111.2	P519 Q520 N524 T525 E526	P519-R522 WeakPolarHBondContact O-CA 3.43Å; P519-R522 WeakPolarHBondContact O-CB 3.38Å; P519-R522 PolarHBondContact O-N 2.96Å; Q520-R522 VanDerWaalsContact C-N 3.32Å; Q520-R522 PolarHBondContact O-N 3.31Å; R522-N524 VanDerWaalsContact C-N 3.3Å; R522-N524 PolarHBondContact O-N 2.87Å; R522-T525 WeakPolarHBondContact CA-OG1 3.33Å; R522-T525 PolarHBondContact O-N 3.25Å; R522-T525 PolarHBondContact O-OG1 3.49Å; R522-E526 WeakPolarHBondContact CD-OE1 3.5Å; R522-E526 WeakPolarHBondContact CG-OE1 3.37Å; R522-E526 WeakPolarHBondContact O-CB 3.39Å; R522-E526 WeakPolarHBondContact O-CG 3.37Å; R522-E526 PolarHBondContact O-N 2.87Å
523	R	36	Very low	43.4	Very low	95 Å²	95	84.9 Å²	84.9	36%	0.358	44%	0.441	S	S	.	.	H	α-helix	trans	-57.8	-42.4	170.1	-76	-167.3	-75.1	143.4	-4	112	L518 P519 A527	L518-R523 HydrophobicContact CB-CG 4.32Å; P519-R523 PolarHBondContact O-N 2.8Å; R523-A527 WeakPolarHBondContact O-CB 3.43Å; R523-A527 PolarHBondContact O-N 3.09Å; R523-A527 VanDerWaalsContact O-N 3.11Å
524	N	36.6	Very low	45.6	Very low	95 Å²	95	81.9 Å²	81.9	51%	0.508	42%	0.42	S	S	.	.	H	α-helix	trans	-70.5	-37.9	179.4	-67.4	-6.7	0	0	0	112.5	Q520 W521 R522 A528	Q520-N524 PolarHBondContact O-N 3.24Å; Q520-N524 VanDerWaalsContact O-N 3.09Å; Q520-N524 PolarHBondContact O-ND2 3.33Å; Q520-N524 PolarHBondContact O-OD1 2.94Å; W521-N524 PolarHBondContact O-N 2.9Å; R522-N524 VanDerWaalsContact C-N 3.3Å; R522-N524 PolarHBondContact O-N 2.87Å; N524-A528 WeakPolarHBondContact O-CB 3.42Å; N524-A528 PolarHBondContact O-N 3.48Å
525	T	39.2	Very low	47.6	Very low	76 Å²	76	77.5 Å²	77.5	47%	0.466	40%	0.402	S	S	.	.	H	α-helix	trans	-72.4	-33.9	177	43	0	0	0	0	113.5	W521 R522 A528 A529	W521-T525 PolarHBondContact O-N 3.47Å; W521-T525 PolarHBondContact O-OG1 3.47Å; R522-T525 WeakPolarHBondContact CA-OG1 3.33Å; R522-T525 PolarHBondContact O-N 3.25Å; R522-T525 PolarHBondContact O-OG1 3.49Å; T525-A528 PolarHBondContact O-N 3.14Å; T525-A529 WeakPolarHBondContact O-CB 3.44Å; T525-A529 PolarHBondContact O-N 3.04Å
526	E	34.8	Very low	49.5	Very low	39 Å²	39	77.1 Å²	77.1	18%	0.182	40%	0.4	C	S	.	.	H	α-helix	trans	-74.8	-41.5	178.6	-72.8	168.4	-170.9	0	0	111.7	R522 A528 A529 H530 N712	R522-E526 WeakPolarHBondContact CD-OE1 3.5Å; R522-E526 WeakPolarHBondContact CG-OE1 3.37Å; R522-E526 WeakPolarHBondContact O-CB 3.39Å; R522-E526 WeakPolarHBondContact O-CG 3.37Å; R522-E526 PolarHBondContact O-N 2.87Å; E526-A528 VanDerWaalsContact C-N 3.3Å; E526-A528 PolarHBondContact O-N 3.25Å; E526-A529 PolarHBondContact O-N 3.41Å; E526-H530 PolarHBondContact O-N 3.33Å; E526-N712 HydrophobicContact CB-CB 4.37Å; E526-N712 PolarHBondContact O-ND2 3.1Å
527	A	40.1	Very low	51.4	Low	50 Å²	50	74.2 Å²	74.2	41%	0.413	38%	0.382	S	S	.	.	H	α-helix	trans	-66.2	-32.6	170.9	0	0	0	0	0	112.2	R523 H530	R523-A527 WeakPolarHBondContact O-CB 3.43Å; R523-A527 PolarHBondContact O-N 3.09Å; R523-A527 VanDerWaalsContact O-N 3.11Å; A527-H530 CarbonylContact O-C 3.54Å
528	A	40.9	Very low	53.5	Low	72 Å²	72	65.5 Å²	65.5	60%	0.595	35%	0.345	S	S	*	.	H	α-helix	trans	-73	-28.7	173.2	0	0	0	0	0	113.2	N524 T525 E526 H530	N524-A528 WeakPolarHBondContact O-CB 3.42Å; N524-A528 PolarHBondContact O-N 3.48Å; T525-A528 PolarHBondContact O-N 3.14Å; E526-A528 VanDerWaalsContact C-N 3.3Å; E526-A528 PolarHBondContact O-N 3.25Å; A528-H530 VanDerWaalsContact C-N 3.34Å
529	A	41.1	Very low	55.8	Low	54 Å²	54	63.8 Å²	63.8	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-71.7	-28.1	179.1	0	0	0	0	0	112.9	T525 E526	T525-A529 WeakPolarHBondContact O-CB 3.44Å; T525-A529 PolarHBondContact O-N 3.04Å; E526-A529 PolarHBondContact O-N 3.41Å
530	H	50.5	Low	58	Low	70 Å²	70	62.5 Å²	62.5	32%	0.324	33%	0.325	S	S	.	.	S	Bend	trans	-133.7	78	179.1	-61.6	-61.9	0	0	0	110.1	E526 A527 A528 Y532 L708 N712	E526-H530 PolarHBondContact O-N 3.33Å; A527-H530 CarbonylContact O-C 3.54Å; A528-H530 VanDerWaalsContact C-N 3.34Å; H530-Y532 PolarHBondContact O-N 3.14Å; H530-L708 HydrophobicContact CB-CD2 3.87Å; H530-N712 PolarHBondContact CD2-OD1 2.7Å
531	P	61.9	Low	60	Low	92 Å²	92	57 Å²	57	60%	0.597	30%	0.3	S	S	*	.			trans	-57.6	132.6	176.4	24	-32.5	0	0	0	109.6	N533	P531-N533 PolarHBondContact O-N 3.44Å
532	Y	64.3	Low	62.4	Low	56 Å²	56	49.3 Å²	49.3	22%	0.22	27%	0.271	C	S	.	.			trans	-57.6	114.6	-179.3	-179.8	-108.2	0	0	0	110.4	H530 Q534 A537 N693 T705 L708	H530-Y532 PolarHBondContact O-N 3.14Å; Y532-Q534 HydrophobicContact CD1-CG 3.99Å; Y532-Q534 HydrophobicContact CE1-CG 3.56Å; Y532-A537 HydrophobicContact CE2-CB 3.95Å; Y532-N693 PolarHBondContact O-ND2 3.01Å; Y532-T705 HydrophobicContact CD2-CG2 3.99Å; Y532-T705 HydrophobicContact CE2-CG2 3.76Å; Y532-L708 HydrophobicContact CD2-CD1 3.8Å; Y532-L708 HydrophobicContact CE2-CD1 4.36Å
533	N	76.7	Confident	65	Low	67 Å²	67	44.5 Å²	44.5	36%	0.358	25%	0.253	S	S	.	.			trans	-104	115.7	176.1	-178.8	-21.2	0	0	0	109.2	P531 H535 L536 A537	P531-N533 PolarHBondContact O-N 3.44Å; N533-H535 PolarHBondContact OD1-N 3.47Å; N533-H535 VanDerWaalsContact OD1-N 3.08Å; N533-L536 HydrophobicContact CB-CB 3.95Å; N533-L536 PolarHBondContact O-N 3.08Å; N533-L536 PolarHBondContact OD1-N 3.29Å; N533-A537 WeakPolarHBondContact O-CB 3.47Å; N533-A537 PolarHBondContact O-N 3.28Å
534	Q	80.3	Confident	67.3	Low	13 Å²	13	40.1 Å²	40.1	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-69.5	-40.5	-175.1	-67.3	177.6	-29.2	0	0	113.4	Y532 L536 A537 Q538 I581 L695 C697	Y532-Q534 HydrophobicContact CD1-CG 3.99Å; Y532-Q534 HydrophobicContact CE1-CG 3.56Å; Q534-L536 VanDerWaalsContact C-N 3.32Å; Q534-L536 PolarHBondContact O-N 3.35Å; Q534-A537 PolarHBondContact O-N 3.12Å; Q534-Q538 WeakPolarHBondContact O-CB 3.43Å; Q534-Q538 PolarHBondContact O-N 2.83Å; Q534-I581 HydrophobicContact CB-CD1 4.06Å; Q534-L695 PolarHBondContact NE2-O 3.44Å; Q534-C697 PolarHBondContact NE2-SG 3.27Å; Q534-C697 VanDerWaalsContact NE2-SG 3.36Å
535	H	81.5	Confident	69.5	Low	60 Å²	60	35.6 Å²	35.6	28%	0.278	21%	0.214	S	C	.	.	H	α-helix	trans	-65.9	-38.9	177.6	-70.5	-60.6	0	0	0	111.1	N533 Q538 L539 I581 L870	N533-H535 PolarHBondContact OD1-N 3.47Å; N533-H535 VanDerWaalsContact OD1-N 3.08Å; H535-Q538 PolarHBondContact O-N 3.08Å; H535-L539 WeakPolarHBondContact O-CB 3.42Å; H535-L539 PolarHBondContact O-N 2.71Å; H535-I581 WeakPolarHBondContact ND1-CD1 3.27Å; H535-L870 HydrophobicContact CB-CD1 3.58Å; H535-L870 WeakPolarHBondContact O-CD1 3.33Å
536	L	79.8	Confident	71.3	Confident	35 Å²	35	32.7 Å²	32.7	18%	0.183	20%	0.195	C	C	.	.	H	α-helix	trans	-67.1	-42.5	173.7	-177.6	61.5	0	0	0	111.6	Q393 N533 Q534 Q538 L539 L540	Q393-L536 HydrophobicContact CG-CD1 4.37Å; N533-L536 HydrophobicContact CB-CB 3.95Å; N533-L536 PolarHBondContact O-N 3.08Å; N533-L536 PolarHBondContact OD1-N 3.29Å; Q534-L536 VanDerWaalsContact C-N 3.32Å; Q534-L536 PolarHBondContact O-N 3.35Å; L536-Q538 VanDerWaalsContact C-N 3.33Å; L536-Q538 PolarHBondContact O-N 3.36Å; L536-L539 HydrophobicContact CD1-CD2 4.41Å; L536-L539 PolarHBondContact O-N 3.25Å; L536-L540 HydrophobicContact CD1-CD1 4.43Å; L536-L540 HydrophobicContact CD1-CG 4.29Å; L536-L540 HydrophobicContact CG-CD1 4.17Å; L536-L540 HydrophobicContact CG-CG 4.46Å; L536-L540 VanDerWaalsContact O-CG 3.28Å; L536-L540 WeakPolarHBondContact O-CG 3.4Å; L536-L540 PolarHBondContact O-N 3.19Å
537	A	81.3	Confident	73.1	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-48.1	175.3	0	0	0	0	0	111	Y532 N533 Q534 L539 L540 D541	Y532-A537 HydrophobicContact CE2-CB 3.95Å; N533-A537 WeakPolarHBondContact O-CB 3.47Å; N533-A537 PolarHBondContact O-N 3.28Å; Q534-A537 PolarHBondContact O-N 3.12Å; A537-L539 PolarHBondContact O-N 2.9Å; A537-L540 PolarHBondContact O-N 3.38Å; A537-D541 PolarHBondContact O-N 3.44Å
538	Q	86.7	Confident	74.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-40.1	176.3	179.2	176.9	70.9	0	0	112.5	Q534 H535 L536 D541 I542 C578 S579 I581 D869 L870	Q534-Q538 WeakPolarHBondContact O-CB 3.43Å; Q534-Q538 PolarHBondContact O-N 2.83Å; H535-Q538 PolarHBondContact O-N 3.08Å; L536-Q538 VanDerWaalsContact C-N 3.33Å; L536-Q538 PolarHBondContact O-N 3.36Å; Q538-D541 WeakPolarHBondContact O-CB 3.37Å; Q538-D541 PolarHBondContact O-N 3.31Å; Q538-I542 HydrophobicContact CG-CD1 3.84Å; Q538-I542 HydrophobicContact CG-CG1 4.5Å; Q538-I542 VanDerWaalsContact O-CD1 3.24Å; Q538-I542 WeakPolarHBondContact O-CD1 3.35Å; Q538-I542 WeakPolarHBondContact O-CG1 3.45Å; Q538-I542 PolarHBondContact O-N 3.47Å; Q538-C578 HydrophobicContact CG-CB 4.49Å; Q538-S579 PolarHBondContact NE2-O 2.86Å; Q538-I581 HydrophobicContact CB-CD1 3.93Å; Q538-I581 HydrophobicContact CG-CD1 4.4Å; Q538-I581 VanDerWaalsContact OE1-CD1 3.28Å; Q538-D869 PolarHBondContact NE2-OD1 3.47Å; Q538-D869 PolarHBondContact NE2-OD2 3.26Å; Q538-D869 PolarHBondContact OE1-OD1 2.86Å; Q538-L870 HydrophobicContact CG-CB 4.44Å
539	L	85.9	Confident	75.7	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-47.4	175.5	180	62.9	0	0	0	111.8	Q393 H535 L536 A537 D541 I542 W543 L870 L874	Q393-L539 HydrophobicContact CB-CD2 3.84Å; Q393-L539 HydrophobicContact CG-CD2 4.1Å; H535-L539 WeakPolarHBondContact O-CB 3.42Å; H535-L539 PolarHBondContact O-N 2.71Å; L536-L539 HydrophobicContact CD1-CD2 4.41Å; L536-L539 PolarHBondContact O-N 3.25Å; A537-L539 PolarHBondContact O-N 2.9Å; L539-D541 VanDerWaalsContact C-N 3.25Å; L539-D541 PolarHBondContact O-N 3.36Å; L539-I542 PolarHBondContact O-N 2.84Å; L539-W543 HydrophobicContact CD1-CD2 4.15Å; L539-W543 HydrophobicContact CD1-CH2 4.37Å; L539-W543 HydrophobicContact CD1-CZ2 3.57Å; L539-W543 HydrophobicContact CD2-CH2 4.08Å; L539-W543 HydrophobicContact CD2-CZ2 4.07Å; L539-W543 HydrophobicContact CG-CD2 4.2Å; L539-W543 HydrophobicContact CG-CH2 4.3Å; L539-W543 HydrophobicContact CG-CZ2 3.96Å; L539-W543 VanDerWaalsContact O-CG 3.28Å; L539-W543 PolarHBondContact O-N 2.82Å; L539-L870 HydrophobicContact CD1-CD2 4.34Å; L539-L874 HydrophobicContact CD1-CD1 3.3Å
540	L	83.3	Confident	77.4	Confident	33 Å²	33	27.1 Å²	27.1	17%	0.173	15%	0.149	C	C	.	.	H	α-helix	trans	-64	-35.5	177.1	-67.5	173.9	0	0	0	111.2	L536 A537 W543 G544 A545	L536-L540 HydrophobicContact CD1-CD1 4.43Å; L536-L540 HydrophobicContact CD1-CG 4.29Å; L536-L540 HydrophobicContact CG-CD1 4.17Å; L536-L540 HydrophobicContact CG-CG 4.46Å; L536-L540 VanDerWaalsContact O-CG 3.28Å; L536-L540 WeakPolarHBondContact O-CG 3.4Å; L536-L540 PolarHBondContact O-N 3.19Å; A537-L540 PolarHBondContact O-N 3.38Å; L540-W543 PolarHBondContact O-N 3.05Å; L540-G544 PolarHBondContact O-N 3.03Å; L540-A545 HydrophobicContact CB-CB 4.26Å; L540-A545 HydrophobicContact CD2-CB 3.93Å; L540-A545 WeakPolarHBondContact O-CB 3.47Å; L540-A545 PolarHBondContact O-N 3.32Å
541	D	87.7	Confident	79	Confident	16 Å²	16	26.3 Å²	26.3	9%	0.086	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-51.9	174.5	-71.2	-16.4	0	0	0	110.8	T497 A537 Q538 L539 W543 G544 C578 S579	T497-D541 HydrophobicContact CG2-CB 3.71Å; T497-D541 WeakPolarHBondContact CG2-O 3.34Å; A537-D541 PolarHBondContact O-N 3.44Å; Q538-D541 WeakPolarHBondContact O-CB 3.37Å; Q538-D541 PolarHBondContact O-N 3.31Å; L539-D541 VanDerWaalsContact C-N 3.25Å; L539-D541 PolarHBondContact O-N 3.36Å; D541-W543 PolarHBondContact O-N 3.49Å; D541-W543 VanDerWaalsContact O-N 3.15Å; D541-G544 PolarHBondContact O-N 3.05Å; D541-C578 HydrophobicContact CB-CB 3.77Å; D541-S579 PolarHBondContact OD2-N 3.48Å; D541-S579 PolarHBondContact OD2-OG 3.02Å
542	I	89	Confident	80.3	Confident	2 Å²	2	22 Å²	22	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-29.9	180	-65.9	155.3	0	0	0	111.8	Q538 L539 G544 C578 L870 L874 A887	Q538-I542 HydrophobicContact CG-CD1 3.84Å; Q538-I542 HydrophobicContact CG-CG1 4.5Å; Q538-I542 VanDerWaalsContact O-CD1 3.24Å; Q538-I542 WeakPolarHBondContact O-CD1 3.35Å; Q538-I542 WeakPolarHBondContact O-CG1 3.45Å; Q538-I542 PolarHBondContact O-N 3.47Å; L539-I542 PolarHBondContact O-N 2.84Å; I542-G544 VanDerWaalsContact C-N 3.3Å; I542-C578 HydrophobicContact CG1-CB 3.64Å; I542-L870 HydrophobicContact CD1-CB 4.15Å; I542-L874 HydrophobicContact CD1-CD1 4.38Å; I542-L874 HydrophobicContact CG2-CB 4.13Å; I542-A887 HydrophobicContact CG2-CB 3.28Å; I542-A887 WeakPolarHBondContact O-CB 3.48Å
543	W	88	Confident	81.6	Confident	4 Å²	4	19.4 Å²	19.4	2%	0.015	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.4	178.4	-67.7	7.4	0	0	0	113.5	I394 L539 L540 D541 A545 I552 A553 R554 I913	I394-W543 HydrophobicContact CG1-CZ2 4.44Å; L539-W543 HydrophobicContact CD1-CD2 4.15Å; L539-W543 HydrophobicContact CD1-CH2 4.37Å; L539-W543 HydrophobicContact CD1-CZ2 3.57Å; L539-W543 HydrophobicContact CD2-CH2 4.08Å; L539-W543 HydrophobicContact CD2-CZ2 4.07Å; L539-W543 HydrophobicContact CG-CD2 4.2Å; L539-W543 HydrophobicContact CG-CH2 4.3Å; L539-W543 HydrophobicContact CG-CZ2 3.96Å; L539-W543 VanDerWaalsContact O-CG 3.28Å; L539-W543 PolarHBondContact O-N 2.82Å; L540-W543 PolarHBondContact O-N 3.05Å; D541-W543 PolarHBondContact O-N 3.49Å; D541-W543 VanDerWaalsContact O-N 3.15Å; W543-A545 HydrophobicContact CB-CB 4.32Å; W543-A545 PolarHBondContact O-N 3.32Å; W543-I552 HydrophobicContact CB-CB 4.34Å; W543-I552 HydrophobicContact CB-CG2 4.33Å; W543-I552 HydrophobicContact CE3-CG2 4Å; W543-I552 CarbonylContact O-C 3.26Å; W543-I552 WeakPolarHBondContact O-CA 3.26Å; W543-A553 PolarHBondContact O-N 3.28Å; W543-R554 VanDerWaalsContact CG-NH1 3.26Å; W543-R554 VanDerWaalsContact NE1-NH1 3.19Å; W543-I913 HydrophobicContact CH2-CD1 3.64Å; W543-I913 HydrophobicContact CH2-CG2 4.22Å; W543-I913 HydrophobicContact CZ3-CD1 3.52Å; W543-I913 HydrophobicContact CZ3-CG2 3.99Å
544	G	84.4	Confident	82.5	Confident	3 Å²	3	16.4 Å²	16.4	3%	0.031	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	18.5	-175.9	0	0	0	0	0	113.3	L540 D541 I542 V546	L540-G544 PolarHBondContact O-N 3.03Å; D541-G544 PolarHBondContact O-N 3.05Å; I542-G544 VanDerWaalsContact C-N 3.3Å; G544-V546 PolarHBondContact O-N 2.91Å
545	A	82.8	Confident	83.3	Confident	1 Å²	1	16 Å²	16	1%	0.008	9%	0.087	C	C	.	.			trans	-80.2	55.7	-168.8	0	0	0	0	0	112.3	L540 W543 R551 I552 R707	L540-A545 HydrophobicContact CB-CB 4.26Å; L540-A545 HydrophobicContact CD2-CB 3.93Å; L540-A545 WeakPolarHBondContact O-CB 3.47Å; L540-A545 PolarHBondContact O-N 3.32Å; W543-A545 HydrophobicContact CB-CB 4.32Å; W543-A545 PolarHBondContact O-N 3.32Å; A545-R551 VanDerWaalsContact CA-O 3.29Å; A545-R551 WeakPolarHBondContact CA-O 3.12Å; A545-I552 HydrophobicContact CB-CG2 4.02Å; A545-R707 PolarHBondContact O-NH1 3.38Å; A545-R707 PolarHBondContact O-NH2 3.22Å
546	V	76.3	Confident	84	Confident	14 Å²	14	13.2 Å²	13.2	9%	0.085	7%	0.074	C	C	.	.			trans	-98.8	-14.8	-170.3	-157.3	0	0	0	0	113.6	L496 T497 G544 L703 R707 V1033	L496-V546 HydrophobicContact CB-CB 4.42Å; L496-V546 HydrophobicContact CB-CG2 4.34Å; T497-V546 HydrophobicContact CG2-CG2 3.55Å; G544-V546 PolarHBondContact O-N 2.91Å; V546-L703 HydrophobicContact CG1-CD2 4.39Å; V546-R707 WeakPolarHBondContact O-CD 3.4Å; V546-R707 PolarHBondContact O-NE 3.39Å; V546-R707 PolarHBondContact O-NH1 3.48Å; V546-R707 PolarHBondContact O-NH2 3.33Å; V546-V1033 HydrophobicContact CG1-CG1 3.82Å
547	T	72.8	Confident	84.8	Confident	13 Å²	13	11.6 Å²	11.6	8%	0.08	7%	0.066	C	C	.	.	S	Bend	trans	-95.1	160.5	-170.1	61.8	0	0	0	0	113.8	L496 P549 C550 R707 T1032	L496-T547 HydrophobicContact CD1-CG2 3.38Å; T547-P549 CarbonylContact C-O 3.52Å; T547-P549 VanDerWaalsContact C-O 3.26Å; T547-P549 CarbonylContact O-C 3.52Å; T547-P549 PolarHBondContact OG1-O 3.09Å; T547-C550 WeakPolarHBondContact O-CA 3.14Å; T547-C550 PolarHBondContact O-N 3.2Å; T547-R707 PolarHBondContact O-NH2 3.24Å; T547-T1032 WeakPolarHBondContact CG2-OG1 3.42Å
548	S	66.5	Low	85.6	Confident	49 Å²	49	11.4 Å²	11.4	34%	0.343	6%	0.064	S	C	.	.	S	Bend	trans	-122.8	112	165.6	174.3	0	0	0	0	107.4
549	P	69.3	Low	85.9	Confident	32 Å²	32	11.4 Å²	11.4	21%	0.208	6%	0.064	C	C	.	.	S	Bend	cis	-68.8	154	8.5	28.8	-36.4	0	0	0	114	T547 R551 K920	T547-P549 CarbonylContact C-O 3.52Å; T547-P549 VanDerWaalsContact C-O 3.26Å; T547-P549 CarbonylContact O-C 3.52Å; T547-P549 PolarHBondContact OG1-O 3.09Å; P549-R551 PolarHBondContact O-N 2.94Å; P549-K920 HydrophobicContact CB-CB 3.88Å; P549-K920 HydrophobicContact CB-CD 3.35Å; P549-K920 HydrophobicContact CB-CG 4.24Å; P549-K920 HydrophobicContact CG-CD 3.42Å; P549-K920 VanDerWaalsContact CG-CD 3.42Å
550	C	76.6	Confident	86.2	Confident	5 Å²	5	16.5 Å²	16.5	3%	0.034	9%	0.092	C	C	.	.			trans	-68.3	118.8	-177.7	-172.4	0	0	0	0	111.5	T547 E917 K920	T547-C550 WeakPolarHBondContact O-CA 3.14Å; T547-C550 PolarHBondContact O-N 3.2Å; C550-E917 HydrophobicContact CB-CB 4.44Å; C550-E917 HydrophobicContact CB-CG 4.47Å; C550-K920 PolarHBondContact O-N 2.91Å
551	R	84.1	Confident	86.6	Confident	53 Å²	53	21.4 Å²	21.4	20%	0.2	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.1	175.8	-173.1	-177.5	-157.9	-150.3	3.8	109.4	N494 A545 P549 E921 V923	N494-R551 PolarHBondContact OD1-NH1 2.94Å; A545-R551 VanDerWaalsContact CA-O 3.29Å; A545-R551 WeakPolarHBondContact CA-O 3.12Å; P549-R551 PolarHBondContact O-N 2.94Å; R551-E921 VanDerWaalsContact CA-O 3.31Å; R551-E921 WeakPolarHBondContact CA-O 3.26Å; R551-E921 HydrophobicContact CG-CB 4.31Å; R551-E921 IonicContact CZ-OE2 3.53Å; R551-E921 IonicContact NE-OE2 2.72Å; R551-E921 PolarHBondContact NE-OE2 2.82Å; R551-E921 IonicContact NH2-OE1 3.31Å; R551-E921 IonicContact NH2-OE2 3.67Å; R551-E921 PolarHBondContact NH2-OE2 2.78Å; R551-V923 VanDerWaalsContact NH2-CG1 3.33Å
552	I	89.3	Confident	86.7	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.2	175.3	64.6	166.4	0	0	0	111.2	W543 A545 L908 I919 E921 A922 V923	W543-I552 HydrophobicContact CB-CB 4.34Å; W543-I552 HydrophobicContact CB-CG2 4.33Å; W543-I552 HydrophobicContact CE3-CG2 4Å; W543-I552 CarbonylContact O-C 3.26Å; W543-I552 WeakPolarHBondContact O-CA 3.26Å; A545-I552 HydrophobicContact CB-CG2 4.02Å; I552-L908 HydrophobicContact CD1-CB 4.15Å; I552-L908 HydrophobicContact CD1-CD2 3.73Å; I552-L908 HydrophobicContact CD1-CG 4.41Å; I552-I919 HydrophobicContact CD1-CD1 4.14Å; I552-I919 HydrophobicContact CD1-CG2 4.39Å; I552-I919 HydrophobicContact CG1-CG2 4.01Å; I552-I919 HydrophobicContact CG2-CD1 4.09Å; I552-I919 HydrophobicContact CG2-CG1 4.2Å; I552-I919 HydrophobicContact CG2-CG2 4.29Å; I552-E921 PolarHBondContact N-O 2.8Å; I552-A922 HydrophobicContact CD1-CB 3.81Å; I552-A922 HydrophobicContact CG1-CB 3.56Å; I552-V923 WeakPolarHBondContact O-CG2 3.33Å; I552-V923 PolarHBondContact O-N 2.69Å
553	A	91.9	Very high	86.8	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.6	-176.3	0	0	0	0	0	113	N494 W543 V923	N494-A553 HydrophobicContact CB-CB 3.91Å; W543-A553 PolarHBondContact O-N 3.28Å; A553-V923 CarbonylContact C-O 3.56Å; A553-V923 WeakPolarHBondContact CA-O 3.46Å; A553-V923 HydrophobicContact CB-CG2 4.2Å
554	R	95.1	Very high	87	Confident	4 Å²	4	27.3 Å²	27.3	2%	0.015	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.2	173.6	-62.6	-70.9	179.7	-109.6	6	109.3	W543 P884 F886 M905 V923 C924 I925	W543-R554 VanDerWaalsContact CG-NH1 3.26Å; W543-R554 VanDerWaalsContact NE1-NH1 3.19Å; R554-P884 PolarHBondContact NE-O 3.36Å; R554-F886 WeakPolarHBondContact CD-O 3.42Å; R554-M905 HydrophobicContact CB-CE 4.49Å; R554-M905 HydrophobicContact CG-CE 4.02Å; R554-M905 HydrophobicContact CG-SD 4.14Å; R554-V923 PolarHBondContact N-O 3.14Å; R554-C924 HydrophobicContact CB-CB 4.07Å; R554-C924 CarbonylContact O-C 3.55Å; R554-C924 WeakPolarHBondContact O-CA 3.1Å; R554-I925 PolarHBondContact O-N 3.27Å
555	T	96.6	Very high	87.5	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.4	175.1	-56.2	0	0	0	0	110.6	H495 L572 A887 L888 A889 I925	H495-T555 PolarHBondContact CD2-OG1 3.02Å; H495-T555 PolarHBondContact NE2-OG1 3.19Å; T555-L572 HydrophobicContact CG2-CD1 3.86Å; T555-A887 PolarHBondContact N-O 3.22Å; T555-L888 HydrophobicContact CG2-CD1 3.93Å; T555-L888 WeakPolarHBondContact O-CA 3.19Å; T555-A889 PolarHBondContact O-N 3.03Å; T555-A889 VanDerWaalsContact O-N 3.08Å; T555-I925 WeakPolarHBondContact CA-O 3.34Å; T555-I925 HydrophobicContact CG2-CB 4.35Å
556	L	97	Very high	88	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.2	-179.8	-174.3	65.1	0	0	0	109.8	L558 F882 A889 T891 V897 V901 I925 V926 A927	L556-L558 HydrophobicContact CD2-CD2 3.66Å; L556-L558 HydrophobicContact CG-CD2 3.81Å; L556-F882 HydrophobicContact CD1-CD2 3.86Å; L556-F882 HydrophobicContact CD2-CD2 3.54Å; L556-F882 HydrophobicContact CD2-CE2 4.09Å; L556-F882 HydrophobicContact CD2-CG 4.26Å; L556-F882 HydrophobicContact CG-CD2 4.25Å; L556-A889 WeakPolarHBondContact CA-O 3.25Å; L556-A889 HydrophobicContact CD1-CB 4.22Å; L556-T891 HydrophobicContact CD1-CG2 3.74Å; L556-T891 HydrophobicContact CD2-CG2 4.25Å; L556-T891 HydrophobicContact CG-CG2 4.23Å; L556-V897 HydrophobicContact CD2-CG2 4.02Å; L556-V901 HydrophobicContact CD2-CG2 3.76Å; L556-I925 PolarHBondContact N-O 3.33Å; L556-V926 WeakPolarHBondContact O-CA 3.43Å; L556-A927 PolarHBondContact O-N 3.31Å
557	V	97.1	Very high	88.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.7	174.6	-174.3	0	0	0	0	109.2	V565 I568 L569 L572 A889 G890 T891 A927 T929	V557-V565 HydrophobicContact CB-CG1 3.98Å; V557-V565 HydrophobicContact CG1-CB 4.5Å; V557-V565 HydrophobicContact CG1-CG1 3.83Å; V557-V565 HydrophobicContact CG1-CG2 4.31Å; V557-I568 HydrophobicContact CG1-CB 4.41Å; V557-I568 HydrophobicContact CG1-CD1 4.08Å; V557-I568 HydrophobicContact CG1-CG2 4.16Å; V557-I568 HydrophobicContact CG2-CG2 3.92Å; V557-L569 HydrophobicContact CB-CD2 4.08Å; V557-L569 HydrophobicContact CG2-CD2 3.71Å; V557-L572 HydrophobicContact CG2-CD1 3.95Å; V557-A889 PolarHBondContact N-O 2.99Å; V557-G890 CarbonylContact O-C 3.19Å; V557-G890 VanDerWaalsContact O-CA 3.27Å; V557-G890 WeakPolarHBondContact O-CA 3.23Å; V557-T891 PolarHBondContact O-N 3.37Å; V557-A927 CarbonylContact C-O 3.59Å; V557-A927 WeakPolarHBondContact CA-O 3.35Å; V557-A927 HydrophobicContact CG2-CB 4.46Å; V557-T929 HydrophobicContact CG1-CG2 4.02Å
558	L	96.4	Very high	89.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.7	178.7	-52.4	178.9	0	0	0	110	L556 T891 F893 V897 Y898 V926 A927 N928 T929	L556-L558 HydrophobicContact CD2-CD2 3.66Å; L556-L558 HydrophobicContact CG-CD2 3.81Å; L558-T891 WeakPolarHBondContact CA-O 3.34Å; L558-T891 HydrophobicContact CD2-CG2 3.44Å; L558-T891 VanDerWaalsContact CD2-CG2 3.44Å; L558-F893 HydrophobicContact CB-CB 4.36Å; L558-F893 HydrophobicContact CB-CD2 4.48Å; L558-F893 HydrophobicContact CD1-CD2 3.85Å; L558-F893 HydrophobicContact CD1-CE2 4.48Å; L558-V897 HydrophobicContact CD1-CG1 3.61Å; L558-V897 HydrophobicContact CD2-CG1 4.27Å; L558-V897 HydrophobicContact CD2-CG2 3.95Å; L558-Y898 HydrophobicContact CD1-CE1 4.2Å; L558-V926 HydrophobicContact CD1-CG1 3.41Å; L558-V926 VanDerWaalsContact CD1-CG1 3.41Å; L558-V926 HydrophobicContact CG-CG1 3.81Å; L558-A927 PolarHBondContact N-O 2.8Å; L558-N928 HydrophobicContact CB-CB 4.34Å; L558-N928 HydrophobicContact CD1-CB 4.39Å; L558-T929 WeakPolarHBondContact O-CB 3.45Å; L558-T929 WeakPolarHBondContact O-CG2 3.32Å; L558-T929 PolarHBondContact O-N 3.33Å; L558-T929 PolarHBondContact O-OG1 3.45Å
559	G	93.6	Very high	91.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.118	C	C	.	.			trans	-171.2	151.9	175.4	0	0	0	0	0	114.1	Y878 T891 T929	G559-Y878 WeakPolarHBondContact O-CE2 3.42Å; G559-Y878 PolarHBondContact O-OH 3.48Å; G559-T891 PolarHBondContact N-O 3.17Å; G559-T929 WeakPolarHBondContact CA-OG1 3.42Å
560	D	91.7	Very high	92.5	Very high	109 Å²	109	24.5 Å²	24.5	58%	0.583	11%	0.109	S	C	*	.	S	Bend	trans	-78.6	-38.7	175	62.1	-23.6	0	0	0	112	R562 L892	D560-R562 PolarHBondContact O-N 2.96Å; D560-L892 HydrophobicContact CB-CD1 4.29Å
561	R	92.1	Very high	93.4	Very high	135 Å²	135	24.4 Å²	24.4	51%	0.509	11%	0.108	S	C	.	.			trans	-82.8	94.9	179.7	-64.6	-170.8	-58.7	170.7	3	111.1	D563 F564 V565	R561-D563 VanDerWaalsContact C-N 3.32Å; R561-D563 PolarHBondContact O-N 3.38Å; R561-F564 HydrophobicContact CB-CB 3.84Å; R561-F564 WeakPolarHBondContact O-CB 3.23Å; R561-F564 PolarHBondContact O-N 2.92Å; R561-F564 VanDerWaalsContact O-N 3.08Å; R561-V565 PolarHBondContact O-N 3.16Å
562	R	90.5	Very high	94	Very high	64 Å²	64	21.9 Å²	21.9	24%	0.242	10%	0.099	C	C	.	.	H	α-helix	trans	-46	-50.9	177.2	177.9	173.3	169.8	96.6	3.9	113	Y103 D560 F564 V565 M566 Y878	Y103-R562 VanDerWaalsContact CD1-NE 3.35Å; Y103-R562 HydrophobicContact CE1-CG 4.22Å; Y103-R562 VanDerWaalsContact CE1-NE 3.27Å; D560-R562 PolarHBondContact O-N 2.96Å; R562-F564 VanDerWaalsContact C-N 3.29Å; R562-F564 PolarHBondContact O-N 3.21Å; R562-V565 PolarHBondContact O-N 3.25Å; R562-M566 HydrophobicContact CG-CG 4.3Å; R562-M566 WeakPolarHBondContact O-CB 3.29Å; R562-M566 VanDerWaalsContact O-CG 3.25Å; R562-M566 WeakPolarHBondContact O-CG 3.34Å; R562-M566 PolarHBondContact O-N 3.33Å; R562-Y878 HydrophobicContact CB-CD1 4.38Å; R562-Y878 HydrophobicContact CB-CD2 4.47Å; R562-Y878 HydrophobicContact CB-CE1 4.49Å; R562-Y878 HydrophobicContact CB-CG 4.36Å; R562-Y878 HydrophobicContact CG-CD1 4.02Å; R562-Y878 HydrophobicContact CG-CD2 4.37Å; R562-Y878 HydrophobicContact CG-CG 3.87Å; R562-Y878 PolarHBondContact NH1-O 2.87Å
563	D	90	Very high	94.3	Very high	62 Å²	62	21.8 Å²	21.8	33%	0.332	10%	0.098	S	C	.	.	H	α-helix	trans	-63.3	-37	-176.3	-60.4	-15.9	0	0	0	112.5	Y103 R561 M566 K567	Y103-D563 PolarHBondContact OH-OD1 3.33Å; R561-D563 VanDerWaalsContact C-N 3.32Å; R561-D563 PolarHBondContact O-N 3.38Å; D563-M566 PolarHBondContact O-N 3.41Å; D563-K567 WeakPolarHBondContact O-CG 3.24Å; D563-K567 PolarHBondContact O-N 2.9Å; D563-K567 VanDerWaalsContact O-N 3.11Å
564	F	93.3	Very high	94.4	Very high	20 Å²	20	21.9 Å²	21.9	9%	0.088	10%	0.099	C	C	.	.	H	α-helix	trans	-70.8	-43.4	178.3	178.6	-108.4	0	0	0	111.5	L471 T474 C475 R561 R562 M566 K567 I568 T929 W932	L471-F564 HydrophobicContact CD2-CD2 4.12Å; L471-F564 HydrophobicContact CD2-CE2 3.64Å; L471-F564 HydrophobicContact CD2-CZ 4.41Å; T474-F564 HydrophobicContact CG2-CE2 4.41Å; C475-F564 VanDerWaalsContact SG-CE2 3.56Å; C475-F564 WeakPolarHBondContact SG-CZ 3.28Å; R561-F564 HydrophobicContact CB-CB 3.84Å; R561-F564 WeakPolarHBondContact O-CB 3.23Å; R561-F564 PolarHBondContact O-N 2.92Å; R561-F564 VanDerWaalsContact O-N 3.08Å; R562-F564 VanDerWaalsContact C-N 3.29Å; R562-F564 PolarHBondContact O-N 3.21Å; F564-M566 VanDerWaalsContact C-N 3.33Å; F564-M566 PolarHBondContact O-N 3.42Å; F564-K567 WeakPolarHBondContact O-CB 3.23Å; F564-K567 PolarHBondContact O-N 3.34Å; F564-I568 HydrophobicContact CD1-CD1 4.16Å; F564-I568 HydrophobicContact CE1-CD1 3.69Å; F564-I568 HydrophobicContact CZ-CD1 3.95Å; F564-I568 PolarHBondContact O-N 3.06Å; F564-T929 HydrophobicContact CD1-CG2 4.16Å; F564-T929 HydrophobicContact CE1-CG2 3.7Å; F564-W932 HydrophobicContact CE1-CH2 4.1Å; F564-W932 HydrophobicContact CE1-CZ3 4.18Å; F564-W932 AromaticContact CZ-CH2 3.76Å; F564-W932 HydrophobicContact CZ-CH2 3.76Å; F564-W932 AromaticContact CZ-CZ3 3.89Å; F564-W932 HydrophobicContact CZ-CZ3 3.89Å
565	V	94.2	Very high	94.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-44.2	173.1	175.4	0	0	0	0	110.6	V557 R561 R562 K567 I568 L569 Y878	V557-V565 HydrophobicContact CB-CG1 3.98Å; V557-V565 HydrophobicContact CG1-CB 4.5Å; V557-V565 HydrophobicContact CG1-CG1 3.83Å; V557-V565 HydrophobicContact CG1-CG2 4.31Å; R561-V565 PolarHBondContact O-N 3.16Å; R562-V565 PolarHBondContact O-N 3.25Å; V565-K567 VanDerWaalsContact C-N 3.29Å; V565-K567 PolarHBondContact O-N 3.17Å; V565-I568 WeakPolarHBondContact O-CB 3.34Å; V565-I568 PolarHBondContact O-N 3.46Å; V565-L569 HydrophobicContact CG1-CD1 4.27Å; V565-L569 HydrophobicContact CG1-CG 4.2Å; V565-L569 WeakPolarHBondContact O-CG 3.32Å; V565-L569 PolarHBondContact O-N 3.07Å; V565-Y878 HydrophobicContact CB-CD2 3.79Å; V565-Y878 HydrophobicContact CB-CE2 4.08Å; V565-Y878 HydrophobicContact CG1-CD2 3.67Å; V565-Y878 HydrophobicContact CG1-CE2 4.17Å; V565-Y878 HydrophobicContact CG2-CD2 4.28Å; V565-Y878 HydrophobicContact CG2-CE2 4.05Å
566	M	93.1	Very high	94.4	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.015	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-36.4	177.6	-72.5	-64.8	-68.9	0	0	112.8	F440 R562 D563 F564 L569 F570 Y831 A877 Y878	F440-M566 HydrophobicContact CD2-CE 3.99Å; F440-M566 HydrophobicContact CE2-CE 3.88Å; R562-M566 HydrophobicContact CG-CG 4.3Å; R562-M566 WeakPolarHBondContact O-CB 3.29Å; R562-M566 VanDerWaalsContact O-CG 3.25Å; R562-M566 WeakPolarHBondContact O-CG 3.34Å; R562-M566 PolarHBondContact O-N 3.33Å; D563-M566 PolarHBondContact O-N 3.41Å; F564-M566 VanDerWaalsContact C-N 3.33Å; F564-M566 PolarHBondContact O-N 3.42Å; M566-L569 PolarHBondContact O-N 3.48Å; M566-L569 HydrophobicContact SD-CD1 4.05Å; M566-F570 WeakPolarHBondContact O-CB 3.4Å; M566-F570 PolarHBondContact O-N 2.79Å; M566-Y831 HydrophobicContact CB-CD2 4.44Å; M566-Y831 HydrophobicContact CE-CD1 3.81Å; M566-Y831 HydrophobicContact CE-CD2 3.83Å; M566-Y831 HydrophobicContact CE-CE1 3.75Å; M566-Y831 HydrophobicContact CE-CE2 3.81Å; M566-Y831 HydrophobicContact CE-CG 3.82Å; M566-A877 HydrophobicContact CE-CB 3.97Å; M566-A877 HydrophobicContact SD-CB 3.98Å; M566-Y878 PolarHBondContact SD-N 3.18Å; M566-Y878 VanDerWaalsContact SD-N 3.37Å
567	K	94.3	Very high	94.1	Very high	41 Å²	41	21.9 Å²	21.9	18%	0.178	10%	0.098	C	C	.	.	H	α-helix	trans	-62.9	-41.9	172.5	-72.3	177.5	-174.8	-169	0	111.8	V467 Q470 L471 D563 F564 V565 F570 I571 I829	V467-K567 HydrophobicContact CG1-CB 3.8Å; V467-K567 HydrophobicContact CG1-CD 4.44Å; V467-K567 HydrophobicContact CG1-CG 3.97Å; Q470-K567 VanDerWaalsContact OE1-NZ 3.17Å; L471-K567 HydrophobicContact CD1-CB 4.19Å; L471-K567 HydrophobicContact CD2-CB 4.07Å; L471-K567 HydrophobicContact CG-CB 4.35Å; D563-K567 WeakPolarHBondContact O-CG 3.24Å; D563-K567 PolarHBondContact O-N 2.9Å; D563-K567 VanDerWaalsContact O-N 3.11Å; F564-K567 WeakPolarHBondContact O-CB 3.23Å; F564-K567 PolarHBondContact O-N 3.34Å; V565-K567 VanDerWaalsContact C-N 3.29Å; V565-K567 PolarHBondContact O-N 3.17Å; K567-F570 WeakPolarHBondContact O-CB 3.45Å; K567-F570 PolarHBondContact O-N 3.01Å; K567-I571 PolarHBondContact O-N 3.2Å; K567-I829 WeakPolarHBondContact CE-O 3.33Å; K567-I829 PolarHBondContact NZ-O 2.64Å
568	I	95.7	Very high	93.7	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-64.2	-46.5	176.2	-63.8	164.9	0	0	0	110.5	L471 F483 L487 V557 F564 V565 F570 I571 L572 T929	L471-I568 HydrophobicContact CD1-CG1 4.06Å; L471-I568 HydrophobicContact CD2-CG1 4.17Å; F483-I568 HydrophobicContact CE1-CD1 4Å; L487-I568 HydrophobicContact CD2-CG2 3.54Å; V557-I568 HydrophobicContact CG1-CB 4.41Å; V557-I568 HydrophobicContact CG1-CD1 4.08Å; V557-I568 HydrophobicContact CG1-CG2 4.16Å; V557-I568 HydrophobicContact CG2-CG2 3.92Å; F564-I568 HydrophobicContact CD1-CD1 4.16Å; F564-I568 HydrophobicContact CE1-CD1 3.69Å; F564-I568 HydrophobicContact CZ-CD1 3.95Å; F564-I568 PolarHBondContact O-N 3.06Å; V565-I568 WeakPolarHBondContact O-CB 3.34Å; V565-I568 PolarHBondContact O-N 3.46Å; I568-F570 VanDerWaalsContact C-N 3.27Å; I568-F570 PolarHBondContact O-N 3.3Å; I568-I571 PolarHBondContact O-N 2.92Å; I568-L572 HydrophobicContact CG2-CD1 3.95Å; I568-L572 HydrophobicContact CG2-CG 4.31Å; I568-L572 WeakPolarHBondContact O-CG 3.18Å; I568-L572 PolarHBondContact O-N 3.37Å; I568-T929 HydrophobicContact CD1-CG2 3.66Å
569	L	95	Very high	93.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.5	-39.2	177.2	-59.7	-178.9	0	0	0	111.6	F440 V557 V565 M566 I571 L572 S573 L888	F440-L569 HydrophobicContact CE2-CB 4.35Å; V557-L569 HydrophobicContact CB-CD2 4.08Å; V557-L569 HydrophobicContact CG2-CD2 3.71Å; V565-L569 HydrophobicContact CG1-CD1 4.27Å; V565-L569 HydrophobicContact CG1-CG 4.2Å; V565-L569 WeakPolarHBondContact O-CG 3.32Å; V565-L569 PolarHBondContact O-N 3.07Å; M566-L569 PolarHBondContact O-N 3.48Å; M566-L569 HydrophobicContact SD-CD1 4.05Å; L569-I571 PolarHBondContact O-N 3.22Å; L569-L572 PolarHBondContact O-N 3.46Å; L569-S573 WeakPolarHBondContact O-CB 3.46Å; L569-S573 PolarHBondContact O-N 2.91Å; L569-L888 HydrophobicContact CB-CD2 4.34Å; L569-L888 HydrophobicContact CD2-CD1 3.6Å; L569-L888 HydrophobicContact CD2-CD2 4.34Å; L569-L888 HydrophobicContact CD2-CG 3.84Å; L569-L888 WeakPolarHBondContact O-CD2 3.41Å
570	F	94.7	Very high	92.5	Very high	5 Å²	5	23 Å²	23	2%	0.022	11%	0.106	C	C	.	.	H	α-helix	trans	-58.2	-47.6	175.3	-178.3	-123.8	0	0	0	111.9	F440 V444 L460 T463 F464 V467 M566 K567 I568 S573 F835	F440-F570 AromaticContact CE1-CD2 3.78Å; F440-F570 HydrophobicContact CE1-CD2 3.78Å; F440-F570 HydrophobicContact CE2-CB 4.35Å; F440-F570 HydrophobicContact CZ-CB 3.67Å; F440-F570 AromaticContact CZ-CD2 3.56Å; F440-F570 HydrophobicContact CZ-CD2 3.56Å; F440-F570 HydrophobicContact CZ-CG 4.07Å; V444-F570 HydrophobicContact CG2-CD2 3.42Å; V444-F570 VanDerWaalsContact CG2-CD2 3.42Å; V444-F570 HydrophobicContact CG2-CE1 4.49Å; V444-F570 HydrophobicContact CG2-CE2 3.16Å; V444-F570 HydrophobicContact CG2-CG 4.23Å; V444-F570 HydrophobicContact CG2-CZ 3.77Å; V444-F570 WeakPolarHBondContact CG2-O 3.31Å; L460-F570 HydrophobicContact CD1-CE2 4.09Å; L460-F570 HydrophobicContact CD1-CZ 3.99Å; T463-F570 HydrophobicContact CG2-CE1 4.16Å; T463-F570 HydrophobicContact CG2-CZ 4.2Å; F464-F570 HydrophobicContact CB-CE1 4.31Å; F464-F570 HydrophobicContact CB-CZ 4.4Å; F464-F570 HydrophobicContact CD2-CE1 4.46Å; V467-F570 HydrophobicContact CB-CD1 4.03Å; V467-F570 HydrophobicContact CB-CE1 4.2Å; V467-F570 HydrophobicContact CG1-CD1 4.02Å; V467-F570 HydrophobicContact CG2-CD1 4.12Å; V467-F570 HydrophobicContact CG2-CE1 4.09Å; M566-F570 WeakPolarHBondContact O-CB 3.4Å; M566-F570 PolarHBondContact O-N 2.79Å; K567-F570 WeakPolarHBondContact O-CB 3.45Å; K567-F570 PolarHBondContact O-N 3.01Å; I568-F570 VanDerWaalsContact C-N 3.27Å; I568-F570 PolarHBondContact O-N 3.3Å; F570-S573 PolarHBondContact O-N 2.87Å; F570-S573 PolarHBondContact O-OG 3.45Å; F570-F835 HydrophobicContact CE2-CE2 4.16Å; F570-F835 AromaticContact CE2-CZ 3.78Å; F570-F835 HydrophobicContact CE2-CZ 3.78Å; F570-F835 HydrophobicContact CZ-CZ 4.43Å
571	I	96	Very high	91.9	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-65.6	-43.9	177.2	-63.1	-47.8	0	0	0	111.6	F464 V467 F468 L471 K567 I568 L569 S573 Y574 F575	F464-I571 HydrophobicContact CD2-CD1 3.7Å; F464-I571 HydrophobicContact CE2-CD1 3.57Å; F464-I571 HydrophobicContact CE2-CG2 4.41Å; F464-I571 HydrophobicContact CG-CD1 4.42Å; F464-I571 HydrophobicContact CZ-CD1 4.16Å; V467-I571 HydrophobicContact CB-CD1 4.19Å; V467-I571 HydrophobicContact CG1-CD1 4.04Å; V467-I571 HydrophobicContact CG1-CG1 4.14Å; F468-I571 HydrophobicContact CB-CD1 3.89Å; F468-I571 HydrophobicContact CD2-CD1 4.33Å; F468-I571 HydrophobicContact CD2-CG2 3.85Å; F468-I571 HydrophobicContact CE2-CG2 4.3Å; L471-I571 HydrophobicContact CD1-CB 4.37Å; L471-I571 HydrophobicContact CD1-CG1 3.66Å; K567-I571 PolarHBondContact O-N 3.2Å; I568-I571 PolarHBondContact O-N 2.92Å; L569-I571 PolarHBondContact O-N 3.22Å; I571-S573 PolarHBondContact O-N 2.91Å; I571-Y574 WeakPolarHBondContact O-CB 3.29Å; I571-Y574 PolarHBondContact O-N 2.52Å; I571-Y574 VanDerWaalsContact O-N 3.15Å; I571-F575 HydrophobicContact CG2-CD2 4.3Å; I571-F575 HydrophobicContact CG2-CE2 3.83Å; I571-F575 WeakPolarHBondContact O-CD2 3.44Å
572	L	96.9	Very high	90.9	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-62.6	-29.7	178	-71.2	177.1	0	0	0	113.1	L487 L488 C491 T555 V557 I568 L569 Y574 F575 I576 L888	L487-L572 HydrophobicContact CD2-CD1 4.2Å; L487-L572 HydrophobicContact CG-CD1 4.49Å; L487-L572 HydrophobicContact CG-CD2 4.22Å; L488-L572 HydrophobicContact CD2-CD2 4.21Å; C491-L572 HydrophobicContact CB-CD2 4.07Å; T555-L572 HydrophobicContact CG2-CD1 3.86Å; V557-L572 HydrophobicContact CG2-CD1 3.95Å; I568-L572 HydrophobicContact CG2-CD1 3.95Å; I568-L572 HydrophobicContact CG2-CG 4.31Å; I568-L572 WeakPolarHBondContact O-CG 3.18Å; I568-L572 PolarHBondContact O-N 3.37Å; L569-L572 PolarHBondContact O-N 3.46Å; L572-Y574 PolarHBondContact O-N 3.01Å; L572-Y574 VanDerWaalsContact O-N 3.1Å; L572-F575 PolarHBondContact O-N 3.42Å; L572-I576 PolarHBondContact O-N 2.75Å; L572-L888 HydrophobicContact CB-CD1 4.04Å; L572-L888 HydrophobicContact CB-CD2 3.84Å; L572-L888 HydrophobicContact CD1-CD1 3.71Å
573	S	94.4	Very high	89.9	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-8.4	177	79.9	0	0	0	0	114.7	V444 W445 L569 F570 I571	V444-S573 VanDerWaalsContact CG2-OG 3.31Å; V444-S573 WeakPolarHBondContact CG2-OG 3.46Å; V444-S573 PolarHBondContact N-OG 3.34Å; W445-S573 WeakPolarHBondContact CB-O 3.43Å; W445-S573 PolarHBondContact N-O 3.38Å; L569-S573 WeakPolarHBondContact O-CB 3.46Å; L569-S573 PolarHBondContact O-N 2.91Å; F570-S573 PolarHBondContact O-N 2.87Å; F570-S573 PolarHBondContact O-OG 3.45Å; I571-S573 PolarHBondContact O-N 2.91Å
574	Y	95.4	Very high	88.7	Confident	3 Å²	3	20.9 Å²	20.9	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-86.8	-38.8	168.8	175.8	-103.2	0	0	0	112.6	V444 L448 F464 I571 L572 R577 M979 L982 E983	V444-Y574 HydrophobicContact CG1-CD2 3.92Å; V444-Y574 HydrophobicContact CG1-CG 4.44Å; L448-Y574 HydrophobicContact CD1-CD2 4.02Å; L448-Y574 HydrophobicContact CD1-CE2 3.97Å; F464-Y574 VanDerWaalsContact CE2-CB 3.47Å; F464-Y574 HydrophobicContact CE2-CD1 4.35Å; F464-Y574 AromaticContact CE2-CG 3.9Å; F464-Y574 HydrophobicContact CE2-CG 3.9Å; F464-Y574 AromaticContact CZ-CD1 3.82Å; F464-Y574 HydrophobicContact CZ-CD1 3.82Å; F464-Y574 HydrophobicContact CZ-CD2 4.45Å; F464-Y574 HydrophobicContact CZ-CE1 4.45Å; F464-Y574 AromaticContact CZ-CG 3.79Å; F464-Y574 HydrophobicContact CZ-CG 3.79Å; I571-Y574 WeakPolarHBondContact O-CB 3.29Å; I571-Y574 PolarHBondContact O-N 2.52Å; I571-Y574 VanDerWaalsContact O-N 3.15Å; L572-Y574 PolarHBondContact O-N 3.01Å; L572-Y574 VanDerWaalsContact O-N 3.1Å; Y574-R577 WeakPolarHBondContact O-CG 3.31Å; Y574-M979 HydrophobicContact CD2-CE 4.21Å; Y574-M979 HydrophobicContact CE2-CE 3.48Å; Y574-M979 VanDerWaalsContact CE2-CE 3.48Å; Y574-L982 HydrophobicContact CE1-CD1 4.43Å; Y574-E983 PolarHBondContact OH-OE1 3.12Å
575	F	96.4	Very high	86.9	Confident	1 Å²	1	25.6 Å²	25.6	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-84.5	-27.8	-175.8	-64	-76.3	0	0	0	112.8	F468 L488 L492 I571 L572 R577 M961	F468-F575 HydrophobicContact CE2-CE2 4.41Å; F468-F575 HydrophobicContact CE2-CZ 4.33Å; L488-F575 HydrophobicContact CD1-CE2 4.13Å; L488-F575 HydrophobicContact CD1-CZ 4.15Å; L488-F575 HydrophobicContact CD2-CD2 3.4Å; L488-F575 VanDerWaalsContact CD2-CD2 3.4Å; L488-F575 HydrophobicContact CD2-CE2 3.35Å; L488-F575 HydrophobicContact CD2-CG 4.11Å; L488-F575 HydrophobicContact CD2-CZ 4.01Å; L488-F575 HydrophobicContact CG-CE2 4.39Å; L492-F575 HydrophobicContact CD2-CB 4.34Å; L492-F575 HydrophobicContact CD2-CD1 3.95Å; L492-F575 HydrophobicContact CG-CD1 4.49Å; I571-F575 HydrophobicContact CG2-CD2 4.3Å; I571-F575 HydrophobicContact CG2-CE2 3.83Å; I571-F575 WeakPolarHBondContact O-CD2 3.44Å; L572-F575 PolarHBondContact O-N 3.42Å; F575-R577 PolarHBondContact O-N 3.28Å; F575-R577 VanDerWaalsContact O-N 3.11Å; F575-M961 HydrophobicContact CE1-CE 4.13Å; F575-M961 HydrophobicContact CZ-CE 4.22Å
576	I	94.2	Very high	84.7	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.163	C	C	.	.	S	Bend	trans	-80.6	89.1	170.2	-58.2	176.4	0	0	0	108.1	L572 L888	L572-I576 PolarHBondContact O-N 2.75Å; I576-L888 HydrophobicContact CD1-CB 3.85Å; I576-L888 HydrophobicContact CD1-CD1 4.05Å; I576-L888 HydrophobicContact CD1-CD2 4.15Å; I576-L888 HydrophobicContact CD1-CG 4.23Å
577	R	92	Very high	82.4	Confident	4 Å²	4	35 Å²	35	2%	0.015	20%	0.201	C	C	.	.			trans	-91.1	144.7	-174.5	-60.8	-171.3	-178	-178.2	-4.9	111.9	W445 T497 W498 S501 Y574 F575 E983	W445-R577 HydrophobicContact CD2-CB 4.09Å; W445-R577 HydrophobicContact CD2-CG 3.64Å; W445-R577 HydrophobicContact CE3-CG 3.89Å; W445-R577 HydrophobicContact CG-CB 4.23Å; W445-R577 HydrophobicContact CG-CG 3.99Å; W445-R577 HydrophobicContact CZ2-CB 4.35Å; W445-R577 HydrophobicContact CZ2-CG 4.29Å; W445-R577 HydrophobicContact CZ3-CG 4.32Å; T497-R577 WeakPolarHBondContact CB-O 3.24Å; T497-R577 PolarHBondContact OG1-O 3.39Å; W498-R577 HydrophobicContact CB-CB 4.49Å; W498-R577 HydrophobicContact CB-CG 4.14Å; S501-R577 VanDerWaalsContact OG-CD 3.26Å; S501-R577 WeakPolarHBondContact OG-CD 3.13Å; S501-R577 PolarHBondContact OG-NH1 2.72Å; Y574-R577 WeakPolarHBondContact O-CG 3.31Å; F575-R577 PolarHBondContact O-N 3.28Å; F575-R577 VanDerWaalsContact O-N 3.11Å; R577-E983 IonicContact CZ-OE1 3.53Å; R577-E983 IonicContact CZ-OE2 2.75Å; R577-E983 IonicContact NH1-OE1 2.65Å; R577-E983 PolarHBondContact NH1-OE1 3.46Å; R577-E983 IonicContact NH1-OE2 3.26Å; R577-E983 PolarHBondContact NH1-OE2 3Å; R577-E983 IonicContact NH2-OE1 3.94Å; R577-E983 PolarHBondContact NH2-OE1 2.98Å; R577-E983 IonicContact NH2-OE2 3.44Å; R577-E983 PolarHBondContact NH2-OE2 3.44Å
578	C	88.3	Confident	80	Confident	10 Å²	10	36.2 Å²	36.2	7%	0.068	21%	0.212	C	C	.	.			trans	-146.5	162.2	168.9	64.2	0	0	0	0	111.3	W445 Q538 D541 I542	W445-C578 PolarHBondContact NE1-O 3.43Å; Q538-C578 HydrophobicContact CG-CB 4.49Å; D541-C578 HydrophobicContact CB-CB 3.77Å; I542-C578 HydrophobicContact CG1-CB 3.64Å
579	S	83.3	Confident	77.4	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.021	24%	0.239	C	C	.	.			trans	-60.1	154.2	167.4	45	0	0	0	0	110.7	Q538 D541	Q538-S579 PolarHBondContact NE2-O 2.86Å; D541-S579 PolarHBondContact OD2-N 3.48Å; D541-S579 PolarHBondContact OD2-OG 3.02Å
580	S	81.1	Confident	74.8	Confident	11 Å²	11	43.1 Å²	43.1	8%	0.077	25%	0.254	C	S	.	.			trans	-113.6	138.6	173.7	176.8	0	0	0	0	109.8	H450	H450-S580 VanDerWaalsContact CE1-CB 3.43Å; H450-S580 WeakPolarHBondContact CE1-CB 3.46Å; H450-S580 PolarHBondContact CE1-OG 3.33Å; H450-S580 PolarHBondContact ND1-OG 3.22Å
581	I	79.4	Confident	72.4	Confident	16 Å²	16	48.5 Å²	48.5	8%	0.082	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-109.1	119.7	-173.5	-59.2	175.1	0	0	0	109.1	Q534 H535 Q538 D869	Q534-I581 HydrophobicContact CB-CD1 4.06Å; H535-I581 WeakPolarHBondContact ND1-CD1 3.27Å; Q538-I581 HydrophobicContact CB-CD1 3.93Å; Q538-I581 HydrophobicContact CG-CD1 4.4Å; Q538-I581 VanDerWaalsContact OE1-CD1 3.28Å; I581-D869 PolarHBondContact N-OD2 2.83Å
582	E	72	Confident	70.2	Confident	73 Å²	73	51 Å²	51	34%	0.341	30%	0.301	S	S	.	.			trans	-104.1	134.3	174.6	-64	-172.6	135.6	0	0	110.6	H450	H450-E582 IonicContact CD2-OE1 3.44Å; H450-E582 PolarHBondContact CD2-OE1 3.35Å; H450-E582 IonicContact CE1-OE1 2.68Å; H450-E582 IonicContact CG-OE1 3.06Å; H450-E582 IonicContact NE2-OE1 3.85Å; H450-E582 PolarHBondContact NE2-OE1 3Å; H450-E582 VanDerWaalsContact NE2-OE1 3.12Å; H450-E582 IonicContact NE2-OE2 3.56Å
583	Q	68.9	Low	67.6	Low	134 Å²	134	56.3 Å²	56.3	63%	0.626	33%	0.326	S	S	*	.			trans	-94	116.8	171.5	-166.2	173.3	19.5	0	0	109.3	S585	Q583-S585 PolarHBondContact O-N 3.06Å
584	N	65.2	Low	64.9	Low	102 Å²	102	60.4 Å²	60.4	55%	0.545	35%	0.354	S	S	.	.			trans	-68.5	116.6	174.1	-70.9	-11.9	0	0	0	109.4
585	S	54.2	Low	62.6	Low	120 Å²	120	62.5 Å²	62.5	84%	0.839	37%	0.371	S	S	*	.			trans	-85.2	-7.4	-177.6	56.1	0	0	0	0	114.3	Q583 P587	Q583-S585 PolarHBondContact O-N 3.06Å; S585-P587 WeakPolarHBondContact O-CD 3.29Å
586	S	49.2	Very low	60.2	Low	74 Å²	74	68.2 Å²	68.2	52%	0.517	40%	0.398	S	S	.	.			trans	-80.6	123.3	176.1	55.1	0	0	0	0	110.7	V588	S586-V588 PolarHBondContact O-N 2.99Å; S586-V588 VanDerWaalsContact OG-CG2 3.28Å; S586-V588 WeakPolarHBondContact OG-CG2 3.08Å
587	P	44.6	Very low	57.8	Low	125 Å²	125	72.7 Å²	72.7	81%	0.812	42%	0.422	S	S	*	.			trans	-70.4	77.2	157.1	31.4	-30.9	0	0	0	106.3	S585 N589	S585-P587 WeakPolarHBondContact O-CD 3.29Å; P587-N589 VanDerWaalsContact C-N 3.26Å; P587-N589 PolarHBondContact O-N 3.06Å
588	V	42.4	Very low	55.8	Low	68 Å²	68	74.6 Å²	74.6	41%	0.412	44%	0.438	S	S	.	.			trans	-61.1	103.8	164.7	-176.9	0	0	0	0	104.4	S586 A590 E593	S586-V588 PolarHBondContact O-N 2.99Å; S586-V588 VanDerWaalsContact OG-CG2 3.28Å; S586-V588 WeakPolarHBondContact OG-CG2 3.08Å; V588-A590 PolarHBondContact O-N 3.16Å; V588-E593 HydrophobicContact CG1-CG 4.07Å
589	N	41.2	Very low	53.8	Low	110 Å²	110	82.8 Å²	82.8	59%	0.588	47%	0.467	S	S	*	.			trans	-51.9	107.9	-179.7	-156.5	-2	0	0	0	105.4	P587 N591 S592	P587-N589 VanDerWaalsContact C-N 3.26Å; P587-N589 PolarHBondContact O-N 3.06Å; N589-N591 PolarHBondContact O-N 3.26Å; N589-S592 PolarHBondContact O-N 2.94Å; N589-S592 PolarHBondContact O-OG 3.44Å
590	A	42.2	Very low	52	Low	39 Å²	39	88.7 Å²	88.7	32%	0.322	50%	0.498	S	S	.	.	H	α-helix	trans	-54.9	-16.8	-171.6	0	0	0	0	0	112.3	V588	V588-A590 PolarHBondContact O-N 3.16Å
591	N	43.9	Very low	50.4	Low	119 Å²	119	93.6 Å²	93.6	64%	0.636	52%	0.523	S	S	*	.	H	α-helix	trans	-73.2	-26.4	175.1	-58.4	-9.8	0	0	0	114.1	N589 A595	N589-N591 PolarHBondContact O-N 3.26Å; N591-A595 WeakPolarHBondContact O-CB 3.28Å; N591-A595 PolarHBondContact O-N 2.8Å
592	S	48.3	Very low	48.7	Very low	54 Å²	54	99 Å²	99	38%	0.378	55%	0.552	S	S	.	*	H	α-helix	trans	-80.7	-37.7	-176.9	73.1	0	0	0	0	113.4	N589 A595 Q596	N589-S592 PolarHBondContact O-N 2.94Å; N589-S592 PolarHBondContact O-OG 3.44Å; S592-A595 PolarHBondContact O-N 3.41Å; S592-Q596 WeakPolarHBondContact O-CB 3.34Å; S592-Q596 WeakPolarHBondContact O-CG 3.27Å; S592-Q596 PolarHBondContact O-N 3.09Å
593	E	42.2	Very low	47.1	Very low	112 Å²	112	101.4 Å²	101.4	52%	0.523	57%	0.567	S	S	.	*	H	α-helix	trans	-74.1	-38.3	175.2	-74.1	-173	164.7	0	0	111.3	V588 A595 Q596 L597	V588-E593 HydrophobicContact CG1-CG 4.07Å; E593-A595 VanDerWaalsContact C-N 3.32Å; E593-A595 PolarHBondContact O-N 3.33Å; E593-Q596 PolarHBondContact O-N 2.76Å; E593-L597 VanDerWaalsContact O-CB 3.26Å; E593-L597 WeakPolarHBondContact O-CB 3.34Å; E593-L597 VanDerWaalsContact O-CG 3.26Å; E593-L597 WeakPolarHBondContact O-CG 3.39Å; E593-L597 PolarHBondContact O-N 3.19Å
594	C	39.5	Very low	45.5	Very low	87 Å²	87	101.9 Å²	101.9	59%	0.588	57%	0.574	S	S	*	*	H	α-helix	trans	-63.4	-36.4	169.9	-76.9	0	0	0	0	112.1	A598	C594-A598 WeakPolarHBondContact O-CB 3.43Å; C594-A598 PolarHBondContact O-N 3.33Å
595	A	46.6	Very low	44	Very low	46 Å²	46	104.1 Å²	104.1	38%	0.38	59%	0.586	S	S	.	*	H	α-helix	trans	-71.9	-36	175	0	0	0	0	0	113.2	N591 S592 E593 R599	N591-A595 WeakPolarHBondContact O-CB 3.28Å; N591-A595 PolarHBondContact O-N 2.8Å; S592-A595 PolarHBondContact O-N 3.41Å; E593-A595 VanDerWaalsContact C-N 3.32Å; E593-A595 PolarHBondContact O-N 3.33Å; A595-R599 WeakPolarHBondContact O-CG 3.4Å; A595-R599 PolarHBondContact O-N 3.13Å
596	Q	45.3	Very low	42.8	Very low	122 Å²	122	107.6 Å²	107.6	57%	0.57	59%	0.589	S	S	*	*	H	α-helix	trans	-70.2	-39.6	173.9	-80.2	176.5	-9	0	0	112	S592 E593 R599 L600	S592-Q596 WeakPolarHBondContact O-CB 3.34Å; S592-Q596 WeakPolarHBondContact O-CG 3.27Å; S592-Q596 PolarHBondContact O-N 3.09Å; E593-Q596 PolarHBondContact O-N 2.76Å; Q596-R599 PolarHBondContact O-N 2.84Å; Q596-L600 WeakPolarHBondContact O-CG 3.42Å; Q596-L600 PolarHBondContact O-N 2.8Å
597	L	44.5	Very low	41.8	Very low	98 Å²	98	108.7 Å²	108.7	51%	0.513	60%	0.597	S	S	.	*	H	α-helix	trans	-71.5	-35.7	174.9	-71.7	168.9	0	0	0	112.1	E593 R599 L600 L601	E593-L597 VanDerWaalsContact O-CB 3.26Å; E593-L597 WeakPolarHBondContact O-CB 3.34Å; E593-L597 VanDerWaalsContact O-CG 3.26Å; E593-L597 WeakPolarHBondContact O-CG 3.39Å; E593-L597 PolarHBondContact O-N 3.19Å; L597-R599 VanDerWaalsContact C-N 3.31Å; L597-R599 PolarHBondContact O-N 3.19Å; L597-L600 HydrophobicContact CD2-CD1 4.49Å; L597-L600 PolarHBondContact O-N 3.46Å; L597-L601 WeakPolarHBondContact O-CB 3.06Å; L597-L601 VanDerWaalsContact O-CG 3.25Å; L597-L601 WeakPolarHBondContact O-CG 3.48Å; L597-L601 PolarHBondContact O-N 3.5Å
598	A	49.4	Very low	41.1	Very low	43 Å²	43	110.6 Å²	110.6	36%	0.355	60%	0.599	S	S	.	*	H	α-helix	trans	-64.9	-34.4	171.6	0	0	0	0	0	112	C594 N602	C594-A598 WeakPolarHBondContact O-CB 3.43Å; C594-A598 PolarHBondContact O-N 3.33Å; A598-N602 WeakPolarHBondContact O-CB 3.15Å; A598-N602 PolarHBondContact O-N 3.35Å; A598-N602 PolarHBondContact O-ND2 3.39Å
599	R	46.4	Very low	40.4	Very low	182 Å²	182	118.4 Å²	118.4	69%	0.687	63%	0.628	S	S	*	*	H	α-helix	trans	-66.6	-45.3	171.4	-75	177.4	-170.5	172.2	2.7	111.9	A595 Q596 L597 L601 N602 D603	A595-R599 WeakPolarHBondContact O-CG 3.4Å; A595-R599 PolarHBondContact O-N 3.13Å; Q596-R599 PolarHBondContact O-N 2.84Å; L597-R599 VanDerWaalsContact C-N 3.31Å; L597-R599 PolarHBondContact O-N 3.19Å; R599-L601 VanDerWaalsContact C-N 3.26Å; R599-L601 PolarHBondContact O-N 2.65Å; R599-N602 PolarHBondContact O-N 3.39Å; R599-D603 PolarHBondContact O-N 3.4Å
600	L	45.8	Very low	39.8	Very low	128 Å²	128	116.1 Å²	116.1	67%	0.67	63%	0.63	S	S	*	*	H	α-helix	trans	-66.5	-23.7	177.1	-74.3	168	0	0	0	114.2	Q596 L597	Q596-L600 WeakPolarHBondContact O-CG 3.42Å; Q596-L600 PolarHBondContact O-N 2.8Å; L597-L600 HydrophobicContact CD2-CD1 4.49Å; L597-L600 PolarHBondContact O-N 3.46Å
601	L	47	Very low	39.2	Very low	114 Å²	114	118.9 Å²	118.9	60%	0.597	65%	0.654	S	S	*	*	H	α-helix	trans	-92.2	-12.7	175.8	-70.7	168.8	0	0	0	113.2	L597 R599	L597-L601 WeakPolarHBondContact O-CB 3.06Å; L597-L601 VanDerWaalsContact O-CG 3.25Å; L597-L601 WeakPolarHBondContact O-CG 3.48Å; L597-L601 PolarHBondContact O-N 3.5Å; R599-L601 VanDerWaalsContact C-N 3.26Å; R599-L601 PolarHBondContact O-N 2.65Å
602	N	45.1	Very low	38.4	Very low	128 Å²	128	119.7 Å²	119.7	68%	0.684	67%	0.665	S	S	*	*	H	α-helix	trans	-101	-6.1	178.6	-72.3	-22.1	0	0	0	113.1	A598 R599 D604	A598-N602 WeakPolarHBondContact O-CB 3.15Å; A598-N602 PolarHBondContact O-N 3.35Å; A598-N602 PolarHBondContact O-ND2 3.39Å; R599-N602 PolarHBondContact O-N 3.39Å; N602-D604 PolarHBondContact O-N 2.85Å; N602-D604 VanDerWaalsContact O-N 3.09Å
603	D	38	Very low	37.5	Very low	124 Å²	124	121.9 Å²	121.9	66%	0.663	69%	0.687	S	S	*	*			trans	-82.5	61.1	167.6	-70.5	-24.1	0	0	0	109.9	R599 D605	R599-D603 PolarHBondContact O-N 3.4Å; D603-D605 VanDerWaalsContact C-N 3.25Å; D603-D605 PolarHBondContact O-N 3.06Å
604	D	35.1	Very low	36.8	Very low	145 Å²	145	121.3 Å²	121.3	78%	0.775	70%	0.701	S	S	*	*			trans	-79.4	81.8	156.6	-81	-37.4	0	0	0	107.2	N602 E606	N602-D604 PolarHBondContact O-N 2.85Å; N602-D604 VanDerWaalsContact O-N 3.09Å; D604-E606 VanDerWaalsContact C-N 3.28Å; D604-E606 PolarHBondContact O-N 2.84Å
605	D	34.3	Very low	36.2	Very low	148 Å²	148	121.6 Å²	121.6	79%	0.791	71%	0.71	S	S	*	*			trans	-66.1	95.3	161.3	-97.7	-31.5	0	0	0	108.1	D603 S607	D603-D605 VanDerWaalsContact C-N 3.25Å; D603-D605 PolarHBondContact O-N 3.06Å; D605-S607 PolarHBondContact O-N 3.39Å
606	E	28.9	Very low	35.4	Very low	193 Å²	193	126.8 Å²	126.8	90%	0.902	73%	0.731	S	S	*	*			trans	-56.9	67.5	156.3	-93.5	-105.6	136.6	0	0	110.3	D604	D604-E606 VanDerWaalsContact C-N 3.28Å; D604-E606 PolarHBondContact O-N 2.84Å
607	S	27.6	Very low	34.4	Very low	97 Å²	97	128 Å²	128	68%	0.678	74%	0.742	S	S	*	*			trans	-178.6	108.2	152.1	56.7	0	0	0	0	109.2	D605	D605-S607 PolarHBondContact O-N 3.39Å
608	L	29.4	Very low	33.7	Very low	166 Å²	166	129.1 Å²	129.1	87%	0.869	76%	0.757	S	S	*	*				168.4	69.5	129.6	-160.6	70.4	0	0	0	110.2	G610	L608-G610 PolarHBondContact O-N 3.38Å
609	F	27.3	Very low	32.4	Very low	231 Å²	231	136 Å²	136	100%	1.013	78%	0.782	S	S	*	*			trans	-81.8	98.3	152.3	-92.6	-85.5	0	0	0	107.9
610	G	30.1	Very low	31.6	Very low	62 Å²	62	133.9 Å²	133.9	64%	0.639	79%	0.79	S	S	*	*			trans	-139	117.9	168.1	0	0	0	0	0	109.1	L608	L608-G610 PolarHBondContact O-N 3.38Å
611	A	27.8	Very low	30.5	Very low	98 Å²	98	136.9 Å²	136.9	81%	0.81	80%	0.8	S	S	*	*			trans	-58.5	158.1	-170.1	0	0	0	0	0	115.2
612	P	28.9	Very low	29.6	Very low	136 Å²	136	140.8 Å²	140.8	88%	0.883	81%	0.812	S	S	*	*			trans	-87.1	136.8	-177.1	34.4	-30.5	0	0	0	111.8
613	A	28.7	Very low	28.5	Very low	100 Å²	100	144.1 Å²	144.1	83%	0.826	82%	0.821	S	S	*	*			trans	-142.7	116.5	165.5	0	0	0	0	0	111.5
614	A	27.9	Very low	27.8	Very low	100 Å²	100	144.1 Å²	144.1	83%	0.826	83%	0.825	S	S	*	*			trans	50.7	123.4	147.5	0	0	0	0	0	122.4
615	A	26.4	Very low	27.1	Very low	93 Å²	93	142.9 Å²	142.9	77%	0.769	82%	0.822	S	S	*	*			trans	59.9	116.5	140.5	0	0	0	0	0	119.5
616	D	28.9	Very low	26.7	Very low	155 Å²	155	142.1 Å²	142.1	83%	0.829	82%	0.823	S	S	*	*				-176	161.5	89	-126.7	-23.5	0	0	0	112.3
617	N	24.9	Very low	26.3	Very low	148 Å²	148	138.1 Å²	138.1	79%	0.791	81%	0.812	S	S	*	*			trans	-70.6	145.2	-176.6	-66.5	-50.3	0	0	0	114.3
618	S	30	Very low	26.1	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	82%	0.816	S	S	*	*				171.9	141.8	128.9	44.8	0	0	0	0	112.9
619	E	22.8	Very low	25.8	Very low	186 Å²	186	140.8 Å²	140.8	87%	0.869	81%	0.814	S	S	*	*			trans	-63.9	151	174.2	-65.2	169.2	138.8	0	0	112.3
620	T	29.6	Very low	25.6	Very low	138 Å²	138	134.6 Å²	134.6	85%	0.847	81%	0.805	S	S	*	*			trans	-170.2	127.3	137	21.7	0	0	0	0	111.8
621	E	22.8	Very low	25.3	Very low	192 Å²	192	139 Å²	139	90%	0.897	81%	0.813	S	S	*	*			trans	-56	134.2	163.6	-67.8	173.9	119	0	0	111.8
622	K	28	Very low	25.3	Very low	196 Å²	196	140.3 Å²	140.3	85%	0.852	81%	0.812	S	S	*	*			trans	-138.3	107.9	154.6	-80.2	-170.1	-179.5	171.5	0	112.2
623	K	20.5	Very low	25.2	Very low	197 Å²	197	139 Å²	139	86%	0.857	81%	0.807	S	S	*	*			trans	-69.5	128.9	159.6	-167	179.8	-172.5	179	0	108.3
624	V	24.5	Very low	25.3	Very low	124 Å²	124	139.9 Å²	139.9	75%	0.752	80%	0.804	S	S	*	*			trans	-123.5	116	169.7	177.9	0	0	0	0	109.7	V626	V624-V626 HydrophobicContact CG1-CG2 4.26Å
625	V	20.8	Very low	25.2	Very low	119 Å²	119	142.6 Å²	142.6	72%	0.721	80%	0.804	S	S	*	*			trans	-108.9	129.2	160.2	168.1	0	0	0	0	105.2
626	V	24.6	Very low	25.2	Very low	133 Å²	133	146.1 Å²	146.1	81%	0.806	80%	0.804	S	S	*	*			trans	-147.1	131.6	156.2	-176.3	0	0	0	0	110.4	V624	V624-V626 HydrophobicContact CG1-CG2 4.26Å
627	T	21.8	Very low	25.2	Very low	108 Å²	108	144.4 Å²	144.4	66%	0.663	80%	0.799	S	S	*	*			trans	-101.6	150.6	173.7	42.4	0	0	0	0	112.6
628	H	22.8	Very low	25.2	Very low	168 Å²	168	140.4 Å²	140.4	78%	0.778	79%	0.792	S	S	*	*			trans	62.6	124.4	151	-77.8	-71.3	0	0	0	122.3
629	N	23.1	Very low	25.2	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	79%	0.788	S	S	*	*				173.6	139	104.7	-94.3	-21.3	0	0	0	117
630	A	22.6	Very low	25.3	Very low	101 Å²	101	142.1 Å²	142.1	84%	0.835	79%	0.787	S	S	*	*			trans	58.4	136.8	135.9	0	0	0	0	0	125.2
631	I	24.7	Very low	25.2	Very low	155 Å²	155	139.7 Å²	139.7	80%	0.795	79%	0.789	S	S	*	*			trans	-79.7	162.8	175.3	-36.7	169.5	0	0	0	110.7
632	P	27.6	Very low	25.2	Very low	124 Å²	124	134.1 Å²	134.1	81%	0.805	78%	0.783	S	S	*	*				-154	162.8	83.9	34.8	-11.8	0	0	0	117.2
633	S	26.2	Very low	25	Very low	110 Å²	110	129.2 Å²	129.2	77%	0.769	78%	0.779	S	S	*	*			trans	-95	163.3	168	-48.2	0	0	0	0	112.8
634	P	31.5	Very low	25.1	Very low	117 Å²	117	127.4 Å²	127.4	76%	0.76	78%	0.778	S	S	*	*				-148.2	138	121.2	31.1	-11.6	0	0	0	115
635	L	24.9	Very low	25.2	Very low	158 Å²	158	129.7 Å²	129.7	83%	0.827	78%	0.781	S	S	*	*				51.7	134.1	99.2	-61.8	168.1	0	0	0	115.3
636	H	27.8	Very low	25.3	Very low	166 Å²	166	136.5 Å²	136.5	77%	0.769	79%	0.794	S	S	*	*			cis	-177.6	149.6	38	-142.6	35.9	0	0	0	114.1
637	V	27.8	Very low	25.3	Very low	120 Å²	120	138.2 Å²	138.2	73%	0.727	79%	0.793	S	S	*	*			trans	58.4	143.6	149.1	-150.8	0	0	0	0	122.2
638	G	25.4	Very low	25.3	Very low	63 Å²	63	138.8 Å²	138.8	65%	0.649	80%	0.802	S	S	*	*			cis	173.1	151.2	1.5	0	0	0	0	0	107.5
639	H	29.1	Very low	25.5	Very low	165 Å²	165	136.9 Å²	136.9	76%	0.764	80%	0.804	S	S	*	*				176.7	138.1	78.6	-113	-79.1	0	0	0	111.4
640	Q	24.9	Very low	25.4	Very low	179 Å²	179	133.8 Å²	133.8	84%	0.836	80%	0.795	S	S	*	*			trans	45.1	131.8	140.8	-91	170	5.8	0	0	126.9
641	G	27.1	Very low	25.6	Very low	86 Å²	86	137.2 Å²	137.2	89%	0.887	80%	0.798	S	S	*	*			trans	108.7	130	148.8	0	0	0	0	0	113.6
642	G	24.1	Very low	25.5	Very low	75 Å²	75	136.6 Å²	136.6	77%	0.773	80%	0.796	S	S	*	*			cis	165.2	140.8	2.5	0	0	0	0	0	107.2
643	A	23.2	Very low	25.4	Very low	93 Å²	93	137.3 Å²	137.3	77%	0.769	80%	0.798	S	S	*	*			trans	67.6	126.1	164.7	0	0	0	0	0	121.7
644	D	23.1	Very low	25.2	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	80%	0.799	S	S	*	*			trans	73.2	145.1	143.4	-64	-25.7	0	0	0	123.2
645	E	25.7	Very low	24.8	Very low	173 Å²	173	142.5 Å²	142.5	81%	0.808	81%	0.806	S	S	*	*			trans	87.7	104	161.9	-104.1	168.2	174.1	0	0	119.5	E647	E645-E647 PolarHBondContact O-N 2.87Å
646	W	23.8	Very low	24.6	Very low	261 Å²	261	144.1 Å²	144.1	99%	0.989	81%	0.807	S	S	*	*			trans	-63.8	103.5	155.9	-77.4	24.4	0	0	0	109.4
647	E	23.8	Very low	24.3	Very low	170 Å²	170	145.9 Å²	145.9	79%	0.794	81%	0.807	S	S	*	*			trans	-135.7	133.6	158.5	-75.7	-154.9	151.8	0	0	111.7	E645	E645-E647 PolarHBondContact O-N 2.87Å
648	S	21.5	Very low	24.1	Very low	120 Å²	120	141.7 Å²	141.7	84%	0.839	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-87.3	131.7	174.3	-44.3	0	0	0	0	108.4
649	P	27.2	Very low	24	Very low	127 Å²	127	145.9 Å²	145.9	83%	0.825	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-89.1	118.8	173.4	31.6	-27	0	0	0	110.5
650	S	22.3	Very low	23.7	Very low	88 Å²	88	141.4 Å²	141.4	62%	0.615	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-60.6	138.4	158	53.1	0	0	0	0	111.2
651	L	27	Very low	23.7	Very low	173 Å²	173	138.9 Å²	138.9	91%	0.906	76%	0.759	S	S	*	*			trans	-139.9	110.1	151.4	-99.8	167.3	0	0	0	110.1
652	D	21.7	Very low	23.6	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	75%	0.749	S	S	*	*			trans	-57.8	129.6	162.6	-114.3	-29.5	0	0	0	110.6
653	T	26.3	Very low	23.6	Very low	139 Å²	139	144.3 Å²	144.3	85%	0.853	75%	0.752	S	S	*	*			trans	-160.1	114.7	144	34.7	0	0	0	0	111
654	T	21.8	Very low	23.7	Very low	127 Å²	127	143 Å²	143	78%	0.779	75%	0.747	S	S	*	*			trans	-50.8	129.7	164.8	-59.7	0	0	0	0	112.5
655	F	22.7	Very low	23.8	Very low	210 Å²	210	141.1 Å²	141.1	92%	0.921	74%	0.741	S	S	*	*			trans	-158.5	141.4	150.3	-116.4	-82.3	0	0	0	114.6
656	K	21.4	Very low	23.9	Very low	191 Å²	191	138.4 Å²	138.4	83%	0.83	74%	0.737	S	S	*	*			trans	-76.5	134.9	170.3	-70.7	168.4	172.7	172.1	0	110.8
657	R	21	Very low	24	Very low	204 Å²	204	133.9 Å²	133.9	77%	0.77	73%	0.728	S	S	*	*				156.4	137.6	124.3	-97.7	179.7	168.7	145.8	-4.3	115.5
658	C	22.3	Very low	24.1	Very low	32 Å²	32	130.2 Å²	130.2	22%	0.216	73%	0.727	C	S	.	*			trans	15.7	129	130.9	-55.7	0	0	0	0	121.1	R689 T690	C658-R689 CarbonylContact C-O 3.55Å; C658-R689 WeakPolarHBondContact CA-O 3.46Å; C658-R689 WeakPolarHBondContact CB-O 2.88Å; C658-T690 HydrophobicContact CB-CG2 4.12Å; C658-T690 WeakPolarHBondContact SG-CG2 3.45Å
659	Y	24.4	Very low	24.4	Very low	150 Å²	150	127 Å²	127	59%	0.588	71%	0.713	S	S	*	*			trans	-174.7	-175.3	139.6	-74.6	-59	0	0	0	108.8	R689 A691	Y659-R689 WeakPolarHBondContact CA-O 3.43Å; Y659-R689 PolarHBondContact N-O 2.7Å; Y659-A691 WeakPolarHBondContact O-CB 3.44Å
660	S	22.2	Very low	24.3	Very low	72 Å²	72	126.1 Å²	126.1	50%	0.503	70%	0.701	S	S	.	*				-160.4	128.8	-71.4	165.2	0	0	0	0	107.8	R689	S660-R689 WeakPolarHBondContact OG-CD 3.37Å; S660-R689 PolarHBondContact OG-NH1 3.31Å
661	L	25.6	Very low	24.5	Very low	126 Å²	126	127 Å²	127	66%	0.66	71%	0.707	S	S	*	*			trans	-99.1	107.8	-178.1	-104.6	152.8	0	0	0	114.4	R689	L661-R689 PolarHBondContact O-NH1 3.28Å; L661-R689 PolarHBondContact O-NH2 3.42Å
662	S	23.8	Very low	24.7	Very low	98 Å²	98	128.4 Å²	128.4	69%	0.685	70%	0.7	S	S	*	*			trans	-65	143.2	168.6	47.9	0	0	0	0	111.8
663	Q	25.2	Very low	25.1	Very low	177 Å²	177	129.3 Å²	129.3	83%	0.827	70%	0.7	S	S	*	*			trans	-62.6	145.1	179.9	-69.1	173.4	-12.8	0	0	112
664	G	24.5	Very low	25	Very low	65 Å²	65	130.6 Å²	130.6	67%	0.67	70%	0.701	S	S	*	*			trans	-132	83.7	161.4	0	0	0	0	0	108.4	T666	G664-T666 PolarHBondContact O-N 2.75Å
665	T	26.3	Very low	25.2	Very low	119 Å²	119	135.3 Å²	135.3	73%	0.73	71%	0.705	S	S	*	*			trans	-67.9	113.7	169.5	23.2	0	0	0	0	109.2
666	T	28.3	Very low	25.5	Very low	117 Å²	117	134.4 Å²	134.4	72%	0.718	70%	0.703	S	S	*	*			trans	-81.3	125.8	164.5	29.9	0	0	0	0	109.7	G664 A668	G664-T666 PolarHBondContact O-N 2.75Å; T666-A668 PolarHBondContact O-N 3.26Å
667	M	24	Very low	25.6	Very low	165 Å²	165	136 Å²	136	81%	0.813	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	53	-174.3	-81.9	-82.7	-65.7	0	0	115.5	L670	M667-L670 HydrophobicContact SD-CD1 3.91Å
668	A	26.9	Very low	25.8	Very low	93 Å²	93	134.7 Å²	134.7	77%	0.769	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	-6.8	174.1	0	0	0	0	0	114.7	T666	T666-A668 PolarHBondContact O-N 3.26Å
669	G	27.6	Very low	26	Very low	52 Å²	52	139.4 Å²	139.4	54%	0.536	74%	0.739	S	S	.	*	S	Bend	trans	-103.1	4.2	178.6	0	0	0	0	0	115.8
670	L	26.1	Very low	25.9	Very low	109 Å²	109	137.6 Å²	137.6	57%	0.571	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	3.6	-171.4	-79.8	168.4	0	0	0	115.2	M667	M667-L670 HydrophobicContact SD-CD1 3.91Å
671	S	25.9	Very low	26.2	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-9	177	58.9	0	0	0	0	114.9
672	W	31.2	Very low	26.1	Very low	201 Å²	201	142.9 Å²	142.9	76%	0.761	78%	0.775	S	S	*	*	S	Bend	trans	-104	-9.7	-179.3	-95.8	85.1	0	0	0	115.1
673	Q	28.8	Very low	26.2	Very low	161 Å²	161	146.6 Å²	146.6	75%	0.752	78%	0.782	S	S	*	*	S	Bend	trans	-100	17.6	-170.7	-86.3	-177.2	-26.5	0	0	116.3
674	L	25.2	Very low	26.1	Very low	165 Å²	165	144.9 Å²	144.9	86%	0.864	78%	0.784	S	S	*	*	S	Bend	trans	-111.5	21.8	178.3	-111.4	132.7	0	0	0	115.2
675	R	25.7	Very low	26	Very low	227 Å²	227	148.8 Å²	148.8	86%	0.857	79%	0.789	S	S	*	*	S	Bend	trans	-137.7	60.8	170.6	-70.1	-172.3	-151.4	-129.7	0.7	113.8
676	Q	28.7	Very low	25.8	Very low	191 Å²	191	154.9 Å²	154.9	89%	0.893	80%	0.798	S	S	*	*	S	Bend	trans	-156.1	131.4	143.3	-83.9	-47.6	-35.5	0	0	108.4
677	R	24	Very low	25.6	Very low	224 Å²	224	156.2 Å²	156.2	85%	0.845	80%	0.8	S	S	*	*			trans	-87.5	146.8	-169.1	-86.8	-171.6	170.6	179.4	-1.9	112.5
678	H	24.3	Very low	25.6	Very low	177 Å²	177	154 Å²	154	82%	0.819	79%	0.792	S	S	*	*			trans	39.6	110.9	140.7	-66.8	-90.1	0	0	0	119.8
679	S	27	Very low	25.5	Very low	130 Å²	130	155 Å²	155	91%	0.909	78%	0.775	S	S	*	*				-164.6	155.1	125.8	-163.6	0	0	0	0	111.4
680	S	23.7	Very low	25.5	Very low	112 Å²	112	157.7 Å²	157.7	78%	0.783	78%	0.782	S	S	*	*			trans	-86.1	132.4	-161.5	152	0	0	0	0	113.9
681	A	28.3	Very low	25.6	Very low	98 Å²	98	156.8 Å²	156.8	81%	0.81	79%	0.79	S	S	*	*			trans	-158.7	110.4	144.3	0	0	0	0	0	110.4
682	K	23.1	Very low	25.7	Very low	211 Å²	211	156.2 Å²	156.2	92%	0.917	79%	0.792	S	S	*	*			trans	-81.7	110.8	166.4	-82.9	175.6	173.6	175.1	0	107.8
683	E	26	Very low	25.7	Very low	176 Å²	176	151.6 Å²	151.6	82%	0.822	78%	0.782	S	S	*	*			trans	-135.2	102.4	161.3	-132.7	171.5	-167.1	0	0	109.9	L685	E683-L685 PolarHBondContact O-N 2.96Å
684	T	21.9	Very low	25.9	Very low	141 Å²	141	154.2 Å²	154.2	87%	0.865	79%	0.785	S	S	*	*			trans	-78.7	105.1	175.7	34.9	0	0	0	0	109.9
685	L	24	Very low	26.1	Very low	147 Å²	147	150 Å²	150	77%	0.77	76%	0.763	S	S	*	*			trans	-119.8	109	164.9	-80.4	169.5	0	0	0	110.4	E683	E683-L685 PolarHBondContact O-N 2.96Å
686	R	21.3	Very low	26.3	Very low	248 Å²	248	145.3 Å²	145.3	94%	0.936	75%	0.745	S	S	*	*			trans	-71.3	125.1	168.7	-76.8	178.4	155.1	116.1	-5.1	109.1
687	L	24.5	Very low	26.4	Very low	145 Å²	145	137.9 Å²	137.9	76%	0.759	71%	0.714	S	S	*	*			trans	-136.9	127.6	165.7	-104.9	110.8	0	0	0	112.3
688	D	22.9	Very low	26.9	Very low	118 Å²	118	133.3 Å²	133.3	63%	0.631	70%	0.697	S	S	*	*			trans	-66.5	144.4	-177.8	-103.3	-29	0	0	0	114.1
689	R	24.7	Very low	27.5	Very low	113 Å²	113	126.9 Å²	126.9	43%	0.426	67%	0.672	S	S	.	*			trans	-105.3	142	-175.4	-84.7	141.8	152.3	-148.9	0.6	112.4	C658 Y659 S660 L661	C658-R689 CarbonylContact C-O 3.55Å; C658-R689 WeakPolarHBondContact CA-O 3.46Å; C658-R689 WeakPolarHBondContact CB-O 2.88Å; Y659-R689 WeakPolarHBondContact CA-O 3.43Å; Y659-R689 PolarHBondContact N-O 2.7Å; S660-R689 WeakPolarHBondContact OG-CD 3.37Å; S660-R689 PolarHBondContact OG-NH1 3.31Å; L661-R689 PolarHBondContact O-NH1 3.28Å; L661-R689 PolarHBondContact O-NH2 3.42Å
690	T	27.9	Very low	27.8	Very low	110 Å²	110	123.3 Å²	123.3	68%	0.675	66%	0.655	S	S	*	*			trans	-121.2	139.5	169.3	40.7	0	0	0	0	110.7	C658	C658-T690 HydrophobicContact CB-CG2 4.12Å; C658-T690 WeakPolarHBondContact SG-CG2 3.45Å
691	A	28.5	Very low	28.5	Very low	89 Å²	89	118.7 Å²	118.7	74%	0.736	62%	0.623	S	S	*	*			trans	-101.4	135.6	-172	0	0	0	0	0	112.6	Y659	Y659-A691 WeakPolarHBondContact O-CB 3.44Å
692	A	29	Very low	29	Very low	96 Å²	96	116.3 Å²	116.3	79%	0.793	60%	0.598	S	S	*	*			trans	-147.2	139.8	160.2	0	0	0	0	0	111.2
693	N	30.9	Very low	29.8	Very low	104 Å²	104	106.6 Å²	106.6	56%	0.556	56%	0.556	S	S	*	*			trans	89	127.2	168	-66.6	-6.4	0	0	0	120.9	Y532 L695	Y532-N693 PolarHBondContact O-ND2 3.01Å; N693-L695 PolarHBondContact O-N 3.44Å
694	R	31.8	Very low	30.5	Very low	217 Å²	217	99.3 Å²	99.3	82%	0.819	53%	0.525	S	S	*	.	S	Bend	trans	-89.7	35.8	-171.5	-77.8	-172.1	175	-159.6	-0.9	114.8
695	L	30	Very low	31.4	Very low	75 Å²	75	95.5 Å²	95.5	39%	0.393	50%	0.502	S	S	.	.	S	Bend	trans	-146	131.5	174.2	-75.2	160.5	0	0	0	106.9	Q534 N693	Q534-L695 PolarHBondContact NE2-O 3.44Å; N693-L695 PolarHBondContact O-N 3.44Å
696	R	29.9	Very low	32.2	Very low	129 Å²	129	90.1 Å²	90.1	49%	0.487	47%	0.472	S	S	.	.			trans	-94.6	109.4	-175.7	-163.4	179.1	-160.4	174.4	7.3	109.2	R698	R696-R698 PolarHBondContact O-N 3.46Å
697	C	31.1	Very low	33.2	Very low	35 Å²	35	80.1 Å²	80.1	24%	0.236	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-75.4	118.5	162.4	-66.8	0	0	0	0	107.9	Q534 S699	Q534-C697 PolarHBondContact NE2-SG 3.27Å; Q534-C697 VanDerWaalsContact NE2-SG 3.36Å; C697-S699 PolarHBondContact O-N 3.26Å
698	R	33.7	Very low	34	Very low	129 Å²	129	75.2 Å²	75.2	49%	0.487	41%	0.409	S	S	.	.			trans	-91.8	82.6	163.2	-87.4	-176.7	163.4	-170.4	-1	108	M449 R696	M449-R698 WeakPolarHBondContact CE-O 3.39Å; R696-R698 PolarHBondContact O-N 3.46Å
699	S	37.4	Very low	34.7	Very low	42 Å²	42	72.7 Å²	72.7	29%	0.294	40%	0.395	S	S	.	.			trans	-141.2	146.1	160.4	67.7	0	0	0	0	109.7	C697 S701	C697-S699 PolarHBondContact O-N 3.26Å; S699-S701 PolarHBondContact O-N 3.3Å; S699-S701 VanDerWaalsContact O-N 3.12Å; S699-S701 PolarHBondContact OG-OG 2.94Å
700	G	34	Very low	35.3	Very low	54 Å²	54	71.8 Å²	71.8	56%	0.557	39%	0.392	S	S	*	.			trans	-70.7	11.2	173.1	0	0	0	0	0	114.5	T702	G700-T702 PolarHBondContact O-N 3.3Å
701	S	37.8	Very low	35.7	Very low	15 Å²	15	68 Å²	68	11%	0.105	37%	0.367	C	S	.	.			trans	-91.4	80.2	-171.7	66	0	0	0	0	112	S500 S699 L703	S500-S701 WeakPolarHBondContact OG-CB 3.01Å; S699-S701 PolarHBondContact O-N 3.3Å; S699-S701 VanDerWaalsContact O-N 3.12Å; S699-S701 PolarHBondContact OG-OG 2.94Å; S701-L703 PolarHBondContact O-N 3.11Å
702	T	38.8	Very low	35.9	Very low	49 Å²	49	64.6 Å²	64.6	30%	0.301	34%	0.336	S	S	.	.	H	α-helix	trans	-58.6	-24.4	165.4	50.2	0	0	0	0	112.2	F508 G700 S704 T705 E706	F508-T702 WeakPolarHBondContact CB-OG1 3.37Å; F508-T702 VanDerWaalsContact CD2-OG1 3.27Å; F508-T702 WeakPolarHBondContact CD2-OG1 3.21Å; F508-T702 WeakPolarHBondContact CG-OG1 3.23Å; G700-T702 PolarHBondContact O-N 3.3Å; T702-S704 PolarHBondContact O-N 3.05Å; T702-T705 PolarHBondContact O-N 3.19Å; T702-T705 PolarHBondContact O-OG1 2.77Å; T702-E706 WeakPolarHBondContact O-CB 3.02Å; T702-E706 WeakPolarHBondContact O-CG 3.37Å; T702-E706 PolarHBondContact O-N 2.86Å
703	L	39.8	Very low	36.1	Very low	6 Å²	6	62.4 Å²	62.4	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-54.3	-40.7	178.5	-112.7	150	0	0	0	114.2	F508 V546 S701 R707 V1033	F508-L703 HydrophobicContact CD1-CG 4.35Å; F508-L703 HydrophobicContact CE1-CD1 3.82Å; F508-L703 HydrophobicContact CE1-CD2 4.34Å; F508-L703 HydrophobicContact CE1-CG 3.68Å; F508-L703 HydrophobicContact CE2-CD1 3.77Å; F508-L703 HydrophobicContact CE2-CG 4.22Å; F508-L703 HydrophobicContact CZ-CD1 3.23Å; F508-L703 HydrophobicContact CZ-CG 3.63Å; V546-L703 HydrophobicContact CG1-CD2 4.39Å; S701-L703 PolarHBondContact O-N 3.11Å; L703-R707 WeakPolarHBondContact O-CB 3.39Å; L703-R707 PolarHBondContact O-N 2.9Å; L703-V1033 HydrophobicContact CD1-CG1 4.12Å; L703-V1033 HydrophobicContact CD2-CG1 3.83Å
704	S	40.2	Very low	36	Very low	23 Å²	23	60.9 Å²	60.9	16%	0.161	32%	0.32	C	S	.	.	H	α-helix	trans	-68.1	-45	-178.6	172.9	0	0	0	0	112	T702 L708	T702-S704 PolarHBondContact O-N 3.05Å; S704-L708 PolarHBondContact O-N 3.23Å
705	T	40.4	Very low	35.9	Very low	62 Å²	62	54 Å²	54	38%	0.38	31%	0.305	S	S	.	.	H	α-helix	trans	-70.2	-40.2	176.4	38.2	0	0	0	0	112.7	Y532 T702 L709	Y532-T705 HydrophobicContact CD2-CG2 3.99Å; Y532-T705 HydrophobicContact CE2-CG2 3.76Å; T702-T705 PolarHBondContact O-N 3.19Å; T702-T705 PolarHBondContact O-OG1 2.77Å; T705-L709 WeakPolarHBondContact O-CG 3.5Å; T705-L709 PolarHBondContact O-N 3.28Å
706	E	41.7	Very low	35.8	Very low	33 Å²	33	58.7 Å²	58.7	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-69.7	-32.9	176	-78.6	-174.8	-177.8	0	0	112.6	F508 T702 L709 R710	F508-E706 WeakPolarHBondContact CB-OE1 3.35Å; F508-E706 WeakPolarHBondContact CB-OE2 3.37Å; F508-E706 WeakPolarHBondContact CD1-OE2 3.27Å; T702-E706 WeakPolarHBondContact O-CB 3.02Å; T702-E706 WeakPolarHBondContact O-CG 3.37Å; T702-E706 PolarHBondContact O-N 2.86Å; E706-L709 CarbonylContact O-C 3.58Å; E706-L709 WeakPolarHBondContact O-CB 3.11Å; E706-L709 PolarHBondContact O-N 3.2Å; E706-R710 WeakPolarHBondContact O-CG 3.22Å; E706-R710 PolarHBondContact O-N 2.65Å; E706-R710 IonicContact OE2-NH2 3.03Å
707	R	42.7	Very low	35.5	Very low	39 Å²	39	61.5 Å²	61.5	15%	0.147	34%	0.338	C	S	.	.	H	α-helix	trans	-68.5	-41.1	175.8	-178.5	142.5	166.6	-102.4	8.9	112.1	A545 V546 T547 L703 L709 R710 M711	A545-R707 PolarHBondContact O-NH1 3.38Å; A545-R707 PolarHBondContact O-NH2 3.22Å; V546-R707 WeakPolarHBondContact O-CD 3.4Å; V546-R707 PolarHBondContact O-NE 3.39Å; V546-R707 PolarHBondContact O-NH1 3.48Å; V546-R707 PolarHBondContact O-NH2 3.33Å; T547-R707 PolarHBondContact O-NH2 3.24Å; L703-R707 WeakPolarHBondContact O-CB 3.39Å; L703-R707 PolarHBondContact O-N 2.9Å; R707-L709 PolarHBondContact O-N 3.24Å; R707-R710 PolarHBondContact O-N 2.86Å; R707-M711 HydrophobicContact CG-CG 3.98Å; R707-M711 HydrophobicContact CG-SD 3.66Å; R707-M711 WeakPolarHBondContact O-CB 3.47Å; R707-M711 WeakPolarHBondContact O-CG 3.34Å; R707-M711 PolarHBondContact O-N 2.9Å
708	L	40.6	Very low	35.2	Very low	42 Å²	42	67.3 Å²	67.3	22%	0.22	37%	0.366	C	S	.	.	H	α-helix	trans	-57.1	-36.1	170.1	-108.4	153.5	0	0	0	111.7	H530 Y532 S704 N712	H530-L708 HydrophobicContact CB-CD2 3.87Å; Y532-L708 HydrophobicContact CD2-CD1 3.8Å; Y532-L708 HydrophobicContact CE2-CD1 4.36Å; S704-L708 PolarHBondContact O-N 3.23Å; L708-N712 PolarHBondContact O-ND2 3.21Å
709	L	38	Very low	34.8	Very low	65 Å²	65	66.8 Å²	66.8	34%	0.34	38%	0.38	S	S	.	.	H	α-helix	trans	-74.6	-39.8	174.5	-68.5	167.1	0	0	0	113.2	L515 T705 E706 R707	L515-L709 HydrophobicContact CD2-CB 4.17Å; L515-L709 HydrophobicContact CD2-CD1 4.24Å; L515-L709 HydrophobicContact CD2-CD2 4.42Å; T705-L709 WeakPolarHBondContact O-CG 3.5Å; T705-L709 PolarHBondContact O-N 3.28Å; E706-L709 CarbonylContact O-C 3.58Å; E706-L709 WeakPolarHBondContact O-CB 3.11Å; E706-L709 PolarHBondContact O-N 3.2Å; R707-L709 PolarHBondContact O-N 3.24Å
710	R	36.9	Very low	34.1	Very low	94 Å²	94	69.8 Å²	69.8	36%	0.355	40%	0.401	S	S	.	.	H	α-helix	trans	-69.9	-39	178.1	-76	-172.4	-179.7	127	3.1	112.8	E511 E706 R707 N712 A713 A714	E511-R710 IonicContact OE2-CZ 3.96Å; E511-R710 IonicContact OE2-NE 2.93Å; E511-R710 IonicContact OE2-NH2 3.12Å; E511-R710 PolarHBondContact OE2-NH2 3.24Å; E706-R710 WeakPolarHBondContact O-CG 3.22Å; E706-R710 PolarHBondContact O-N 2.65Å; E706-R710 IonicContact OE2-NH2 3.03Å; R707-R710 PolarHBondContact O-N 2.86Å; R710-N712 PolarHBondContact O-N 3.21Å; R710-A713 PolarHBondContact O-N 3.36Å; R710-A713 VanDerWaalsContact O-N 3.14Å; R710-A714 PolarHBondContact O-N 3.17Å
711	M	35.8	Very low	33.6	Very low	30 Å²	30	72.1 Å²	72.1	15%	0.148	41%	0.408	C	S	.	.	H	α-helix	trans	-64.4	-29.5	178.9	-70.1	175.8	82.6	0	0	112.5	R707 S715 P916 E917	R707-M711 HydrophobicContact CG-CG 3.98Å; R707-M711 HydrophobicContact CG-SD 3.66Å; R707-M711 WeakPolarHBondContact O-CB 3.47Å; R707-M711 WeakPolarHBondContact O-CG 3.34Å; R707-M711 PolarHBondContact O-N 2.9Å; M711-S715 PolarHBondContact O-N 3.34Å; M711-S715 PolarHBondContact O-OG 3.41Å; M711-P916 HydrophobicContact CE-CB 3.98Å; M711-P916 HydrophobicContact CE-CG 3.59Å; M711-P916 HydrophobicContact SD-CG 4.02Å; M711-E917 HydrophobicContact CE-CB 3.46Å; M711-E917 VanDerWaalsContact CE-CB 3.46Å
712	N	34.5	Very low	33.1	Very low	18 Å²	18	79.5 Å²	79.5	10%	0.096	45%	0.445	C	S	.	.	H	α-helix	trans	-70.9	-32.2	175.2	-68.8	-17.9	0	0	0	112.7	E526 H530 L708 R710	E526-N712 HydrophobicContact CB-CB 4.37Å; E526-N712 PolarHBondContact O-ND2 3.1Å; H530-N712 PolarHBondContact CD2-OD1 2.7Å; L708-N712 PolarHBondContact O-ND2 3.21Å; R710-N712 PolarHBondContact O-N 3.21Å
713	A	31.6	Very low	32.3	Very low	49 Å²	49	82.9 Å²	82.9	41%	0.405	47%	0.471	S	S	.	.	H	α-helix	trans	-75.5	-32.2	177.2	0	0	0	0	0	112.9	R710	R710-A713 PolarHBondContact O-N 3.36Å; R710-A713 VanDerWaalsContact O-N 3.14Å
714	A	29.7	Very low	31.8	Very low	72 Å²	72	87 Å²	87	60%	0.595	50%	0.5	S	S	*	.	H	α-helix	trans	-75.2	-28.3	-179.3	0	0	0	0	0	113.5	R710 F716 K717	R710-A714 PolarHBondContact O-N 3.17Å; A714-F716 PolarHBondContact O-N 2.85Å; A714-K717 PolarHBondContact O-N 3.02Å
715	S	29.5	Very low	31	Very low	74 Å²	74	90.7 Å²	90.7	52%	0.517	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-1.2	-179	-72.7	0	0	0	0	115.5	M711	M711-S715 PolarHBondContact O-N 3.34Å; M711-S715 PolarHBondContact O-OG 3.41Å
716	F	27.2	Very low	30.5	Very low	172 Å²	172	94.2 Å²	94.2	75%	0.754	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	10.7	-179.8	-86.6	-80.4	0	0	0	115.7	A714 L718	A714-F716 PolarHBondContact O-N 2.85Å; F716-L718 PolarHBondContact O-N 3.42Å
717	K	25	Very low	29.6	Very low	189 Å²	189	102 Å²	102	82%	0.822	58%	0.584	S	S	*	*			trans	-97.3	71.7	162.5	-80.7	-175.6	178.5	177.6	0	110.5	A714	A714-K717 PolarHBondContact O-N 3.02Å
718	L	23.7	Very low	28.8	Very low	157 Å²	157	111.7 Å²	111.7	82%	0.822	62%	0.621	S	S	*	*			trans	-70.4	123	150.6	-89.1	151.9	0	0	0	106.9	F716 S720	F716-L718 PolarHBondContact O-N 3.42Å; L718-S720 VanDerWaalsContact C-N 3.35Å; L718-S720 PolarHBondContact O-N 2.96Å
719	P	25.1	Very low	28	Very low	118 Å²	118	117.5 Å²	117.5	77%	0.766	65%	0.647	S	S	*	*			trans	-70.1	100.8	164.9	28.4	-27.9	0	0	0	107	S721	P719-S721 PolarHBondContact O-N 3.37Å
720	S	23.3	Very low	27.4	Very low	105 Å²	105	120.7 Å²	120.7	73%	0.734	67%	0.672	S	S	*	*			trans	-58	127.1	155.5	48.7	0	0	0	0	107.8	L718	L718-S720 VanDerWaalsContact C-N 3.35Å; L718-S720 PolarHBondContact O-N 2.96Å
721	S	24.3	Very low	26.8	Very low	103 Å²	103	121.6 Å²	121.6	72%	0.72	69%	0.687	S	S	*	*			trans	65.6	102.7	172.9	64.8	0	0	0	0	117.3	P719	P719-S721 PolarHBondContact O-N 3.37Å
722	L	26	Very low	26.2	Very low	169 Å²	169	125.3 Å²	125.3	89%	0.885	72%	0.717	S	S	*	*				-159	79.6	129.6	-98.1	163.9	0	0	0	108.1
723	S	23	Very low	25.7	Very low	120 Å²	120	132.2 Å²	132.2	84%	0.839	75%	0.753	S	S	*	*			trans	-94	97.9	162.9	55.4	0	0	0	0	108.4
724	S	27.8	Very low	25.3	Very low	92 Å²	92	135.5 Å²	135.5	64%	0.643	77%	0.771	S	S	*	*			trans	-168	110.8	152.7	55.2	0	0	0	0	110.9
725	S	24.8	Very low	25	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	78%	0.783	S	S	*	*			trans	47	106.9	144.8	65.5	0	0	0	0	119.4
726	T	28.3	Very low	24.8	Very low	135 Å²	135	144.8 Å²	144.8	83%	0.828	80%	0.803	S	S	*	*				179.6	128	96.9	26.9	0	0	0	0	109.2	R728	T726-R728 PolarHBondContact O-N 3.42Å
727	Q	24.1	Very low	24.6	Very low	197 Å²	197	144.8 Å²	144.8	92%	0.921	80%	0.798	S	S	*	*			trans	-56.7	124.7	165.4	-77.2	177.8	-33.1	0	0	109.2
728	R	24.8	Very low	24.6	Very low	243 Å²	243	143.3 Å²	143.3	92%	0.917	80%	0.799	S	S	*	*			trans	-126.1	119.7	148.4	-87.3	-173.3	176.6	168.7	-0.3	107.6	T726	T726-R728 PolarHBondContact O-N 3.42Å
729	E	24	Very low	24.6	Very low	164 Å²	164	141 Å²	141	77%	0.766	80%	0.803	S	S	*	*			trans	-51.8	147.1	169.8	-60.3	-179.3	139.9	0	0	110.8	T731	E729-T731 VanDerWaalsContact C-N 3.35Å; E729-T731 PolarHBondContact O-N 3.26Å; E729-T731 VanDerWaalsContact O-N 3.08Å
730	P	26.1	Very low	24.5	Very low	132 Å²	132	139.9 Å²	139.9	86%	0.857	80%	0.798	S	S	*	*			trans	-77.3	93.9	164	31.7	-26.9	0	0	0	107.4	S732	P730-S732 PolarHBondContact O-N 2.92Å
731	T	24.4	Very low	24.7	Very low	112 Å²	112	141 Å²	141	69%	0.687	80%	0.8	S	S	*	*			trans	-64.1	125.5	162.1	34	0	0	0	0	108.9	E729 L733	E729-T731 VanDerWaalsContact C-N 3.35Å; E729-T731 PolarHBondContact O-N 3.26Å; E729-T731 VanDerWaalsContact O-N 3.08Å; T731-L733 PolarHBondContact O-N 2.96Å
732	S	23.2	Very low	24.9	Very low	109 Å²	109	142.9 Å²	142.9	76%	0.762	80%	0.801	S	S	*	*			trans	-31.6	117.6	162.6	53.1	0	0	0	0	113.2	P730	P730-S732 PolarHBondContact O-N 2.92Å
733	L	24.1	Very low	24.7	Very low	163 Å²	163	139.5 Å²	139.5	85%	0.853	79%	0.792	S	S	*	*			trans	-107.3	76	159.7	-76.8	174.9	0	0	0	109	T731 L735	T731-L733 PolarHBondContact O-N 2.96Å; L733-L735 PolarHBondContact O-N 3.43Å
734	C	22	Very low	24.8	Very low	118 Å²	118	140 Å²	140	80%	0.797	79%	0.79	S	S	*	*			trans	-62.9	111.9	138.6	-86.2	0	0	0	0	106.1
735	L	23.7	Very low	24.8	Very low	158 Å²	158	140.5 Å²	140.5	83%	0.827	80%	0.8	S	S	*	*			trans	175.6	79.9	150.4	-94.7	175.9	0	0	0	108.8	L733	L733-L735 PolarHBondContact O-N 3.43Å
736	L	25.2	Very low	24.9	Very low	182 Å²	182	144.4 Å²	144.4	95%	0.953	81%	0.807	S	S	*	*			trans	-156.4	69.7	147.7	-97.5	173.6	0	0	0	107
737	R	23.8	Very low	24.9	Very low	173 Å²	173	145.5 Å²	145.5	65%	0.653	81%	0.807	S	S	*	*			trans	-140.2	101.5	165.9	-126.6	179.9	-179.1	-170.6	-6.6	105.7	E948	R737-E948 IonicContact NH2-OE2 3.31Å; R737-E948 PolarHBondContact NH2-OE2 3.19Å
738	N	24.6	Very low	25.2	Very low	157 Å²	157	141.2 Å²	141.2	84%	0.84	81%	0.806	S	S	*	*			trans	171.9	95.7	147.5	-84	-12.1	0	0	0	109.3
739	A	24.3	Very low	25.5	Very low	109 Å²	109	132.8 Å²	132.8	90%	0.901	80%	0.795	S	S	*	*			trans	-125.3	68.7	156.1	0	0	0	0	0	107.6
740	S	22.4	Very low	25.8	Very low	94 Å²	94	132 Å²	132	66%	0.657	80%	0.801	S	S	*	*			trans	-164.1	102.3	168.1	56.3	0	0	0	0	108
741	V	28.4	Very low	25.9	Very low	129 Å²	129	133.6 Å²	133.6	78%	0.782	80%	0.802	S	S	*	*			trans	-176.6	109	151.9	156	0	0	0	0	108.3
742	L	27.9	Very low	26.8	Very low	143 Å²	143	133.3 Å²	133.3	75%	0.749	80%	0.802	S	S	*	*			trans	50.3	116.7	134.1	-68.2	127.6	0	0	0	118.3
743	S	21.6	Very low	27.5	Very low	98 Å²	98	133.6 Å²	133.6	69%	0.685	80%	0.801	S	S	*	*				45.2	112.6	52.4	-178.9	0	0	0	0	114
744	T	24.7	Very low	27.9	Very low	129 Å²	129	134.9 Å²	134.9	79%	0.791	80%	0.803	S	S	*	*			trans	72.4	110.5	167.5	65.2	0	0	0	0	118.2
745	A	28.9	Very low	28.4	Very low	103 Å²	103	134.2 Å²	134.2	85%	0.851	80%	0.799	S	S	*	*				-173.3	115.1	115.8	0	0	0	0	0	110.2
746	E	27.3	Very low	28.6	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	80%	0.802	S	S	*	*			trans	-74.5	164.6	160.6	-67.3	173.8	131.4	0	0	110.7
747	D	27.3	Very low	28.9	Very low	158 Å²	158	138.2 Å²	138.2	85%	0.845	80%	0.799	S	S	*	*			trans	81.4	112.3	153.2	-77.4	-14.1	0	0	0	122.2
748	A	31.3	Very low	29	Very low	107 Å²	107	138.8 Å²	138.8	88%	0.884	81%	0.809	S	S	*	*				-179	136.8	109.2	0	0	0	0	0	108.9
749	G	30	Very low	29.4	Very low	67 Å²	67	136.3 Å²	136.3	69%	0.691	80%	0.801	S	S	*	*			cis	-160.3	162.5	0	0	0	0	0	0	106.9
750	T	31.3	Very low	29.5	Very low	147 Å²	147	140 Å²	140	90%	0.902	80%	0.8	S	S	*	*				-175.6	132.3	76.7	-52.8	0	0	0	0	107.4
751	L	28.4	Very low	29.6	Very low	165 Å²	165	139.9 Å²	139.9	86%	0.864	80%	0.804	S	S	*	*			trans	-81.8	161.2	-179.2	-83.9	164.3	0	0	0	113.8
752	P	42.7	Very low	29.5	Very low	107 Å²	107	139.4 Å²	139.4	70%	0.695	81%	0.806	S	S	*	*			trans	-103.8	-158.3	-168.2	46.3	-35.5	0	0	0	110.9
753	P	38.2	Very low	29.5	Very low	114 Å²	114	138.7 Å²	138.7	74%	0.74	81%	0.811	S	S	*	*				-158.5	174.3	56.4	38.8	-14	0	0	0	118.4
754	Q	31.7	Very low	29.7	Very low	191 Å²	191	139.2 Å²	139.2	89%	0.893	82%	0.815	S	S	*	*			trans	155.9	138.9	149.2	-88.1	177	31.5	0	0	107.3
755	S	32.7	Very low	30.2	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	81%	0.813	S	S	*	*			cis	-173.5	145.2	7.7	46.8	0	0	0	0	109
756	R	28.7	Very low	30	Very low	234 Å²	234	144.8 Å²	144.8	88%	0.883	82%	0.816	S	S	*	*			trans	42.1	115.8	146	-98.9	-179.8	176.3	174.2	-0.6	121.4
757	Q	30.7	Very low	30.3	Very low	191 Å²	191	141.9 Å²	141.9	89%	0.893	81%	0.813	S	S	*	*				161	135.1	112.8	-91.3	176.1	-7.2	0	0	112.9
758	Q	25.1	Very low	30.3	Very low	184 Å²	184	140.2 Å²	140.2	86%	0.86	81%	0.814	S	S	*	*			trans	-74.1	176.8	159.4	-81.6	-177.5	-23.1	0	0	110.5
759	P	33.9	Very low	30.2	Very low	105 Å²	105	143.7 Å²	143.7	68%	0.682	82%	0.817	S	S	*	*			cis	-141.7	176	8	28.6	-3.3	0	0	0	117.5
760	Q	25.5	Very low	30.1	Very low	188 Å²	188	152.1 Å²	152.1	88%	0.879	83%	0.828	S	S	*	*			trans	63	136.8	145.9	-78.5	-178.5	-9	0	0	123.8
761	A	26.1	Very low	29.9	Very low	90 Å²	90	150 Å²	150	74%	0.744	82%	0.819	S	S	*	*			trans	99.2	111.3	147.5	0	0	0	0	0	120.8
762	C	24.6	Very low	29.9	Very low	120 Å²	120	146.6 Å²	146.6	81%	0.811	81%	0.809	S	S	*	*			trans	87.6	129.7	132.5	-66.5	0	0	0	0	123.1
763	C	28.1	Very low	29.2	Very low	128 Å²	128	147.5 Å²	147.5	87%	0.865	81%	0.812	S	S	*	*			trans	101	102.9	146.7	-63.7	0	0	0	0	120.4
764	S	26.6	Very low	28.9	Very low	108 Å²	108	149.8 Å²	149.8	76%	0.755	82%	0.816	S	S	*	*			trans	-72.2	175.6	154	77.7	0	0	0	0	111.6
765	P	35.8	Very low	28.8	Very low	116 Å²	116	148.9 Å²	148.9	75%	0.753	81%	0.812	S	S	*	*				-154.9	153.5	65.6	36.2	-13.1	0	0	0	119
766	Y	24.4	Very low	28.5	Very low	233 Å²	233	153 Å²	153	91%	0.914	82%	0.82	S	S	*	*			trans	-109.9	142.9	152.3	-98	-88.1	0	0	0	108.1
767	P	32.8	Very low	28.7	Very low	123 Å²	123	148.6 Å²	148.6	80%	0.799	81%	0.814	S	S	*	*			trans	-100.3	127.3	171.3	33.8	-24.6	0	0	0	111.9
768	S	27.7	Very low	28.8	Very low	123 Å²	123	144.7 Å²	144.7	86%	0.86	81%	0.807	S	S	*	*			trans	-129.2	128.3	150.1	68.5	0	0	0	0	107.5
769	L	29.8	Very low	29.3	Very low	181 Å²	181	141.7 Å²	141.7	95%	0.948	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-96.4	130.1	-179.7	-89.9	163.9	0	0	0	110.3
770	R	26.4	Very low	29.8	Very low	244 Å²	244	142 Å²	142	92%	0.921	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-93.7	157.8	178.4	-113.5	-175	-178.9	-176.9	0.3	111.6
771	S	27.3	Very low	30.1	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.2	140.7	163	-178.2	0	0	0	0	113
772	S	28.9	Very low	30.5	Very low	94 Å²	94	141.1 Å²	141.1	66%	0.657	80%	0.803	S	S	*	*			trans	62.8	120	139.2	59.9	0	0	0	0	124.3
773	V	29.1	Very low	30.9	Very low	125 Å²	125	141.9 Å²	141.9	76%	0.758	80%	0.798	S	S	*	*				82.4	111.9	119.9	176.8	0	0	0	0	121.2
774	I	31.2	Very low	31.2	Very low	163 Å²	163	142.8 Å²	142.8	84%	0.836	80%	0.795	S	S	*	*			trans	63.8	125.1	136.7	-56.2	173.7	0	0	0	120.9
775	Q	29.6	Very low	31.5	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.804	80%	0.795	S	S	*	*			trans	-68.7	140.8	174.2	-81.9	168.5	-64.5	0	0	114.4
776	E	25.5	Very low	31.3	Very low	188 Å²	188	141.2 Å²	141.2	88%	0.879	80%	0.799	S	S	*	*			trans	-113.5	147.7	146.2	-77.6	-169.1	156.2	0	0	109.1
777	N	33.4	Very low	31.8	Very low	142 Å²	142	133.9 Å²	133.9	76%	0.759	79%	0.786	S	S	*	*			trans	-122	110	163.6	-91.1	-22.2	0	0	0	109.4
778	S	32.1	Very low	31.5	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	79%	0.793	S	S	*	*			trans	58.6	129.6	132.8	-49.4	0	0	0	0	122.9
779	P	36.5	Very low	31.6	Very low	122 Å²	122	137.4 Å²	137.4	79%	0.792	79%	0.79	S	S	*	*			trans	-111.9	-153.4	161.4	45.5	-33.1	0	0	0	109.8
780	P	45.3	Very low	31.6	Very low	112 Å²	112	134.6 Å²	134.6	73%	0.727	79%	0.786	S	S	*	*			cis	-135.2	179.9	-17.8	36.1	-16.7	0	0	0	114.4
781	D	31.7	Very low	32.3	Very low	162 Å²	162	128.6 Å²	128.6	87%	0.866	78%	0.778	S	S	*	*			trans	-150.4	145.9	146.1	-112.1	-27.2	0	0	0	113.6
782	S	32.7	Very low	32.4	Very low	97 Å²	97	134.1 Å²	134.1	68%	0.678	79%	0.789	S	S	*	*			trans	-39.1	153.7	-174.9	52	0	0	0	0	118.5
783	N	33.1	Very low	32.3	Very low	135 Å²	135	139.2 Å²	139.2	72%	0.722	80%	0.8	S	S	*	*				175.4	160.7	62.2	-137.2	11.7	0	0	0	111.5
784	D	35.2	Very low	32.4	Very low	147 Å²	147	142.3 Å²	142.3	79%	0.786	80%	0.803	S	S	*	*			trans	78.8	114	156.6	-62.2	-29.4	0	0	0	123.2
785	G	32	Very low	32.3	Very low	74 Å²	74	142.4 Å²	142.4	76%	0.763	80%	0.8	S	S	*	*				122.3	61.1	109.4	0	0	0	0	0	122.1
786	S	32.8	Very low	32.3	Very low	118 Å²	118	139.6 Å²	139.6	83%	0.825	79%	0.794	S	S	*	*				46.9	117.1	129.1	176.7	0	0	0	0	123.8
787	A	33.9	Very low	32.3	Very low	79 Å²	79	137.3 Å²	137.3	65%	0.653	79%	0.794	S	S	*	*				89.2	117	122.9	0	0	0	0	0	124.7
788	Y	28.1	Very low	32.2	Very low	243 Å²	243	133.9 Å²	133.9	95%	0.953	79%	0.792	S	S	*	*			trans	57.9	127.9	132.1	-77.7	-85.8	0	0	0	123.6
789	G	29.2	Very low	32.1	Very low	76 Å²	76	139 Å²	139	78%	0.784	80%	0.795	S	S	*	*			trans	146.6	107.9	144.4	0	0	0	0	0	117.2
790	S	28.6	Very low	31.7	Very low	123 Å²	123	139.4 Å²	139.4	86%	0.86	79%	0.786	S	S	*	*			trans	-78.1	-168.5	166.5	-50.8	0	0	0	0	112.1
791	P	41.8	Very low	31.1	Very low	117 Å²	117	143.7 Å²	143.7	76%	0.76	79%	0.793	S	S	*	*				-128.6	176.4	-64.6	34.8	-17.6	0	0	0	112.5
792	K	30.2	Very low	31	Very low	218 Å²	218	142.8 Å²	142.8	95%	0.948	79%	0.788	S	S	*	*			trans	-173.1	148.2	148	-107.8	166.8	-171.5	179.5	0	115.6
793	K	26.7	Very low	31.1	Very low	202 Å²	202	147.3 Å²	147.3	88%	0.878	80%	0.799	S	S	*	*			trans	-71.7	157.1	179.9	-69.3	173	168.4	-179.4	0	115.7
794	K	31	Very low	31	Very low	190 Å²	190	147.8 Å²	147.8	83%	0.826	80%	0.801	S	S	*	*			trans	174.5	116.5	131.2	-99.4	179.8	174.6	-174.1	0	109.3
795	E	28.4	Very low	31	Very low	164 Å²	164	148.9 Å²	148.9	77%	0.766	81%	0.807	S	S	*	*				75.1	114.2	85.9	-87.5	-177.1	167.5	0	0	117.2
796	T	29.7	Very low	30.8	Very low	113 Å²	113	153.1 Å²	153.1	69%	0.693	81%	0.812	S	S	*	*			trans	79.4	113.9	132.3	54.9	0	0	0	0	124.5
797	T	26.6	Very low	30.6	Very low	141 Å²	141	151 Å²	151	87%	0.865	81%	0.809	S	S	*	*				78.7	131.5	122.1	60.8	0	0	0	0	124.5
798	G	30.1	Very low	30.4	Very low	70 Å²	70	150.7 Å²	150.7	72%	0.722	81%	0.814	S	S	*	*			trans	150.4	99.7	154.4	0	0	0	0	0	111.4
799	R	30	Very low	30.6	Very low	217 Å²	217	147.6 Å²	147.6	82%	0.819	81%	0.812	S	S	*	*				62.3	127	73.6	-157.4	175.8	-178.1	158.1	11.1	111
800	E	28.4	Very low	30.5	Very low	129 Å²	129	153.8 Å²	153.8	60%	0.603	82%	0.818	S	S	*	*			cis	-172.1	154.8	14.3	-124	163.1	-169.5	0	0	107.5
801	K	33.6	Very low	30.5	Very low	203 Å²	203	153 Å²	153	88%	0.883	81%	0.813	S	S	*	*				175.5	141.6	118.7	-95.4	-178.8	-178.2	-175.9	0	113.1
802	N	28	Very low	29.9	Very low	142 Å²	142	153.2 Å²	153.2	76%	0.759	81%	0.811	S	S	*	*			trans	-75.2	160.9	-168.2	-59.7	-28.5	0	0	0	114.7
803	E	35.3	Very low	29.8	Very low	193 Å²	193	148.6 Å²	148.6	90%	0.902	80%	0.801	S	S	*	*				-164.5	150.7	120.8	-106.2	172.9	-163.7	0	0	111.7
804	D	31.7	Very low	30	Very low	144 Å²	144	143.4 Å²	143.4	77%	0.77	79%	0.79	S	S	*	*			trans	-78.6	149.7	-159.6	-53.1	-66.9	0	0	0	115.3
805	N	34.1	Very low	29.7	Very low	171 Å²	171	142 Å²	142	91%	0.914	79%	0.792	S	S	*	*				-172	148.7	114.4	-117	-25.4	0	0	0	113.7
806	D	29.4	Very low	29.7	Very low	162 Å²	162	142.8 Å²	142.8	87%	0.866	80%	0.796	S	S	*	*			trans	-99.8	159.8	-158.4	-153	-3.4	0	0	0	113.1
807	G	28.9	Very low	29.3	Very low	75 Å²	75	145.7 Å²	145.7	77%	0.773	80%	0.801	S	S	*	*			trans	102.2	94.4	154.1	0	0	0	0	0	119.3
808	G	28.7	Very low	29.4	Very low	72 Å²	72	145 Å²	145	74%	0.742	80%	0.799	S	S	*	*			trans	-178.1	90	164.9	0	0	0	0	0	116.1
809	L	31.5	Very low	29.1	Very low	177 Å²	177	146.3 Å²	146.3	93%	0.927	80%	0.797	S	S	*	*			trans	42.3	106.4	159.6	-78.9	92.3	0	0	0	120	S811	L809-S811 PolarHBondContact O-N 3.33Å
810	K	28.2	Very low	28.9	Very low	206 Å²	206	143.1 Å²	143.1	90%	0.896	80%	0.796	S	S	*	*			trans	-69.7	112.3	158.7	-70.9	178.1	176.3	176.5	0	110.7
811	S	29.4	Very low	28.8	Very low	108 Å²	108	145 Å²	145	76%	0.755	81%	0.81	S	S	*	*			trans	-97.4	117	146.4	57.9	0	0	0	0	107.8	L809	L809-S811 PolarHBondContact O-N 3.33Å
812	V	28.8	Very low	28.5	Very low	121 Å²	121	142.7 Å²	142.7	73%	0.733	81%	0.807	S	S	*	*			trans	-89.7	100.8	169.9	174.2	0	0	0	0	106.1
813	V	28.5	Very low	28.4	Very low	120 Å²	120	145.7 Å²	145.7	73%	0.727	81%	0.809	S	S	*	*			trans	-104.7	101.4	157.4	176.3	0	0	0	0	105.1	D815	V813-D815 PolarHBondContact O-N 2.94Å
814	S	29.1	Very low	28.2	Very low	93 Å²	93	140.7 Å²	140.7	65%	0.65	79%	0.791	S	S	*	*			trans	-74.7	112.7	164.8	-79.8	0	0	0	0	108	Q816	S814-Q816 PolarHBondContact O-N 2.96Å; S814-Q816 VanDerWaalsContact O-N 3.13Å
815	D	25.2	Very low	28.1	Very low	161 Å²	161	137.9 Å²	137.9	86%	0.861	78%	0.776	S	S	*	*			trans	-62.2	104.8	162	-81.4	-36.3	0	0	0	109.2	V813	V813-D815 PolarHBondContact O-N 2.94Å
816	Q	28.4	Very low	28	Very low	181 Å²	181	133.3 Å²	133.3	85%	0.846	76%	0.756	S	S	*	*			trans	-96.9	108.5	161.7	-80.1	-176.8	-8.3	0	0	108.9	S814	S814-Q816 PolarHBondContact O-N 2.96Å; S814-Q816 VanDerWaalsContact O-N 3.13Å
817	H	22.6	Very low	28.3	Very low	174 Å²	174	129.9 Å²	129.9	81%	0.806	75%	0.745	S	S	*	*			trans	-48.1	125.8	157.8	-113.4	-86.9	0	0	0	110.8	S819	H817-S819 PolarHBondContact O-N 3.13Å
818	P	27.8	Very low	29.1	Very low	126 Å²	126	129.5 Å²	129.5	82%	0.818	73%	0.73	S	S	*	*			trans	-95	88.5	160.2	32.8	-22.9	0	0	0	108.1	D820	P818-D820 PolarHBondContact O-N 2.91Å
819	S	24.1	Very low	29.9	Very low	97 Å²	97	127.3 Å²	127.3	68%	0.678	70%	0.701	S	S	*	*			trans	-83	93.4	159.1	46.6	0	0	0	0	108.1	H817	H817-S819 PolarHBondContact O-N 3.13Å
820	D	25.7	Very low	31	Very low	150 Å²	150	120.6 Å²	120.6	80%	0.802	67%	0.667	S	S	*	*			trans	-155.8	66.6	158.5	-91.9	-25.2	0	0	0	108.8	P818 L822	P818-D820 PolarHBondContact O-N 2.91Å; D820-L822 PolarHBondContact O-N 3.43Å
821	N	25.8	Very low	32.1	Very low	170 Å²	170	112.5 Å²	112.5	91%	0.909	63%	0.632	S	S	*	*			trans	-84.2	88.7	161.8	-86.8	-21.1	0	0	0	108.1	Y823	N821-Y823 PolarHBondContact O-N 2.95Å; N821-Y823 VanDerWaalsContact O-N 3.11Å
822	L	27.2	Very low	33.2	Very low	154 Å²	154	108.9 Å²	108.9	81%	0.806	60%	0.604	S	S	*	*			trans	-65.1	104.2	155.8	-99.9	134.5	0	0	0	107.3	D820 V824	D820-L822 PolarHBondContact O-N 3.43Å; L822-V824 PolarHBondContact O-N 2.91Å
823	Y	26.7	Very low	34.1	Very low	204 Å²	204	106.7 Å²	106.7	80%	0.8	59%	0.588	S	S	*	*			trans	-62.9	96.2	169.3	-176.8	-95.4	0	0	0	108.4	N821	N821-Y823 PolarHBondContact O-N 2.95Å; N821-Y823 VanDerWaalsContact O-N 3.11Å
824	V	30.6	Very low	35.2	Very low	89 Å²	89	102.4 Å²	102.4	54%	0.539	56%	0.562	S	S	.	*			trans	-85.3	120.8	168.9	-179.5	0	0	0	0	107	L822 P826	L822-V824 PolarHBondContact O-N 2.91Å; V824-P826 WeakPolarHBondContact O-CD 3.46Å
825	D	28.9	Very low	36.1	Very low	85 Å²	85	99.6 Å²	99.6	46%	0.455	54%	0.538	S	S	.	.			trans	-54.5	119.5	174.3	-171	-27.5	0	0	0	109.2	S827 S828	D825-S827 PolarHBondContact O-N 3.44Å; D825-S827 WeakPolarHBondContact OD1-CB 3.32Å; D825-S827 PolarHBondContact OD1-N 3.3Å; D825-S827 VanDerWaalsContact OD1-N 3.1Å; D825-S827 PolarHBondContact OD1-OG 3.12Å; D825-S827 PolarHBondContact OD2-OG 3.12Å; D825-S828 PolarHBondContact O-N 3.2Å; D825-S828 PolarHBondContact O-OG 2.97Å
826	P	33.5	Very low	36.9	Very low	74 Å²	74	94 Å²	94	48%	0.481	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-56.9	-19	-177.3	-24.5	32.8	0	0	0	114	Q470 V824	Q470-P826 PolarHBondContact NE2-O 3.31Å; V824-P826 WeakPolarHBondContact O-CD 3.46Å
827	S	36	Very low	37.2	Very low	91 Å²	91	88 Å²	88	64%	0.636	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-79.4	-13.2	-177.5	65	0	0	0	0	114.9	D825	D825-S827 PolarHBondContact O-N 3.44Å; D825-S827 WeakPolarHBondContact OD1-CB 3.32Å; D825-S827 PolarHBondContact OD1-N 3.3Å; D825-S827 VanDerWaalsContact OD1-N 3.1Å; D825-S827 PolarHBondContact OD1-OG 3.12Å; D825-S827 PolarHBondContact OD2-OG 3.12Å
828	S	45.5	Very low	37.8	Very low	67 Å²	67	81.6 Å²	81.6	47%	0.469	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-102.2	2.5	-169.9	76.4	0	0	0	0	116.3	D825 T830	D825-S828 PolarHBondContact O-N 3.2Å; D825-S828 PolarHBondContact O-OG 2.97Å; S828-T830 PolarHBondContact O-N 3.03Å
829	I	45.9	Very low	38	Very low	26 Å²	26	82.4 Å²	82.4	13%	0.133	46%	0.463	C	S	.	.			trans	-77.2	110	-172.6	-56.8	172.9	0	0	0	110.3	K567 D833 V834	K567-I829 WeakPolarHBondContact CE-O 3.33Å; K567-I829 PolarHBondContact NZ-O 2.64Å; I829-D833 HydrophobicContact CG2-CB 4.1Å; I829-V834 HydrophobicContact CG2-CG2 3.74Å
830	T	53.1	Low	38.3	Very low	35 Å²	35	81.2 Å²	81.2	22%	0.215	45%	0.452	C	S	.	.			trans	-82.7	161.4	173	68.3	0	0	0	0	111	S828 D832 D833 V834	S828-T830 PolarHBondContact O-N 3.03Å; T830-D832 PolarHBondContact O-N 3.12Å; T830-D833 WeakPolarHBondContact CB-OD2 3.32Å; T830-D833 PolarHBondContact N-OD2 3.06Å; T830-D833 WeakPolarHBondContact O-CB 3.49Å; T830-D833 PolarHBondContact O-N 3.29Å; T830-D833 VanDerWaalsContact O-N 3.08Å; T830-D833 PolarHBondContact OG1-N 3.41Å; T830-D833 PolarHBondContact OG1-OD2 3.31Å; T830-V834 PolarHBondContact O-N 2.78Å
831	Y	51.7	Low	38.5	Very low	37 Å²	37	80.8 Å²	80.8	15%	0.145	45%	0.445	C	S	.	.	H	α-helix	trans	-56.9	-38.5	175.8	176.5	-99.6	0	0	0	111.8	F440 S441 M566 V834 F835	F440-Y831 HydrophobicContact CD2-CE2 4.21Å; F440-Y831 HydrophobicContact CE1-CE2 4.16Å; F440-Y831 HydrophobicContact CE2-CD2 4.27Å; F440-Y831 AromaticContact CE2-CE2 3.38Å; F440-Y831 HydrophobicContact CE2-CE2 3.38Å; F440-Y831 AromaticContact CE2-CZ 3.82Å; F440-Y831 HydrophobicContact CZ-CD2 4.35Å; F440-Y831 AromaticContact CZ-CE2 3.34Å; F440-Y831 HydrophobicContact CZ-CE2 3.34Å; F440-Y831 AromaticContact CZ-CZ 3.95Å; S441-Y831 PolarHBondContact N-OH 2.72Å; M566-Y831 HydrophobicContact CB-CD2 4.44Å; M566-Y831 HydrophobicContact CE-CD1 3.81Å; M566-Y831 HydrophobicContact CE-CD2 3.83Å; M566-Y831 HydrophobicContact CE-CE1 3.75Å; M566-Y831 HydrophobicContact CE-CE2 3.81Å; M566-Y831 HydrophobicContact CE-CG 3.82Å; Y831-V834 WeakPolarHBondContact O-CB 3.5Å; Y831-V834 PolarHBondContact O-N 3.05Å; Y831-F835 HydrophobicContact CD2-CE2 4.49Å; Y831-F835 HydrophobicContact CE2-CD2 4.03Å; Y831-F835 AromaticContact CE2-CE2 3.81Å; Y831-F835 HydrophobicContact CE2-CE2 3.81Å
832	D	51.7	Low	38.8	Very low	31 Å²	31	76.8 Å²	76.8	17%	0.166	42%	0.421	C	S	.	.	H	α-helix	trans	-68.3	-34.8	176.9	-72.6	-11.3	0	0	0	110.9	F102 T830 V834 F835 A836	F102-D832 HydrophobicContact CD1-CB 3.87Å; F102-D832 HydrophobicContact CE1-CB 4.44Å; F102-D832 VanDerWaalsContact O-OD2 3.04Å; T830-D832 PolarHBondContact O-N 3.12Å; D832-V834 PolarHBondContact O-N 2.98Å; D832-F835 CarbonylContact O-C 3.53Å; D832-F835 PolarHBondContact O-N 3.26Å; D832-F835 VanDerWaalsContact O-N 3.15Å; D832-A836 WeakPolarHBondContact O-CA 3.45Å; D832-A836 WeakPolarHBondContact O-CB 3.45Å; D832-A836 PolarHBondContact O-N 3.42Å
833	D	49.2	Very low	38.9	Very low	75 Å²	75	74.6 Å²	74.6	40%	0.401	41%	0.409	S	S	.	.	H	α-helix	trans	-63.5	-29.5	174.2	-62.7	-44.4	0	0	0	113.3	I829 T830 F835	I829-D833 HydrophobicContact CG2-CB 4.1Å; T830-D833 WeakPolarHBondContact CB-OD2 3.32Å; T830-D833 PolarHBondContact N-OD2 3.06Å; T830-D833 WeakPolarHBondContact O-CB 3.49Å; T830-D833 PolarHBondContact O-N 3.29Å; T830-D833 VanDerWaalsContact O-N 3.08Å; T830-D833 PolarHBondContact OG1-N 3.41Å; T830-D833 PolarHBondContact OG1-OD2 3.31Å; D833-F835 VanDerWaalsContact C-N 3.28Å; D833-F835 PolarHBondContact O-N 3.12Å
834	V	50.3	Low	39.1	Very low	30 Å²	30	72 Å²	72	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-67.1	-30.8	176.8	169.3	0	0	0	0	111.8	T463 I829 T830 Y831 D832	T463-V834 HydrophobicContact CG2-CB 4.12Å; T463-V834 HydrophobicContact CG2-CG1 3.27Å; T463-V834 HydrophobicContact CG2-CG2 3.79Å; I829-V834 HydrophobicContact CG2-CG2 3.74Å; T830-V834 PolarHBondContact O-N 2.78Å; Y831-V834 WeakPolarHBondContact O-CB 3.5Å; Y831-V834 PolarHBondContact O-N 3.05Å; D832-V834 PolarHBondContact O-N 2.98Å
835	F	48.3	Very low	39.1	Very low	35 Å²	35	75.8 Å²	75.8	15%	0.154	41%	0.414	C	S	.	.	H	α-helix	trans	-122.9	-6.3	-173	-66.5	-69.9	0	0	0	114.9	Y442 L460 F570 Y831 D832 D833 G837 S838	Y442-F835 AromaticContact CD2-CD1 3.5Å; Y442-F835 HydrophobicContact CD2-CD1 3.5Å; Y442-F835 VanDerWaalsContact CD2-CD1 3.5Å; Y442-F835 AromaticContact CD2-CE1 3.69Å; Y442-F835 HydrophobicContact CD2-CE1 3.69Å; Y442-F835 AromaticContact CD2-CG 3.95Å; Y442-F835 HydrophobicContact CD2-CG 3.95Å; Y442-F835 HydrophobicContact CD2-CZ 4.29Å; Y442-F835 HydrophobicContact CE2-CB 4.49Å; Y442-F835 HydrophobicContact CE2-CD1 4Å; Y442-F835 HydrophobicContact CE2-CG 4.37Å; Y442-F835 HydrophobicContact CG-CD1 4.25Å; Y442-F835 HydrophobicContact CG-CE1 4.01Å; L460-F835 HydrophobicContact CD1-CE1 4.39Å; L460-F835 HydrophobicContact CD1-CZ 4.38Å; F570-F835 HydrophobicContact CE2-CE2 4.16Å; F570-F835 AromaticContact CE2-CZ 3.78Å; F570-F835 HydrophobicContact CE2-CZ 3.78Å; F570-F835 HydrophobicContact CZ-CZ 4.43Å; Y831-F835 HydrophobicContact CD2-CE2 4.49Å; Y831-F835 HydrophobicContact CE2-CD2 4.03Å; Y831-F835 AromaticContact CE2-CE2 3.81Å; Y831-F835 HydrophobicContact CE2-CE2 3.81Å; D832-F835 CarbonylContact O-C 3.53Å; D832-F835 PolarHBondContact O-N 3.26Å; D832-F835 VanDerWaalsContact O-N 3.15Å; D833-F835 VanDerWaalsContact C-N 3.28Å; D833-F835 PolarHBondContact O-N 3.12Å; F835-G837 PolarHBondContact O-N 2.85Å; F835-S838 PolarHBondContact O-N 3.29Å; F835-S838 VanDerWaalsContact O-N 3.09Å; F835-S838 PolarHBondContact O-OG 3.44Å; F835-S838 VanDerWaalsContact O-OG 3.05Å
836	A	42.6	Very low	39.3	Very low	43 Å²	43	80.1 Å²	80.1	36%	0.355	43%	0.431	S	S	.	.	H	α-helix	trans	-59.7	-26.6	171.5	0	0	0	0	0	111.3	D832 S838 Y839 V840	D832-A836 WeakPolarHBondContact O-CA 3.45Å; D832-A836 WeakPolarHBondContact O-CB 3.45Å; D832-A836 PolarHBondContact O-N 3.42Å; A836-S838 VanDerWaalsContact C-N 3.33Å; A836-S838 PolarHBondContact O-N 3.21Å; A836-Y839 PolarHBondContact O-N 3.32Å; A836-V840 WeakPolarHBondContact O-CG2 3.3Å; A836-V840 PolarHBondContact O-N 3.28Å
837	G	34.7	Very low	39	Very low	54 Å²	54	87.8 Å²	87.8	56%	0.557	45%	0.45	S	S	*	.	H	α-helix	trans	-60.7	-34.9	173.8	0	0	0	0	0	114.2	F835	F835-G837 PolarHBondContact O-N 2.85Å
838	S	35.5	Very low	38.5	Very low	40 Å²	40	87.5 Å²	87.5	28%	0.28	45%	0.448	S	S	.	.	H	α-helix	trans	-79.7	-24	178.5	70.4	0	0	0	0	112.9	F835 A836	F835-S838 PolarHBondContact O-N 3.29Å; F835-S838 VanDerWaalsContact O-N 3.09Å; F835-S838 PolarHBondContact O-OG 3.44Å; F835-S838 VanDerWaalsContact O-OG 3.05Å; A836-S838 VanDerWaalsContact C-N 3.33Å; A836-S838 PolarHBondContact O-N 3.21Å
839	Y	32	Very low	37.7	Very low	143 Å²	143	91.8 Å²	91.8	56%	0.561	47%	0.466	S	S	*	.	H	α-helix	trans	-74.1	-29.9	175.1	-155.8	-99.4	0	0	0	112.6	A836 L843	A836-Y839 PolarHBondContact O-N 3.32Å; Y839-L843 HydrophobicContact CD1-CD1 4.02Å; Y839-L843 HydrophobicContact CE1-CD1 3.98Å; Y839-L843 PolarHBondContact O-N 2.79Å
840	V	29.9	Very low	36.8	Very low	73 Å²	73	99.8 Å²	99.8	44%	0.442	50%	0.503	S	S	.	.	H	α-helix	trans	-79.1	-27.7	-177.8	174.6	0	0	0	0	112.5	A836 L843 K844	A836-V840 WeakPolarHBondContact O-CG2 3.3Å; A836-V840 PolarHBondContact O-N 3.28Å; V840-L843 PolarHBondContact O-N 3.04Å; V840-K844 PolarHBondContact O-N 2.82Å
841	E	29.5	Very low	35.6	Very low	140 Å²	140	103.9 Å²	103.9	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-69.5	-39.1	170.8	-86	-174.4	162.5	0	0	112	L843 K844 E845	E841-L843 PolarHBondContact O-N 2.82Å; E841-K844 PolarHBondContact O-N 2.63Å; E841-K844 VanDerWaalsContact O-N 3.13Å; E841-E845 PolarHBondContact O-N 3.47Å
842	E	31.7	Very low	34.5	Very low	87 Å²	87	109.4 Å²	109.4	41%	0.407	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-23	174.4	-86.6	-177.3	158.1	0	0	113.3
843	L	30.2	Very low	33.3	Very low	108 Å²	108	117.1 Å²	117.1	57%	0.565	60%	0.595	S	S	*	*	H	α-helix	trans	-91.9	-18.6	175.4	-73.9	170.6	0	0	0	114	Y839 V840 E841	Y839-L843 HydrophobicContact CD1-CD1 4.02Å; Y839-L843 HydrophobicContact CE1-CD1 3.98Å; Y839-L843 PolarHBondContact O-N 2.79Å; V840-L843 PolarHBondContact O-N 3.04Å; E841-L843 PolarHBondContact O-N 2.82Å
844	K	29.9	Very low	32.2	Very low	149 Å²	149	118 Å²	118	65%	0.648	61%	0.613	S	S	*	*	H	α-helix	trans	-82.9	-27.1	178.6	-84.3	-178.5	177.6	177.8	0	113.1	V840 E841 H846	V840-K844 PolarHBondContact O-N 2.82Å; E841-K844 PolarHBondContact O-N 2.63Å; E841-K844 VanDerWaalsContact O-N 3.13Å; K844-H846 PolarHBondContact O-N 2.75Å
845	E	31.3	Very low	31	Very low	168 Å²	168	126.7 Å²	126.7	79%	0.785	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-9.5	171.1	-78.2	-173.3	154.7	0	0	113.6	E841	E841-E845 PolarHBondContact O-N 3.47Å
846	H	33.2	Very low	30	Very low	176 Å²	176	131.2 Å²	131.2	82%	0.815	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	13.7	180	-93.6	-47.6	0	0	0	115.8	K844	K844-H846 PolarHBondContact O-N 2.75Å
847	R	27.8	Very low	29.1	Very low	235 Å²	235	138.4 Å²	138.4	89%	0.887	71%	0.705	S	S	*	*	S	Bend	trans	-124.7	5.6	178.5	-158.5	177.1	-90	-154.7	-2.1	116.1
848	S	25.6	Very low	28.7	Very low	85 Å²	85	140.6 Å²	140.6	59%	0.594	72%	0.718	S	S	*	*	S	Bend	trans	-127.5	89.6	172.3	47.9	0	0	0	0	109.7
849	D	28.1	Very low	28.2	Very low	157 Å²	157	144.6 Å²	144.6	84%	0.84	75%	0.746	S	S	*	*			trans	162.4	86.4	140.4	-78.3	-12.6	0	0	0	110
850	Q	27.1	Very low	27.9	Very low	194 Å²	194	140.8 Å²	140.8	91%	0.907	75%	0.75	S	S	*	*			trans	-87.8	95.7	154.5	-82.9	-176.6	3.1	0	0	107.6
851	T	27.5	Very low	27.7	Very low	122 Å²	122	139.9 Å²	139.9	75%	0.748	76%	0.756	S	S	*	*			trans	-172.9	119.9	146.1	35.1	0	0	0	0	111
852	D	28.4	Very low	28	Very low	153 Å²	153	142.1 Å²	142.1	82%	0.818	76%	0.758	S	S	*	*			trans	64.7	111.1	150.6	-58.5	-31.4	0	0	0	123.3
853	Q	26.7	Very low	28.1	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	76%	0.758	S	S	*	*			trans	17.2	112.1	148.1	-61.7	-178.3	12.9	0	0	120.4
854	A	25.6	Very low	28.3	Very low	94 Å²	94	142.4 Å²	142.4	78%	0.777	77%	0.765	S	S	*	*				-166.9	143.2	129.4	0	0	0	0	0	111.5	T856	A854-T856 PolarHBondContact O-N 3.33Å; A854-T856 VanDerWaalsContact O-N 3.16Å
855	K	26.4	Very low	28.8	Very low	213 Å²	213	139.2 Å²	139.2	93%	0.926	76%	0.756	S	S	*	*			trans	-54.1	111.2	172.7	-73.3	168.6	173	174.8	0	111
856	T	26.2	Very low	29.7	Very low	130 Å²	130	135.6 Å²	135.6	80%	0.798	74%	0.735	S	S	*	*			trans	-148.3	128.2	157.1	-51.7	0	0	0	0	108.1	A854 A858	A854-T856 PolarHBondContact O-N 3.33Å; A854-T856 VanDerWaalsContact O-N 3.16Å; T856-A858 PolarHBondContact O-N 3.46Å; T856-A858 VanDerWaalsContact O-N 3.1Å
857	E	23.7	Very low	30.7	Very low	194 Å²	194	128.5 Å²	128.5	91%	0.907	70%	0.702	S	S	*	*			trans	-55.9	110.3	-178.9	-65.3	174.6	158.5	0	0	109.8	S859	E857-S859 PolarHBondContact O-N 3.1Å
858	A	27	Very low	32.1	Very low	99 Å²	99	118.7 Å²	118.7	82%	0.818	67%	0.671	S	S	*	*			trans	-66.3	131.8	-178.4	0	0	0	0	0	110.7	T856 G860	T856-A858 PolarHBondContact O-N 3.46Å; T856-A858 VanDerWaalsContact O-N 3.1Å; A858-G860 PolarHBondContact O-N 3.33Å
859	S	25.4	Very low	34.5	Very low	125 Å²	125	115.2 Å²	115.2	87%	0.874	65%	0.646	S	S	*	*			trans	-65.2	59.8	-180	55.2	0	0	0	0	114.2	E857 G861	E857-S859 PolarHBondContact O-N 3.1Å; S859-G861 PolarHBondContact O-N 3.14Å
860	G	25.2	Very low	37.2	Very low	62 Å²	62	107.7 Å²	107.7	64%	0.639	61%	0.606	S	S	*	*			trans	-74	27.5	171.8	0	0	0	0	0	114.7	A858	A858-G860 PolarHBondContact O-N 3.33Å
861	G	25.4	Very low	39.9	Very low	55 Å²	55	98.5 Å²	98.5	57%	0.567	56%	0.563	S	S	*	*			trans	-91.7	-9	-156.5	0	0	0	0	0	118.2	S859	S859-G861 PolarHBondContact O-N 3.14Å
862	R	35.4	Very low	42.6	Very low	186 Å²	186	94.3 Å²	94.3	70%	0.702	54%	0.539	S	S	*	.	S	Bend	trans	-106.1	-29.9	-169.6	-96.9	-178.7	174.8	-178.8	-1.9	116.4
863	V	34	Very low	45.4	Very low	68 Å²	68	87.6 Å²	87.6	41%	0.412	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-74.8	-28.8	-178.1	-176.1	0	0	0	0	111.9	Y107 N865	Y107-V863 HydrophobicContact CE1-CG1 4.29Å; V863-N865 VanDerWaalsContact C-N 3.29Å; V863-N865 PolarHBondContact O-N 2.65Å
864	N	33.7	Very low	48.5	Very low	133 Å²	133	78.5 Å²	78.5	71%	0.711	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-77.8	-1.5	-177.9	-75.2	-22.9	0	0	0	115.4
865	N	40.3	Very low	51.6	Low	83 Å²	83	74.2 Å²	74.2	44%	0.444	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-105.7	3.2	-170.2	-118.9	16.9	0	0	0	115.7	V863 I867 A868	V863-N865 VanDerWaalsContact C-N 3.29Å; V863-N865 PolarHBondContact O-N 2.65Å; N865-I867 VanDerWaalsContact C-N 3.29Å; N865-I867 PolarHBondContact O-N 3.32Å; N865-A868 VanDerWaalsContact O-CB 3.28Å; N865-A868 WeakPolarHBondContact O-CB 3.49Å; N865-A868 PolarHBondContact O-N 3.12Å; N865-A868 VanDerWaalsContact O-N 3.17Å
866	R	51.7	Low	54.6	Low	92 Å²	92	64 Å²	64	35%	0.347	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-75.8	-9.7	-174.4	-63	-168.2	-167.1	-172.3	8.2	115.3	Y107 S441 Y442 A868	Y107-R866 PolarHBondContact OH-NH2 3.34Å; S441-R866 PolarHBondContact O-NH1 2.7Å; Y442-R866 PolarHBondContact OH-NH1 3.19Å; Y442-R866 PolarHBondContact OH-NH2 2.89Å; R866-A868 PolarHBondContact O-N 3.08Å
867	I	53.2	Low	57.6	Low	27 Å²	27	58 Å²	58	14%	0.138	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-80	9.1	169	-33.3	165.4	0	0	0	111.4	Y383 F387 L390 N865 D869	Y383-I867 HydrophobicContact CD1-CD1 3.82Å; Y383-I867 HydrophobicContact CD2-CD1 3.13Å; Y383-I867 HydrophobicContact CD2-CG1 4.05Å; Y383-I867 HydrophobicContact CE1-CD1 3.73Å; Y383-I867 HydrophobicContact CE1-CG1 4.22Å; Y383-I867 HydrophobicContact CE2-CD1 3.03Å; Y383-I867 HydrophobicContact CE2-CG1 3.41Å; Y383-I867 VanDerWaalsContact CE2-CG1 3.41Å; Y383-I867 HydrophobicContact CG-CD1 3.5Å; Y383-I867 VanDerWaalsContact CZ-CG1 3.47Å; F387-I867 HydrophobicContact CB-CG2 4.48Å; L390-I867 HydrophobicContact CD2-CG2 4.05Å; L390-I867 VanDerWaalsContact CD2-O 3.27Å; L390-I867 WeakPolarHBondContact CD2-O 3.3Å; N865-I867 VanDerWaalsContact C-N 3.29Å; N865-I867 PolarHBondContact O-N 3.32Å; I867-D869 PolarHBondContact O-N 3.46Å
868	A	58	Low	60.8	Low	28 Å²	28	50 Å²	50	23%	0.231	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-75.7	-14.9	-180	0	0	0	0	0	113.3	N865 R866	N865-A868 VanDerWaalsContact O-CB 3.28Å; N865-A868 WeakPolarHBondContact O-CB 3.49Å; N865-A868 PolarHBondContact O-N 3.12Å; N865-A868 VanDerWaalsContact O-N 3.17Å; R866-A868 PolarHBondContact O-N 3.08Å
869	D	75.4	Confident	63.7	Low	12 Å²	12	46 Å²	46	6%	0.064	27%	0.271	C	S	.	.			trans	-133.7	122.5	-163.6	-167.2	-46.7	0	0	0	112	Q538 I581 I867 G871 S872 S873	Q538-D869 PolarHBondContact NE2-OD1 3.47Å; Q538-D869 PolarHBondContact NE2-OD2 3.26Å; Q538-D869 PolarHBondContact OE1-OD1 2.86Å; I581-D869 PolarHBondContact N-OD2 2.83Å; I867-D869 PolarHBondContact O-N 3.46Å; D869-G871 PolarHBondContact O-N 3.29Å; D869-G871 VanDerWaalsContact OD1-CA 3.26Å; D869-G871 WeakPolarHBondContact OD1-CA 3.43Å; D869-G871 PolarHBondContact OD1-N 3.17Å; D869-S872 PolarHBondContact O-N 3.27Å; D869-S873 PolarHBondContact O-N 3.32Å
870	L	85	Confident	66.6	Low	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-29.3	176.8	-87.5	139.8	0	0	0	111.9	L390 H535 Q538 L539 I542 S873 L874	L390-L870 HydrophobicContact CD1-CD1 4.05Å; L390-L870 HydrophobicContact CD1-CG 4.08Å; L390-L870 HydrophobicContact CD2-CG 4.38Å; L390-L870 HydrophobicContact CG-CD1 4.34Å; L390-L870 HydrophobicContact CG-CD2 4.49Å; L390-L870 HydrophobicContact CG-CG 3.96Å; H535-L870 HydrophobicContact CB-CD1 3.58Å; H535-L870 WeakPolarHBondContact O-CD1 3.33Å; Q538-L870 HydrophobicContact CG-CB 4.44Å; L539-L870 HydrophobicContact CD1-CD2 4.34Å; I542-L870 HydrophobicContact CD1-CB 4.15Å; L870-S873 CarbonylContact O-C 3.6Å; L870-S873 PolarHBondContact O-N 3.06Å; L870-L874 HydrophobicContact CB-CD1 4.46Å; L870-L874 HydrophobicContact CD2-CD1 3.84Å; L870-L874 HydrophobicContact CD2-CG 4.36Å; L870-L874 WeakPolarHBondContact O-CB 3.24Å; L870-L874 WeakPolarHBondContact O-CG 3.44Å; L870-L874 PolarHBondContact O-N 3.11Å
871	G	84	Confident	69.5	Low	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-44.4	177.8	0	0	0	0	0	112.9	D869 I875	D869-G871 PolarHBondContact O-N 3.29Å; D869-G871 VanDerWaalsContact OD1-CA 3.26Å; D869-G871 WeakPolarHBondContact OD1-CA 3.43Å; D869-G871 PolarHBondContact OD1-N 3.17Å; G871-I875 WeakPolarHBondContact O-CD1 3.31Å; G871-I875 VanDerWaalsContact O-CG1 3.32Å; G871-I875 WeakPolarHBondContact O-CG1 3.33Å
872	S	83.8	Confident	72.7	Confident	34 Å²	34	51.7 Å²	51.7	24%	0.238	25%	0.252	C	S	.	.	H	α-helix	trans	-74.4	-30.8	175.7	-60.5	0	0	0	0	112	D869	D869-S872 PolarHBondContact O-N 3.27Å
873	S	88	Confident	75.3	Confident	13 Å²	13	43.1 Å²	43.1	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-84	-9.1	-178.7	-166.3	0	0	0	0	114.4	H391 R439 D869 L870	H391-S873 PolarHBondContact CE1-OG 3.14Å; H391-S873 WeakPolarHBondContact NE2-CB 3.46Å; H391-S873 PolarHBondContact NE2-OG 3.15Å; R439-S873 VanDerWaalsContact CZ-O 3.28Å; R439-S873 PolarHBondContact NE-O 3.07Å; R439-S873 PolarHBondContact NH2-O 3.44Å; R439-S873 PolarHBondContact NH2-OG 3.33Å; D869-S873 PolarHBondContact O-N 3.32Å; L870-S873 CarbonylContact O-C 3.6Å; L870-S873 PolarHBondContact O-N 3.06Å
874	L	91.6	Very high	78	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-113.8	7.9	178.7	-64.6	178.7	0	0	0	113.8	I394 L434 L539 I542 L870 F886 A887	I394-L874 HydrophobicContact CD1-CD1 4.3Å; I394-L874 HydrophobicContact CD1-CD2 3.63Å; L434-L874 HydrophobicContact CD1-CD2 4.34Å; L539-L874 HydrophobicContact CD1-CD1 3.3Å; I542-L874 HydrophobicContact CD1-CD1 4.38Å; I542-L874 HydrophobicContact CG2-CB 4.13Å; L870-L874 HydrophobicContact CB-CD1 4.46Å; L870-L874 HydrophobicContact CD2-CD1 3.84Å; L870-L874 HydrophobicContact CD2-CG 4.36Å; L870-L874 WeakPolarHBondContact O-CB 3.24Å; L870-L874 WeakPolarHBondContact O-CG 3.44Å; L870-L874 PolarHBondContact O-N 3.11Å; L874-F886 CarbonylContact O-C 3.56Å; L874-F886 WeakPolarHBondContact O-CA 3.36Å; L874-A887 PolarHBondContact O-N 3.24Å
875	I	90.6	Very high	80.7	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	101.3	169.8	-63.3	173.4	0	0	0	108	F440 P443 G871 L888	F440-I875 HydrophobicContact CB-CG2 3.72Å; F440-I875 HydrophobicContact CG-CG2 4.37Å; F440-I875 PolarHBondContact N-O 3.46Å; F440-I875 VanDerWaalsContact N-O 3.11Å; P443-I875 HydrophobicContact CB-CD1 3.75Å; P443-I875 HydrophobicContact CG-CB 4.5Å; P443-I875 HydrophobicContact CG-CD1 3.97Å; G871-I875 WeakPolarHBondContact O-CD1 3.31Å; G871-I875 VanDerWaalsContact O-CG1 3.32Å; G871-I875 WeakPolarHBondContact O-CG1 3.33Å; I875-L888 HydrophobicContact CG2-CB 4.29Å; I875-L888 HydrophobicContact CG2-CD2 4.15Å
876	A	88.8	Confident	83.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	155.2	178.3	0	0	0	0	0	111.6	T437 T879 F886 L888 A889	T437-A876 HydrophobicContact CG2-CB 3.75Å; A876-T879 HydrophobicContact CB-CG2 4.32Å; A876-F886 HydrophobicContact CB-CB 3.97Å; A876-F886 HydrophobicContact CB-CD1 3.77Å; A876-F886 HydrophobicContact CB-CD2 3.93Å; A876-F886 HydrophobicContact CB-CE1 4.32Å; A876-F886 HydrophobicContact CB-CE2 4.42Å; A876-F886 HydrophobicContact CB-CG 3.58Å; A876-L888 PolarHBondContact N-O 3.42Å; A876-A889 HydrophobicContact CB-CB 3.95Å
877	A	88.9	Confident	85.2	Confident	4 Å²	4	27.3 Å²	27.3	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-156.8	168.3	0	0	0	0	0	110.3	P438 M566 G890	P438-A877 HydrophobicContact CB-CB 4.2Å; P438-A877 HydrophobicContact CG-CB 4.41Å; P438-A877 PolarHBondContact O-N 2.9Å; M566-A877 HydrophobicContact CE-CB 3.97Å; M566-A877 HydrophobicContact SD-CB 3.98Å; A877-G890 PolarHBondContact O-N 2.97Å
878	Y	90.9	Very high	87.2	Confident	26 Å²	26	26 Å²	26	10%	0.102	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.9	171	-172.8	-80.1	0	0	0	111.1	G559 R562 V565 M566 G890 L892	G559-Y878 WeakPolarHBondContact O-CE2 3.42Å; G559-Y878 PolarHBondContact O-OH 3.48Å; R562-Y878 HydrophobicContact CB-CD1 4.38Å; R562-Y878 HydrophobicContact CB-CD2 4.47Å; R562-Y878 HydrophobicContact CB-CE1 4.49Å; R562-Y878 HydrophobicContact CB-CG 4.36Å; R562-Y878 HydrophobicContact CG-CD1 4.02Å; R562-Y878 HydrophobicContact CG-CD2 4.37Å; R562-Y878 HydrophobicContact CG-CG 3.87Å; R562-Y878 PolarHBondContact NH1-O 2.87Å; V565-Y878 HydrophobicContact CB-CD2 3.79Å; V565-Y878 HydrophobicContact CB-CE2 4.08Å; V565-Y878 HydrophobicContact CG1-CD2 3.67Å; V565-Y878 HydrophobicContact CG1-CE2 4.17Å; V565-Y878 HydrophobicContact CG2-CD2 4.28Å; V565-Y878 HydrophobicContact CG2-CE2 4.05Å; M566-Y878 PolarHBondContact SD-N 3.18Å; M566-Y878 VanDerWaalsContact SD-N 3.37Å; Y878-G890 WeakPolarHBondContact CA-O 3.41Å; Y878-L892 WeakPolarHBondContact OH-CA 3.36Å; Y878-L892 PolarHBondContact OH-N 3.25Å
879	T	89.4	Confident	89	Confident	13 Å²	13	24.9 Å²	24.9	8%	0.08	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.8	-170.8	61.4	0	0	0	0	111.4	T437 P438 A876 E881 G890 T891	T437-T879 HydrophobicContact CG2-CG2 3.52Å; P438-T879 HydrophobicContact CG-CG2 4.35Å; A876-T879 HydrophobicContact CB-CG2 4.32Å; T879-E881 PolarHBondContact OG1-O 3.4Å; T879-G890 PolarHBondContact N-O 2.85Å; T879-G890 PolarHBondContact OG1-O 3.28Å; T879-T891 VanDerWaalsContact O-CA 3.25Å; T879-T891 WeakPolarHBondContact O-CA 3.18Å; T879-T891 WeakPolarHBondContact O-CB 3.42Å; T879-T891 PolarHBondContact O-OG1 3.36Å
880	E	84.9	Confident	89.9	Confident	182 Å²	182	24.3 Å²	24.3	85%	0.85	12%	0.121	S	C	*	.	S	Bend	trans	-74.2	-31.4	179.8	-63.1	-174.7	172.5	0	0	112.9	T891	E880-T891 PolarHBondContact O-OG1 2.99Å
881	E	87.5	Confident	90.3	Very high	142 Å²	142	24.5 Å²	24.5	66%	0.664	12%	0.122	S	C	*	.	S	Bend	trans	-132.8	148.2	-178.1	-63.9	-166.9	156.9	0	0	112	T879	T879-E881 PolarHBondContact OG1-O 3.4Å
882	F	91.8	Very high	90.8	Very high	38 Å²	38	28.5 Å²	28.5	17%	0.167	14%	0.143	C	C	.	.			trans	-64.5	136.3	174.9	168.6	-107.2	0	0	0	111.8	L556 P884 V897 K900 V901 A904 M905	L556-F882 HydrophobicContact CD1-CD2 3.86Å; L556-F882 HydrophobicContact CD2-CD2 3.54Å; L556-F882 HydrophobicContact CD2-CE2 4.09Å; L556-F882 HydrophobicContact CD2-CG 4.26Å; L556-F882 HydrophobicContact CG-CD2 4.25Å; F882-P884 HydrophobicContact CE1-CB 4.31Å; F882-P884 HydrophobicContact CZ-CB 4.11Å; F882-V897 HydrophobicContact CB-CG2 4.26Å; F882-K900 HydrophobicContact CD1-CB 4.4Å; F882-V901 HydrophobicContact CD1-CG2 3.93Å; F882-V901 HydrophobicContact CD2-CG2 3.92Å; F882-V901 HydrophobicContact CE1-CB 4.28Å; F882-V901 HydrophobicContact CE1-CG2 3.79Å; F882-V901 HydrophobicContact CE2-CG2 3.77Å; F882-V901 HydrophobicContact CG-CG2 3.98Å; F882-V901 HydrophobicContact CZ-CB 4.26Å; F882-V901 HydrophobicContact CZ-CG1 4.43Å; F882-V901 HydrophobicContact CZ-CG2 3.7Å; F882-A904 HydrophobicContact CE1-CB 3.86Å; F882-A904 HydrophobicContact CZ-CB 4.4Å; F882-M905 HydrophobicContact CZ-CE 4.12Å
883	S	90.7	Very high	91.2	Very high	7 Å²	7	30.5 Å²	30.5	5%	0.049	15%	0.148	C	C	.	.			trans	-133.8	133.1	173.9	173.8	0	0	0	0	110.9	V433 Y885	V433-S883 WeakPolarHBondContact CG1-OG 3.42Å; S883-Y885 VanDerWaalsContact C-N 3.32Å; S883-Y885 PolarHBondContact O-N 3.09Å; S883-Y885 VanDerWaalsContact OG-CD2 3.22Å; S883-Y885 WeakPolarHBondContact OG-CD2 3.46Å
884	P	90.1	Very high	91.3	Very high	19 Å²	19	32.1 Å²	32.1	12%	0.123	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.1	-171.7	32.9	-36.6	0	0	0	115	R554 F882 A904 M905 L908	R554-P884 PolarHBondContact NE-O 3.36Å; F882-P884 HydrophobicContact CE1-CB 4.31Å; F882-P884 HydrophobicContact CZ-CB 4.11Å; P884-A904 HydrophobicContact CB-CB 3.75Å; P884-A904 HydrophobicContact CG-CB 4.17Å; P884-M905 HydrophobicContact CB-CE 4.42Å; P884-L908 HydrophobicContact CB-CD1 3.98Å; P884-L908 HydrophobicContact CG-CD1 4.39Å
885	Y	90.2	Very high	91	Very high	20 Å²	20	37.4 Å²	37.4	8%	0.078	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-27.1	-175.5	-48.2	-57.7	0	0	0	113.3	I394 E398 A430 L434 S883	I394-Y885 HydrophobicContact CG2-CD1 3.47Å; I394-Y885 VanDerWaalsContact CG2-CD1 3.47Å; I394-Y885 HydrophobicContact CG2-CE1 3.92Å; I394-Y885 HydrophobicContact CG2-CG 4.01Å; E398-Y885 HydrophobicContact CG-CE1 4.34Å; E398-Y885 VanDerWaalsContact OE1-CE1 3.31Å; E398-Y885 WeakPolarHBondContact OE1-CE1 3.3Å; E398-Y885 PolarHBondContact OE1-OH 3.46Å; E398-Y885 PolarHBondContact OE2-OH 3.11Å; A430-Y885 HydrophobicContact CB-CE2 4.24Å; A430-Y885 WeakPolarHBondContact CB-OH 3.43Å; L434-Y885 HydrophobicContact CB-CD2 4.33Å; L434-Y885 HydrophobicContact CD1-CD2 4.12Å; L434-Y885 HydrophobicContact CD1-CG 4.09Å; S883-Y885 VanDerWaalsContact C-N 3.32Å; S883-Y885 PolarHBondContact O-N 3.09Å; S883-Y885 VanDerWaalsContact OG-CD2 3.22Å; S883-Y885 WeakPolarHBondContact OG-CD2 3.46Å
886	F	93.4	Very high	91	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.022	21%	0.206	C	C	.	.			trans	-84.6	129.9	-173.8	-58.7	-65.3	0	0	0	111.2	L434 T437 R554 L874 A876 L888 A889	L434-F886 HydrophobicContact CD1-CE1 4.27Å; L434-F886 HydrophobicContact CD1-CZ 4.24Å; T437-F886 VanDerWaalsContact CB-CZ 3.48Å; T437-F886 HydrophobicContact CG2-CD2 4.25Å; T437-F886 HydrophobicContact CG2-CE1 4.26Å; T437-F886 HydrophobicContact CG2-CE2 3.52Å; T437-F886 HydrophobicContact CG2-CZ 3.54Å; R554-F886 WeakPolarHBondContact CD-O 3.42Å; L874-F886 CarbonylContact O-C 3.56Å; L874-F886 WeakPolarHBondContact O-CA 3.36Å; A876-F886 HydrophobicContact CB-CB 3.97Å; A876-F886 HydrophobicContact CB-CD1 3.77Å; A876-F886 HydrophobicContact CB-CD2 3.93Å; A876-F886 HydrophobicContact CB-CE1 4.32Å; A876-F886 HydrophobicContact CB-CE2 4.42Å; A876-F886 HydrophobicContact CB-CG 3.58Å; F886-L888 PolarHBondContact O-N 3.24Å; F886-A889 HydrophobicContact CB-CB 4.24Å
887	A	93.4	Very high	91.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-67.5	-30.2	175.3	0	0	0	0	0	112.5	I542 T555 L874	I542-A887 HydrophobicContact CG2-CB 3.28Å; I542-A887 WeakPolarHBondContact O-CB 3.48Å; T555-A887 PolarHBondContact N-O 3.22Å; L874-A887 PolarHBondContact O-N 3.24Å
888	L	95.6	Very high	91.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	129.3	176.6	-178.6	62	0	0	0	109.6	T555 L569 L572 I576 I875 A876 F886	T555-L888 HydrophobicContact CG2-CD1 3.93Å; T555-L888 WeakPolarHBondContact O-CA 3.19Å; L569-L888 HydrophobicContact CB-CD2 4.34Å; L569-L888 HydrophobicContact CD2-CD1 3.6Å; L569-L888 HydrophobicContact CD2-CD2 4.34Å; L569-L888 HydrophobicContact CD2-CG 3.84Å; L569-L888 WeakPolarHBondContact O-CD2 3.41Å; L572-L888 HydrophobicContact CB-CD1 4.04Å; L572-L888 HydrophobicContact CB-CD2 3.84Å; L572-L888 HydrophobicContact CD1-CD1 3.71Å; I576-L888 HydrophobicContact CD1-CB 3.85Å; I576-L888 HydrophobicContact CD1-CD1 4.05Å; I576-L888 HydrophobicContact CD1-CD2 4.15Å; I576-L888 HydrophobicContact CD1-CG 4.23Å; I875-L888 HydrophobicContact CG2-CB 4.29Å; I875-L888 HydrophobicContact CG2-CD2 4.15Å; A876-L888 PolarHBondContact N-O 3.42Å; F886-L888 PolarHBondContact O-N 3.24Å
889	A	94.8	Very high	91.2	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	154.1	175	0	0	0	0	0	111.8	T555 L556 V557 A876 F886	T555-A889 PolarHBondContact O-N 3.03Å; T555-A889 VanDerWaalsContact O-N 3.08Å; L556-A889 WeakPolarHBondContact CA-O 3.25Å; L556-A889 HydrophobicContact CD1-CB 4.22Å; V557-A889 PolarHBondContact N-O 2.99Å; A876-A889 HydrophobicContact CB-CB 3.95Å; F886-A889 HydrophobicContact CB-CB 4.24Å
890	G	94.6	Very high	91.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.3	167.8	0	0	0	0	0	111.2	V557 A877 Y878 T879	V557-G890 CarbonylContact O-C 3.19Å; V557-G890 VanDerWaalsContact O-CA 3.27Å; V557-G890 WeakPolarHBondContact O-CA 3.23Å; A877-G890 PolarHBondContact O-N 2.97Å; Y878-G890 WeakPolarHBondContact CA-O 3.41Å; T879-G890 PolarHBondContact N-O 2.85Å; T879-G890 PolarHBondContact OG1-O 3.28Å
891	T	94.6	Very high	91.7	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	169.3	173.6	-166.4	0	0	0	0	112.7	L556 V557 L558 G559 T879 E880	L556-T891 HydrophobicContact CD1-CG2 3.74Å; L556-T891 HydrophobicContact CD2-CG2 4.25Å; L556-T891 HydrophobicContact CG-CG2 4.23Å; V557-T891 PolarHBondContact O-N 3.37Å; L558-T891 WeakPolarHBondContact CA-O 3.34Å; L558-T891 HydrophobicContact CD2-CG2 3.44Å; L558-T891 VanDerWaalsContact CD2-CG2 3.44Å; G559-T891 PolarHBondContact N-O 3.17Å; T879-T891 VanDerWaalsContact O-CA 3.25Å; T879-T891 WeakPolarHBondContact O-CA 3.18Å; T879-T891 WeakPolarHBondContact O-CB 3.42Å; T879-T891 PolarHBondContact O-OG1 3.36Å; E880-T891 PolarHBondContact O-OG1 2.99Å
892	L	93.6	Very high	91.9	Very high	84 Å²	84	34.4 Å²	34.4	44%	0.44	18%	0.18	S	C	.	.			trans	-70.7	140.8	175.2	-173.1	67.7	0	0	0	110.3	D560 Y878 T894	D560-L892 HydrophobicContact CB-CD1 4.29Å; Y878-L892 WeakPolarHBondContact OH-CA 3.36Å; Y878-L892 PolarHBondContact OH-N 3.25Å; L892-T894 PolarHBondContact O-N 2.88Å
893	F	91.2	Very high	91.9	Very high	76 Å²	76	37.3 Å²	37.3	33%	0.333	20%	0.197	S	C	.	.			trans	-64.6	122.5	171.5	177.4	-99	0	0	0	110.2	L558 Y898	L558-F893 HydrophobicContact CB-CB 4.36Å; L558-F893 HydrophobicContact CB-CD2 4.48Å; L558-F893 HydrophobicContact CD1-CD2 3.85Å; L558-F893 HydrophobicContact CD1-CE2 4.48Å; F893-Y898 AromaticContact CE2-CE2 3.73Å; F893-Y898 HydrophobicContact CE2-CE2 3.73Å; F893-Y898 HydrophobicContact CZ-CE2 4.37Å
894	T	90.1	Very high	91.9	Very high	48 Å²	48	37.4 Å²	37.4	29%	0.294	20%	0.199	S	C	.	.			trans	-127	143.6	168.2	63.2	0	0	0	0	109.1	L892 S896 V897	L892-T894 PolarHBondContact O-N 2.88Å; T894-S896 PolarHBondContact O-N 3.23Å; T894-S896 VanDerWaalsContact O-N 3.13Å; T894-V897 VanDerWaalsContact O-CB 3.31Å; T894-V897 WeakPolarHBondContact O-CB 3.39Å; T894-V897 WeakPolarHBondContact O-CG1 3.44Å; T894-V897 PolarHBondContact O-N 2.92Å
895	P	85.6	Confident	92	Very high	111 Å²	111	36.5 Å²	36.5	72%	0.721	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.7	-179.2	-27.6	35.3	0	0	0	113.6	V897	P895-V897 VanDerWaalsContact C-N 3.32Å; P895-V897 PolarHBondContact O-N 3.27Å
896	S	90.3	Very high	92	Very high	44 Å²	44	39.1 Å²	39.1	31%	0.308	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.9	178.4	61.6	0	0	0	0	115	T894 Y898 E899 K900	T894-S896 PolarHBondContact O-N 3.23Å; T894-S896 VanDerWaalsContact O-N 3.13Å; S896-Y898 VanDerWaalsContact C-N 3.28Å; S896-Y898 PolarHBondContact O-N 2.88Å; S896-E899 PolarHBondContact O-N 3.45Å; S896-K900 WeakPolarHBondContact O-CG 3.32Å; S896-K900 PolarHBondContact O-N 3.35Å; S896-K900 VanDerWaalsContact O-N 3.1Å
897	V	91.4	Very high	91.7	Very high	3 Å²	3	43 Å²	43	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-39.3	-168.8	71.7	0	0	0	0	112.1	L556 L558 F882 T894 P895 K900 V901	L556-V897 HydrophobicContact CD2-CG2 4.02Å; L558-V897 HydrophobicContact CD1-CG1 3.61Å; L558-V897 HydrophobicContact CD2-CG1 4.27Å; L558-V897 HydrophobicContact CD2-CG2 3.95Å; F882-V897 HydrophobicContact CB-CG2 4.26Å; T894-V897 VanDerWaalsContact O-CB 3.31Å; T894-V897 WeakPolarHBondContact O-CB 3.39Å; T894-V897 WeakPolarHBondContact O-CG1 3.44Å; T894-V897 PolarHBondContact O-N 2.92Å; P895-V897 VanDerWaalsContact C-N 3.32Å; P895-V897 PolarHBondContact O-N 3.27Å; V897-K900 PolarHBondContact O-N 3.5Å; V897-V901 HydrophobicContact CG2-CG2 4.41Å; V897-V901 WeakPolarHBondContact O-CB 3.44Å; V897-V901 WeakPolarHBondContact O-CG2 3.4Å; V897-V901 PolarHBondContact O-N 2.96Å
898	Y	90.8	Very high	91.4	Very high	14 Å²	14	43.2 Å²	43.2	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-38.7	-178.8	-64.4	-61.3	0	0	0	112.1	L558 F893 S896 V901 H902 V926 R935 I937 F945	L558-Y898 HydrophobicContact CD1-CE1 4.2Å; F893-Y898 AromaticContact CE2-CE2 3.73Å; F893-Y898 HydrophobicContact CE2-CE2 3.73Å; F893-Y898 HydrophobicContact CZ-CE2 4.37Å; S896-Y898 VanDerWaalsContact C-N 3.28Å; S896-Y898 PolarHBondContact O-N 2.88Å; Y898-V901 PolarHBondContact O-N 3.21Å; Y898-H902 WeakPolarHBondContact O-CB 3.3Å; Y898-H902 PolarHBondContact O-N 3.25Å; Y898-V926 HydrophobicContact CD1-CG1 4.05Å; Y898-V926 HydrophobicContact CE1-CB 4.23Å; Y898-V926 HydrophobicContact CE1-CG1 3.59Å; Y898-R935 PolarHBondContact OH-NH2 3.39Å; Y898-I937 HydrophobicContact CD1-CD1 3.83Å; Y898-I937 HydrophobicContact CG-CD1 4.46Å; Y898-F945 HydrophobicContact CD2-CE1 4.03Å; Y898-F945 AromaticContact CG-CE1 3.94Å; Y898-F945 HydrophobicContact CG-CE1 3.94Å
899	E	90.5	Very high	90.8	Very high	108 Å²	108	44.2 Å²	44.2	51%	0.505	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-46.8	176.6	-69.4	178.9	167.3	0	0	109.6	S896 V901 H902 D903 F945	S896-E899 PolarHBondContact O-N 3.45Å; E899-V901 VanDerWaalsContact C-N 3.3Å; E899-V901 PolarHBondContact O-N 2.95Å; E899-H902 PolarHBondContact O-N 3.42Å; E899-H902 VanDerWaalsContact O-N 3.16Å; E899-D903 PolarHBondContact O-N 3.39Å; E899-F945 HydrophobicContact CB-CZ 4.34Å; E899-F945 HydrophobicContact CG-CE1 4.37Å; E899-F945 HydrophobicContact CG-CE2 3.63Å; E899-F945 HydrophobicContact CG-CZ 3.53Å
900	K	92.4	Very high	90.1	Very high	104 Å²	104	47.3 Å²	47.3	45%	0.452	25%	0.254	S	S	.	.	H	α-helix	trans	-57	-42.3	174.8	-68.1	179.3	-179.5	-176.2	0	112.3	F882 S896 V897 A904	F882-K900 HydrophobicContact CD1-CB 4.4Å; S896-K900 WeakPolarHBondContact O-CG 3.32Å; S896-K900 PolarHBondContact O-N 3.35Å; S896-K900 VanDerWaalsContact O-N 3.1Å; V897-K900 PolarHBondContact O-N 3.5Å; K900-A904 VanDerWaalsContact O-CB 3.29Å; K900-A904 WeakPolarHBondContact O-CB 3.47Å; K900-A904 PolarHBondContact O-N 3.49Å
901	V	93.5	Very high	88.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-47.4	177.1	170	0	0	0	0	110.6	L556 F882 V897 Y898 E899 A904 M905 C924 V926 I937	L556-V901 HydrophobicContact CD2-CG2 3.76Å; F882-V901 HydrophobicContact CD1-CG2 3.93Å; F882-V901 HydrophobicContact CD2-CG2 3.92Å; F882-V901 HydrophobicContact CE1-CB 4.28Å; F882-V901 HydrophobicContact CE1-CG2 3.79Å; F882-V901 HydrophobicContact CE2-CG2 3.77Å; F882-V901 HydrophobicContact CG-CG2 3.98Å; F882-V901 HydrophobicContact CZ-CB 4.26Å; F882-V901 HydrophobicContact CZ-CG1 4.43Å; F882-V901 HydrophobicContact CZ-CG2 3.7Å; V897-V901 HydrophobicContact CG2-CG2 4.41Å; V897-V901 WeakPolarHBondContact O-CB 3.44Å; V897-V901 WeakPolarHBondContact O-CG2 3.4Å; V897-V901 PolarHBondContact O-N 2.96Å; Y898-V901 PolarHBondContact O-N 3.21Å; E899-V901 VanDerWaalsContact C-N 3.3Å; E899-V901 PolarHBondContact O-N 2.95Å; V901-A904 PolarHBondContact O-N 2.66Å; V901-M905 HydrophobicContact CG1-CG 4.39Å; V901-M905 WeakPolarHBondContact O-CG 3.42Å; V901-M905 PolarHBondContact O-N 2.98Å; V901-C924 HydrophobicContact CG1-CB 3.45Å; V901-C924 VanDerWaalsContact CG1-CB 3.45Å; V901-V926 HydrophobicContact CG1-CG2 4.18Å; V901-I937 HydrophobicContact CB-CD1 4.11Å; V901-I937 HydrophobicContact CG1-CB 4.1Å; V901-I937 HydrophobicContact CG1-CD1 3.88Å; V901-I937 HydrophobicContact CG1-CG2 4.07Å
902	H	91.1	Very high	87.2	Confident	35 Å²	35	50.6 Å²	50.6	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-46.9	-179.7	168.9	-93.7	0	0	0	112.1	Y898 E899 A904 M905 K906 I937	Y898-H902 WeakPolarHBondContact O-CB 3.3Å; Y898-H902 PolarHBondContact O-N 3.25Å; E899-H902 PolarHBondContact O-N 3.42Å; E899-H902 VanDerWaalsContact O-N 3.16Å; H902-A904 VanDerWaalsContact C-N 3.31Å; H902-A904 PolarHBondContact O-N 3.31Å; H902-M905 PolarHBondContact O-N 2.72Å; H902-K906 WeakPolarHBondContact CE1-CE 3.44Å; H902-K906 PolarHBondContact CE1-NZ 3.34Å; H902-K906 WeakPolarHBondContact NE2-CE 3.21Å; H902-K906 PolarHBondContact O-N 3.31Å; H902-I937 HydrophobicContact CB-CG2 3.7Å
903	D	91.2	Very high	85.7	Confident	98 Å²	98	47.3 Å²	47.3	52%	0.524	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-40.4	178.7	-68.8	-12.1	0	0	0	111.5	E899 K906 Q907	E899-D903 PolarHBondContact O-N 3.39Å; D903-K906 PolarHBondContact O-N 2.88Å; D903-Q907 WeakPolarHBondContact O-CB 3.5Å; D903-Q907 PolarHBondContact O-N 2.87Å
904	A	92	Very high	83.9	Confident	10 Å²	10	46.5 Å²	46.5	8%	0.083	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-38.9	175.6	0	0	0	0	0	112.5	F882 P884 K900 V901 H902 Q907 L908	F882-A904 HydrophobicContact CE1-CB 3.86Å; F882-A904 HydrophobicContact CZ-CB 4.4Å; P884-A904 HydrophobicContact CB-CB 3.75Å; P884-A904 HydrophobicContact CG-CB 4.17Å; K900-A904 VanDerWaalsContact O-CB 3.29Å; K900-A904 WeakPolarHBondContact O-CB 3.47Å; K900-A904 PolarHBondContact O-N 3.49Å; V901-A904 PolarHBondContact O-N 2.66Å; H902-A904 VanDerWaalsContact C-N 3.31Å; H902-A904 PolarHBondContact O-N 3.31Å; A904-Q907 PolarHBondContact O-N 2.84Å; A904-L908 VanDerWaalsContact O-CD1 3.29Å; A904-L908 WeakPolarHBondContact O-CD1 3.46Å; A904-L908 PolarHBondContact O-N 3.28Å
905	M	92.2	Very high	82.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-41.3	174.6	-68.3	-46.9	106.7	0	0	111.3	R554 F882 P884 V901 H902 Q907 L908 A909 A922 C924 S939	R554-M905 HydrophobicContact CB-CE 4.49Å; R554-M905 HydrophobicContact CG-CE 4.02Å; R554-M905 HydrophobicContact CG-SD 4.14Å; F882-M905 HydrophobicContact CZ-CE 4.12Å; P884-M905 HydrophobicContact CB-CE 4.42Å; V901-M905 HydrophobicContact CG1-CG 4.39Å; V901-M905 WeakPolarHBondContact O-CG 3.42Å; V901-M905 PolarHBondContact O-N 2.98Å; H902-M905 PolarHBondContact O-N 2.72Å; M905-Q907 VanDerWaalsContact C-N 3.31Å; M905-Q907 PolarHBondContact O-N 2.94Å; M905-L908 PolarHBondContact O-N 3.08Å; M905-A909 WeakPolarHBondContact O-CB 3.41Å; M905-A909 PolarHBondContact O-N 3.25Å; M905-A922 HydrophobicContact CB-CB 4.24Å; M905-A922 WeakPolarHBondContact O-CB 3.48Å; M905-A922 HydrophobicContact SD-CB 4.2Å; M905-C924 HydrophobicContact CE-CB 4.12Å; M905-C924 HydrophobicContact CG-CB 3.98Å; M905-C924 HydrophobicContact SD-CB 3.88Å; M905-S939 WeakPolarHBondContact O-CB 3.49Å
906	K	89.3	Confident	80.5	Confident	74 Å²	74	42.8 Å²	42.8	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-43.7	173.4	-79.8	-173.8	169.7	-179.1	0	112	H902 D903 A909 S910	H902-K906 WeakPolarHBondContact CE1-CE 3.44Å; H902-K906 PolarHBondContact CE1-NZ 3.34Å; H902-K906 WeakPolarHBondContact NE2-CE 3.21Å; H902-K906 PolarHBondContact O-N 3.31Å; D903-K906 PolarHBondContact O-N 2.88Å; K906-A909 PolarHBondContact O-N 3.47Å; K906-S910 WeakPolarHBondContact O-CB 3.46Å; K906-S910 PolarHBondContact O-N 3.01Å; K906-S910 PolarHBondContact O-OG 2.83Å
907	Q	87	Confident	79	Confident	87 Å²	87	43 Å²	43	41%	0.407	23%	0.23	S	C	.	.	H	α-helix	trans	-66.3	-39.3	177.9	-169.3	173.1	32	0	0	112.6	L401 D903 A904 M905 S910 A911	L401-Q907 HydrophobicContact CD1-CG 3.89Å; L401-Q907 VanDerWaalsContact CD1-NE2 3.3Å; L401-Q907 HydrophobicContact CD2-CG 3.54Å; L401-Q907 HydrophobicContact CG-CG 4.34Å; D903-Q907 WeakPolarHBondContact O-CB 3.5Å; D903-Q907 PolarHBondContact O-N 2.87Å; A904-Q907 PolarHBondContact O-N 2.84Å; M905-Q907 VanDerWaalsContact C-N 3.31Å; M905-Q907 PolarHBondContact O-N 2.94Å; Q907-S910 PolarHBondContact O-OG 3.5Å; Q907-S910 VanDerWaalsContact O-OG 3.12Å; Q907-A911 WeakPolarHBondContact O-CB 3.42Å; Q907-A911 PolarHBondContact O-N 3.32Å; Q907-A911 VanDerWaalsContact O-N 3.12Å
908	L	86.8	Confident	77.8	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-39	175.8	-98.8	72.5	0	0	0	112.3	I552 P884 A904 M905 A911 A922	I552-L908 HydrophobicContact CD1-CB 4.15Å; I552-L908 HydrophobicContact CD1-CD2 3.73Å; I552-L908 HydrophobicContact CD1-CG 4.41Å; P884-L908 HydrophobicContact CB-CD1 3.98Å; P884-L908 HydrophobicContact CG-CD1 4.39Å; A904-L908 VanDerWaalsContact O-CD1 3.29Å; A904-L908 WeakPolarHBondContact O-CD1 3.46Å; A904-L908 PolarHBondContact O-N 3.28Å; M905-L908 PolarHBondContact O-N 3.08Å; L908-A911 PolarHBondContact O-N 2.92Å; L908-A922 HydrophobicContact CB-CB 4.16Å
909	A	84.6	Confident	77.1	Confident	22 Å²	22	47.3 Å²	47.3	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-70.8	-35.4	178.7	0	0	0	0	0	112.7	M905 K906 A911 A922 S939	M905-A909 WeakPolarHBondContact O-CB 3.41Å; M905-A909 PolarHBondContact O-N 3.25Å; K906-A909 PolarHBondContact O-N 3.47Å; A909-A911 VanDerWaalsContact C-N 3.28Å; A909-A922 HydrophobicContact CB-CB 4.04Å; A909-S939 WeakPolarHBondContact CB-OG 3.22Å
910	S	79.7	Confident	76.6	Confident	69 Å²	69	48.5 Å²	48.5	48%	0.483	26%	0.262	S	S	.	.	H	α-helix	trans	-77.5	-16.2	176.1	67.8	0	0	0	0	113.2	K906 Q907	K906-S910 WeakPolarHBondContact O-CB 3.46Å; K906-S910 PolarHBondContact O-N 3.01Å; K906-S910 PolarHBondContact O-OG 2.83Å; Q907-S910 PolarHBondContact O-OG 3.5Å; Q907-S910 VanDerWaalsContact O-OG 3.12Å
911	A	69	Low	76.3	Confident	8 Å²	8	44.8 Å²	44.8	7%	0.066	25%	0.246	C	C	.	.	S	Bend	trans	-76.6	128.6	179.4	0	0	0	0	0	112.2	L397 Q907 L908 A909 I913	L397-A911 HydrophobicContact CD1-CB 3.08Å; Q907-A911 WeakPolarHBondContact O-CB 3.42Å; Q907-A911 PolarHBondContact O-N 3.32Å; Q907-A911 VanDerWaalsContact O-N 3.12Å; L908-A911 PolarHBondContact O-N 2.92Å; A909-A911 VanDerWaalsContact C-N 3.28Å; A911-I913 HydrophobicContact CB-CG1 4.32Å; A911-I913 PolarHBondContact O-N 2.78Å
912	N	58.9	Low	76.2	Confident	63 Å²	63	44.8 Å²	44.8	34%	0.337	25%	0.246	S	C	.	.			trans	-72.4	78	166.6	-76.7	-10.7	0	0	0	109	R271	R271-N912 VanDerWaalsContact CZ-ND2 3.28Å; R271-N912 PolarHBondContact NE-ND2 3.47Å; R271-N912 PolarHBondContact NH1-ND2 3.21Å
913	I	61.7	Low	76.2	Confident	15 Å²	15	43.1 Å²	43.1	8%	0.077	24%	0.239	C	C	.	.			trans	-64.5	143.9	163.4	-55	-170.7	0	0	0	106.8	L397 W543 A911 S915 I919	L397-I913 HydrophobicContact CD1-CG1 4.29Å; L397-I913 HydrophobicContact CD2-CD1 4.25Å; W543-I913 HydrophobicContact CH2-CD1 3.64Å; W543-I913 HydrophobicContact CH2-CG2 4.22Å; W543-I913 HydrophobicContact CZ3-CD1 3.52Å; W543-I913 HydrophobicContact CZ3-CG2 3.99Å; A911-I913 HydrophobicContact CB-CG1 4.32Å; A911-I913 PolarHBondContact O-N 2.78Å; I913-S915 PolarHBondContact O-N 2.83Å; I913-I919 HydrophobicContact CB-CD1 4Å; I913-I919 HydrophobicContact CD1-CD1 3.54Å; I913-I919 HydrophobicContact CG1-CD1 3.86Å
914	T	54.6	Low	76.3	Confident	60 Å²	60	38.5 Å²	38.5	37%	0.368	21%	0.214	S	C	.	.	S	Bend	trans	-68.5	52.2	176.8	-46.1	0	0	0	0	110.9	E396	E396-T914 PolarHBondContact OE2-OG1 3.1Å
915	S	50.7	Low	76.5	Confident	22 Å²	22	38 Å²	38	15%	0.154	21%	0.21	C	C	.	.			trans	-92.2	146.3	165.4	53.3	0	0	0	0	108.9	I913 E917	I913-S915 PolarHBondContact O-N 2.83Å; S915-E917 WeakPolarHBondContact CB-O 3.25Å; S915-E917 PolarHBondContact O-N 2.82Å; S915-E917 VanDerWaalsContact O-N 3.14Å; S915-E917 PolarHBondContact OG-O 2.59Å
916	P	52.2	Low	76.6	Confident	59 Å²	59	38 Å²	38	38%	0.383	21%	0.21	S	C	.	.	S	Bend	trans	-61.4	-21.1	179.3	16.4	-24.6	0	0	0	113.4	M711	M711-P916 HydrophobicContact CE-CB 3.98Å; M711-P916 HydrophobicContact CE-CG 3.59Å; M711-P916 HydrophobicContact SD-CG 4.02Å
917	E	58.6	Low	76.9	Confident	48 Å²	48	34.5 Å²	34.5	22%	0.224	20%	0.195	C	C	.	.	S	Bend	trans	-125.3	140.6	175.8	-168.9	179.3	175.6	0	0	109.6	C550 M711 S915	C550-E917 HydrophobicContact CB-CB 4.44Å; C550-E917 HydrophobicContact CB-CG 4.47Å; M711-E917 HydrophobicContact CE-CB 3.46Å; M711-E917 VanDerWaalsContact CE-CB 3.46Å; S915-E917 WeakPolarHBondContact CB-O 3.25Å; S915-E917 PolarHBondContact O-N 2.82Å; S915-E917 VanDerWaalsContact O-N 3.14Å; S915-E917 PolarHBondContact OG-O 2.59Å
918	P	67.5	Low	77.3	Confident	95 Å²	95	30.5 Å²	30.5	62%	0.617	18%	0.176	S	C	*	.			trans	-60.5	142.2	175.4	26.3	-35	0	0	0	110.7	K920	P918-K920 PolarHBondContact O-N 2.96Å
919	I	76.7	Confident	77.6	Confident	13 Å²	13	30.9 Å²	30.9	7%	0.067	18%	0.178	C	C	.	.			trans	-68.7	115.4	174	-63.2	165.9	0	0	0	107.2	I552 I913 E921	I552-I919 HydrophobicContact CD1-CD1 4.14Å; I552-I919 HydrophobicContact CD1-CG2 4.39Å; I552-I919 HydrophobicContact CG1-CG2 4.01Å; I552-I919 HydrophobicContact CG2-CD1 4.09Å; I552-I919 HydrophobicContact CG2-CG1 4.2Å; I552-I919 HydrophobicContact CG2-CG2 4.29Å; I913-I919 HydrophobicContact CB-CD1 4Å; I913-I919 HydrophobicContact CD1-CD1 3.54Å; I913-I919 HydrophobicContact CG1-CD1 3.86Å; I919-E921 WeakPolarHBondContact CG2-O 3.33Å
920	K	79.8	Confident	77.9	Confident	132 Å²	132	33.2 Å²	33.2	57%	0.574	19%	0.193	S	C	*	.			trans	-77.4	-36.1	178.7	-172.4	-178	177.9	-167.7	0	111.1	P549 C550 P918	P549-K920 HydrophobicContact CB-CB 3.88Å; P549-K920 HydrophobicContact CB-CD 3.35Å; P549-K920 HydrophobicContact CB-CG 4.24Å; P549-K920 HydrophobicContact CG-CD 3.42Å; P549-K920 VanDerWaalsContact CG-CD 3.42Å; C550-K920 PolarHBondContact O-N 2.91Å; P918-K920 PolarHBondContact O-N 2.96Å
921	E	85.3	Confident	78.4	Confident	26 Å²	26	32.8 Å²	32.8	12%	0.121	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	137.2	-177.2	-170.5	-169	-164.1	0	0	110.6	R551 I552 I919 V923 S938 S939 S940	R551-E921 VanDerWaalsContact CA-O 3.31Å; R551-E921 WeakPolarHBondContact CA-O 3.26Å; R551-E921 HydrophobicContact CG-CB 4.31Å; R551-E921 IonicContact CZ-OE2 3.53Å; R551-E921 IonicContact NE-OE2 2.72Å; R551-E921 PolarHBondContact NE-OE2 2.82Å; R551-E921 IonicContact NH2-OE1 3.31Å; R551-E921 IonicContact NH2-OE2 3.67Å; R551-E921 PolarHBondContact NH2-OE2 2.78Å; I552-E921 PolarHBondContact N-O 2.8Å; I919-E921 WeakPolarHBondContact CG2-O 3.33Å; E921-V923 HydrophobicContact CG-CG1 3.79Å; E921-V923 WeakPolarHBondContact OE1-CG1 3.49Å; E921-S938 WeakPolarHBondContact CG-OG 3.43Å; E921-S938 VanDerWaalsContact OE1-CB 3.23Å; E921-S938 WeakPolarHBondContact OE1-CB 3.37Å; E921-S938 PolarHBondContact OE1-OG 3.45Å; E921-S939 WeakPolarHBondContact CA-OG 3.34Å; E921-S940 PolarHBondContact OE1-OG 2.83Å
922	A	90.4	Very high	79.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.1	167.8	0	0	0	0	0	109.3	I552 M905 L908 A909 S939	I552-A922 HydrophobicContact CD1-CB 3.81Å; I552-A922 HydrophobicContact CG1-CB 3.56Å; M905-A922 HydrophobicContact CB-CB 4.24Å; M905-A922 WeakPolarHBondContact O-CB 3.48Å; M905-A922 HydrophobicContact SD-CB 4.2Å; L908-A922 HydrophobicContact CB-CB 4.16Å; A909-A922 HydrophobicContact CB-CB 4.04Å; A922-S939 PolarHBondContact N-OG 2.84Å; A922-S939 PolarHBondContact O-N 3.24Å; A922-S939 PolarHBondContact O-OG 3.16Å
923	V	91.6	Very high	81.1	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.5	-178.5	-58.1	0	0	0	0	113.1	N494 R551 I552 A553 R554 E921 L936 I937	N494-V923 HydrophobicContact CB-CG2 4.48Å; R551-V923 VanDerWaalsContact NH2-CG1 3.33Å; I552-V923 WeakPolarHBondContact O-CG2 3.33Å; I552-V923 PolarHBondContact O-N 2.69Å; A553-V923 CarbonylContact C-O 3.56Å; A553-V923 WeakPolarHBondContact CA-O 3.46Å; A553-V923 HydrophobicContact CB-CG2 4.2Å; R554-V923 PolarHBondContact N-O 3.14Å; E921-V923 HydrophobicContact CG-CG1 3.79Å; E921-V923 WeakPolarHBondContact OE1-CG1 3.49Å; V923-L936 HydrophobicContact CB-CD1 3.9Å; V923-L936 HydrophobicContact CB-CG 4.44Å; V923-L936 HydrophobicContact CG2-CD1 4.16Å; V923-I937 CarbonylContact C-O 3.47Å; V923-I937 VanDerWaalsContact CA-O 3.24Å; V923-I937 WeakPolarHBondContact CA-O 3.48Å
924	C	94.7	Very high	82.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.2	174.8	-171.5	0	0	0	0	110.4	R554 V901 M905 I937	R554-C924 HydrophobicContact CB-CB 4.07Å; R554-C924 CarbonylContact O-C 3.55Å; R554-C924 WeakPolarHBondContact O-CA 3.1Å; V901-C924 HydrophobicContact CG1-CB 3.45Å; V901-C924 VanDerWaalsContact CG1-CB 3.45Å; M905-C924 HydrophobicContact CE-CB 4.12Å; M905-C924 HydrophobicContact CG-CB 3.98Å; M905-C924 HydrophobicContact SD-CB 3.88Å; C924-I937 PolarHBondContact N-O 3.36Å; C924-I937 PolarHBondContact O-N 3.11Å
925	I	95	Very high	84.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.8	168.2	-57.9	157	0	0	0	107.1	L487 A490 N494 R554 T555 L556 V934 R935 L936	L487-I925 HydrophobicContact CD1-CG2 4.25Å; A490-I925 HydrophobicContact CB-CD1 4.31Å; A490-I925 HydrophobicContact CB-CG1 4.34Å; A490-I925 HydrophobicContact CB-CG2 3.82Å; A490-I925 VanDerWaalsContact O-CD1 3.23Å; A490-I925 WeakPolarHBondContact O-CD1 3.45Å; N494-I925 HydrophobicContact CB-CD1 4.04Å; R554-I925 PolarHBondContact O-N 3.27Å; T555-I925 WeakPolarHBondContact CA-O 3.34Å; T555-I925 HydrophobicContact CG2-CB 4.35Å; L556-I925 PolarHBondContact N-O 3.33Å; I925-V934 HydrophobicContact CG2-CG1 3.79Å; I925-R935 WeakPolarHBondContact CA-O 3.26Å; I925-L936 HydrophobicContact CG1-CD1 4.06Å
926	V	95.3	Very high	86.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.5	177.1	-173.4	0	0	0	0	109.1	L556 L558 Y898 V901 R935 I937	L556-V926 WeakPolarHBondContact O-CA 3.43Å; L558-V926 HydrophobicContact CD1-CG1 3.41Å; L558-V926 VanDerWaalsContact CD1-CG1 3.41Å; L558-V926 HydrophobicContact CG-CG1 3.81Å; Y898-V926 HydrophobicContact CD1-CG1 4.05Å; Y898-V926 HydrophobicContact CE1-CB 4.23Å; Y898-V926 HydrophobicContact CE1-CG1 3.59Å; V901-V926 HydrophobicContact CG1-CG2 4.18Å; V926-R935 PolarHBondContact N-O 3.44Å; V926-R935 PolarHBondContact O-N 3.23Å; V926-I937 HydrophobicContact CG2-CD1 3.86Å; V926-I937 HydrophobicContact CG2-CG1 4.22Å
927	A	95.7	Very high	88.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	109.4	-179.3	0	0	0	0	0	109.5	F483 L487 L556 V557 L558 S933 V934	F483-A927 HydrophobicContact CE2-CB 4.18Å; F483-A927 HydrophobicContact CZ-CB 3.84Å; L487-A927 HydrophobicContact CD1-CB 3.57Å; L487-A927 HydrophobicContact CD2-CB 4.16Å; L487-A927 HydrophobicContact CG-CB 4.45Å; L556-A927 PolarHBondContact O-N 3.31Å; V557-A927 CarbonylContact C-O 3.59Å; V557-A927 WeakPolarHBondContact CA-O 3.35Å; V557-A927 HydrophobicContact CG2-CB 4.46Å; L558-A927 PolarHBondContact N-O 2.8Å; A927-S933 CarbonylContact C-O 3.26Å; A927-S933 WeakPolarHBondContact CA-O 3.09Å; A927-V934 HydrophobicContact CB-CG2 4.38Å
928	N	94.1	Very high	89.7	Confident	4 Å²	4	29 Å²	29	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.8	-179.1	-179.7	8.4	0	0	0	110.7	L558 S930 D931 W932 S933	L558-N928 HydrophobicContact CB-CB 4.34Å; L558-N928 HydrophobicContact CD1-CB 4.39Å; N928-S930 VanDerWaalsContact C-N 3.25Å; N928-S930 PolarHBondContact O-N 3.5Å; N928-S930 VanDerWaalsContact OD1-CB 3.3Å; N928-S930 WeakPolarHBondContact OD1-CB 3.4Å; N928-S930 PolarHBondContact OD1-N 3Å; N928-S930 PolarHBondContact OD1-OG 3.11Å; N928-S930 VanDerWaalsContact OD1-OG 3.11Å; N928-D931 WeakPolarHBondContact CB-OD1 3.46Å; N928-D931 PolarHBondContact ND2-OD1 2.91Å; N928-D931 PolarHBondContact ND2-OD2 3.49Å; N928-D931 VanDerWaalsContact ND2-OD2 3.15Å; N928-W932 VanDerWaalsContact O-CA 3.29Å; N928-W932 WeakPolarHBondContact O-CA 3.22Å; N928-W932 PolarHBondContact O-N 3.41Å; N928-S933 PolarHBondContact N-O 3.14Å; N928-S933 PolarHBondContact O-N 3.26Å
929	T	93.9	Very high	90.6	Very high	11 Å²	11	25.3 Å²	25.3	7%	0.067	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.3	-179.3	59.6	0	0	0	0	113.4	F483 V557 L558 G559 F564 I568	F483-T929 HydrophobicContact CE1-CG2 4.3Å; F483-T929 HydrophobicContact CZ-CG2 4.03Å; V557-T929 HydrophobicContact CG1-CG2 4.02Å; L558-T929 WeakPolarHBondContact O-CB 3.45Å; L558-T929 WeakPolarHBondContact O-CG2 3.32Å; L558-T929 PolarHBondContact O-N 3.33Å; L558-T929 PolarHBondContact O-OG1 3.45Å; G559-T929 WeakPolarHBondContact CA-OG1 3.42Å; F564-T929 HydrophobicContact CD1-CG2 4.16Å; F564-T929 HydrophobicContact CE1-CG2 3.7Å; I568-T929 HydrophobicContact CD1-CG2 3.66Å
930	S	90.3	Very high	90.8	Very high	71 Å²	71	28.4 Å²	28.4	50%	0.497	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-38.3	179.1	-43	0	0	0	0	112.2	N928	N928-S930 VanDerWaalsContact C-N 3.25Å; N928-S930 PolarHBondContact O-N 3.5Å; N928-S930 VanDerWaalsContact OD1-CB 3.3Å; N928-S930 WeakPolarHBondContact OD1-CB 3.4Å; N928-S930 PolarHBondContact OD1-N 3Å; N928-S930 PolarHBondContact OD1-OG 3.11Å; N928-S930 VanDerWaalsContact OD1-OG 3.11Å
931	D	90.5	Very high	90.2	Very high	61 Å²	61	23.2 Å²	23.2	33%	0.326	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	2.8	-179.6	66.1	4.6	0	0	0	113	N928 S933 R935	N928-D931 WeakPolarHBondContact CB-OD1 3.46Å; N928-D931 PolarHBondContact ND2-OD1 2.91Å; N928-D931 PolarHBondContact ND2-OD2 3.49Å; N928-D931 VanDerWaalsContact ND2-OD2 3.15Å; D931-S933 PolarHBondContact O-N 2.98Å; D931-S933 VanDerWaalsContact OD1-CB 3.24Å; D931-S933 WeakPolarHBondContact OD1-CB 3.09Å; D931-S933 PolarHBondContact OD1-N 2.97Å; D931-S933 PolarHBondContact OD1-OG 3.32Å; D931-S933 PolarHBondContact OD2-OG 2.93Å; D931-R935 IonicContact OD2-CZ 2.9Å; D931-R935 IonicContact OD2-NH2 3.82Å; D931-R935 PolarHBondContact OD2-NH2 3.3Å
932	W	92.6	Very high	88.5	Confident	64 Å²	64	28.8 Å²	28.8	24%	0.242	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	32	-174.6	-55	107.5	0	0	0	113.6	C475 F483 F564 N928	C475-W932 HydrophobicContact CB-CH2 4.45Å; C475-W932 HydrophobicContact CB-CZ3 3.9Å; C475-W932 VanDerWaalsContact SG-CZ3 3.59Å; F483-W932 HydrophobicContact CB-CB 4.46Å; F483-W932 HydrophobicContact CB-CE3 3.73Å; F483-W932 HydrophobicContact CB-CZ3 4.42Å; F483-W932 AromaticContact CD1-CE3 3.87Å; F483-W932 HydrophobicContact CD1-CE3 3.87Å; F483-W932 HydrophobicContact CD1-CZ3 4.01Å; F483-W932 HydrophobicContact CD2-CB 4.24Å; F483-W932 AromaticContact CD2-CE3 3.99Å; F483-W932 HydrophobicContact CD2-CE3 3.99Å; F483-W932 HydrophobicContact CE1-CE3 4.43Å; F483-W932 HydrophobicContact CE1-CZ3 4.47Å; F483-W932 AromaticContact CG-CE3 3.61Å; F483-W932 HydrophobicContact CG-CE3 3.61Å; F483-W932 HydrophobicContact CG-CZ3 4.22Å; F564-W932 HydrophobicContact CE1-CH2 4.1Å; F564-W932 HydrophobicContact CE1-CZ3 4.18Å; F564-W932 AromaticContact CZ-CH2 3.76Å; F564-W932 HydrophobicContact CZ-CH2 3.76Å; F564-W932 AromaticContact CZ-CZ3 3.89Å; F564-W932 HydrophobicContact CZ-CZ3 3.89Å; N928-W932 VanDerWaalsContact O-CA 3.29Å; N928-W932 WeakPolarHBondContact O-CA 3.22Å; N928-W932 PolarHBondContact O-N 3.41Å
933	S	91.6	Very high	86.2	Confident	15 Å²	15	36.4 Å²	36.4	11%	0.105	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	143	177.2	72	0	0	0	0	112	A927 N928 D931 R935	A927-S933 CarbonylContact C-O 3.26Å; A927-S933 WeakPolarHBondContact CA-O 3.09Å; N928-S933 PolarHBondContact N-O 3.14Å; N928-S933 PolarHBondContact O-N 3.26Å; D931-S933 PolarHBondContact O-N 2.98Å; D931-S933 VanDerWaalsContact OD1-CB 3.24Å; D931-S933 WeakPolarHBondContact OD1-CB 3.09Å; D931-S933 PolarHBondContact OD1-N 2.97Å; D931-S933 PolarHBondContact OD1-OG 3.32Å; D931-S933 PolarHBondContact OD2-OG 2.93Å; S933-R935 PolarHBondContact OG-NE 3.32Å; S933-R935 PolarHBondContact OG-NH2 3.49Å
934	V	94.4	Very high	83.4	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.5	170.1	-175.3	0	0	0	0	107.4	F483 T486 L487 A490 I925 A927 C951 F952	F483-V934 HydrophobicContact CD2-CG2 3.79Å; F483-V934 HydrophobicContact CE2-CG2 3.73Å; T486-V934 HydrophobicContact CG2-CB 3.9Å; T486-V934 HydrophobicContact CG2-CG2 3.99Å; L487-V934 HydrophobicContact CB-CG2 4.06Å; L487-V934 HydrophobicContact CD1-CG1 4.15Å; L487-V934 HydrophobicContact CD1-CG2 4.5Å; A490-V934 HydrophobicContact CB-CG1 3.74Å; I925-V934 HydrophobicContact CG2-CG1 3.79Å; A927-V934 HydrophobicContact CB-CG2 4.38Å; V934-C951 WeakPolarHBondContact O-CA 3.32Å; V934-F952 HydrophobicContact CG1-CD2 3.91Å; V934-F952 PolarHBondContact O-N 3.42Å
935	R	91.9	Very high	80.6	Confident	48 Å²	48	46.7 Å²	46.7	18%	0.181	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.6	-172.5	-51.4	-176.1	-153.2	-169.7	4.2	111.4	Y898 I925 V926 D931 S933 N950	Y898-R935 PolarHBondContact OH-NH2 3.39Å; I925-R935 WeakPolarHBondContact CA-O 3.26Å; V926-R935 PolarHBondContact N-O 3.44Å; V926-R935 PolarHBondContact O-N 3.23Å; D931-R935 IonicContact OD2-CZ 2.9Å; D931-R935 IonicContact OD2-NH2 3.82Å; D931-R935 PolarHBondContact OD2-NH2 3.3Å; S933-R935 PolarHBondContact OG-NE 3.32Å; S933-R935 PolarHBondContact OG-NH2 3.49Å; R935-N950 VanDerWaalsContact CA-O 3.31Å; R935-N950 WeakPolarHBondContact CA-O 3.46Å
936	L	91	Very high	77.6	Confident	34 Å²	34	51.9 Å²	51.9	18%	0.178	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.6	169.1	-163.5	62.2	0	0	0	110.8	V923 I925 N950 F952	V923-L936 HydrophobicContact CB-CD1 3.9Å; V923-L936 HydrophobicContact CB-CG 4.44Å; V923-L936 HydrophobicContact CG2-CD1 4.16Å; I925-L936 HydrophobicContact CG1-CD1 4.06Å; L936-N950 PolarHBondContact N-O 3.09Å; L936-N950 VanDerWaalsContact N-O 3.13Å; L936-N950 PolarHBondContact O-ND2 2.84Å; L936-F952 HydrophobicContact CB-CE2 3.59Å; L936-F952 HydrophobicContact CB-CZ 3.84Å; L936-F952 HydrophobicContact CD1-CE2 4.12Å; L936-F952 HydrophobicContact CD1-CZ 3.94Å; L936-F952 HydrophobicContact CD2-CZ 4.05Å; L936-F952 HydrophobicContact CG-CE2 4.31Å; L936-F952 HydrophobicContact CG-CZ 4.16Å
937	I	91.2	Very high	74.9	Confident	21 Å²	21	54 Å²	54	11%	0.108	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.6	168.6	-61.4	-174.6	0	0	0	108	Y898 V901 H902 V923 C924 V926	Y898-I937 HydrophobicContact CD1-CD1 3.83Å; Y898-I937 HydrophobicContact CG-CD1 4.46Å; V901-I937 HydrophobicContact CB-CD1 4.11Å; V901-I937 HydrophobicContact CG1-CB 4.1Å; V901-I937 HydrophobicContact CG1-CD1 3.88Å; V901-I937 HydrophobicContact CG1-CG2 4.07Å; H902-I937 HydrophobicContact CB-CG2 3.7Å; V923-I937 CarbonylContact C-O 3.47Å; V923-I937 VanDerWaalsContact CA-O 3.24Å; V923-I937 WeakPolarHBondContact CA-O 3.48Å; C924-I937 PolarHBondContact N-O 3.36Å; C924-I937 PolarHBondContact O-N 3.11Å; V926-I937 HydrophobicContact CG2-CD1 3.86Å; V926-I937 HydrophobicContact CG2-CG1 4.22Å
938	S	89.3	Confident	72.5	Confident	9 Å²	9	61.2 Å²	61.2	6%	0.063	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.4	-177.1	162.6	0	0	0	0	111.6	E921 S940	E921-S938 WeakPolarHBondContact CG-OG 3.43Å; E921-S938 VanDerWaalsContact OE1-CB 3.23Å; E921-S938 WeakPolarHBondContact OE1-CB 3.37Å; E921-S938 PolarHBondContact OE1-OG 3.45Å; S938-S940 PolarHBondContact OG-N 3.08Å; S938-S940 VanDerWaalsContact OG-N 3.13Å; S938-S940 PolarHBondContact OG-OG 3.46Å
939	S	88	Confident	70.6	Confident	17 Å²	17	63.6 Å²	63.6	12%	0.119	36%	0.364	C	S	.	.	S	Bend	trans	-69.7	-28.2	173.6	63.1	0	0	0	0	114.3	M905 A909 E921 A922	M905-S939 WeakPolarHBondContact O-CB 3.49Å; A909-S939 WeakPolarHBondContact CB-OG 3.22Å; E921-S939 WeakPolarHBondContact CA-OG 3.34Å; A922-S939 PolarHBondContact N-OG 2.84Å; A922-S939 PolarHBondContact O-N 3.24Å; A922-S939 PolarHBondContact O-OG 3.16Å
940	S	79.6	Confident	69.2	Low	79 Å²	79	66 Å²	66	55%	0.552	38%	0.376	S	S	*	.	S	Bend	trans	-94.4	-20	-175.3	54.7	0	0	0	0	113.1	E921 S938 N942	E921-S940 PolarHBondContact OE1-OG 2.83Å; S938-S940 PolarHBondContact OG-N 3.08Å; S938-S940 VanDerWaalsContact OG-N 3.13Å; S938-S940 PolarHBondContact OG-OG 3.46Å; S940-N942 PolarHBondContact O-N 3.42Å
941	A	67.3	Low	68.6	Low	23 Å²	23	65.3 Å²	65.3	19%	0.19	37%	0.371	C	S	.	.			trans	-81.8	104.3	-178.6	0	0	0	0	0	110.8	Y943	A941-Y943 HydrophobicContact CB-CD2 3.71Å; A941-Y943 HydrophobicContact CB-CE2 4.45Å; A941-Y943 HydrophobicContact CB-CG 4.49Å; A941-Y943 PolarHBondContact O-N 3.07Å
942	N	49.3	Very low	68.3	Low	142 Å²	142	64 Å²	64	76%	0.759	36%	0.362	S	S	*	.			trans	-72.2	73.4	163.2	-74.8	-20.1	0	0	0	108.8	S940	S940-N942 PolarHBondContact O-N 3.42Å
943	Y	42.7	Very low	68.1	Low	160 Å²	160	65.8 Å²	65.8	63%	0.627	38%	0.38	S	S	*	.			trans	-111.1	123.3	-175.5	-95.2	-98	0	0	0	112.7	A941	A941-Y943 HydrophobicContact CB-CD2 3.71Å; A941-Y943 HydrophobicContact CB-CE2 4.45Å; A941-Y943 HydrophobicContact CB-CG 4.49Å; A941-Y943 PolarHBondContact O-N 3.07Å
944	C	33.5	Very low	68.1	Low	104 Å²	104	66.5 Å²	66.5	70%	0.703	38%	0.384	S	S	*	.			trans	-52.7	137	170.9	-70.7	0	0	0	0	111.5	T946	C944-T946 HydrophobicContact CB-CG2 4.49Å; C944-T946 PolarHBondContact O-N 2.72Å
945	F	34.6	Very low	68.1	Low	113 Å²	113	66.3 Å²	66.3	50%	0.496	38%	0.383	S	S	.	.			trans	-59.3	12	175.7	-100.2	-87.6	0	0	0	116.5	Y898 E899 G947	Y898-F945 HydrophobicContact CD2-CE1 4.03Å; Y898-F945 AromaticContact CG-CE1 3.94Å; Y898-F945 HydrophobicContact CG-CE1 3.94Å; E899-F945 HydrophobicContact CB-CZ 4.34Å; E899-F945 HydrophobicContact CG-CE1 4.37Å; E899-F945 HydrophobicContact CG-CE2 3.63Å; E899-F945 HydrophobicContact CG-CZ 3.53Å; F945-G947 VanDerWaalsContact C-N 3.32Å; F945-G947 PolarHBondContact O-N 2.94Å
946	T	33	Very low	68.3	Low	110 Å²	110	68.6 Å²	68.6	68%	0.675	39%	0.394	S	S	*	.			trans	-83.3	78.3	-177.9	59.1	0	0	0	0	110.6	C944 E948	C944-T946 HydrophobicContact CB-CG2 4.49Å; C944-T946 PolarHBondContact O-N 2.72Å; T946-E948 VanDerWaalsContact C-N 3.28Å; T946-E948 PolarHBondContact O-N 3.09Å
947	G	38.8	Very low	68.5	Low	43 Å²	43	68 Å²	68	44%	0.443	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-43.2	141.7	0	0	0	0	0	121.8	F945	F945-G947 VanDerWaalsContact C-N 3.32Å; F945-G947 PolarHBondContact O-N 2.94Å
948	E	45.6	Very low	68.8	Low	152 Å²	152	67 Å²	67	71%	0.71	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-21.8	-156.5	-68.1	-179.6	164	0	0	115.3	R737 T946	R737-E948 IonicContact NH2-OE2 3.31Å; R737-E948 PolarHBondContact NH2-OE2 3.19Å; T946-E948 VanDerWaalsContact C-N 3.28Å; T946-E948 PolarHBondContact O-N 3.09Å
949	G	53.1	Low	69.1	Low	55 Å²	55	67.6 Å²	67.6	57%	0.567	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.9	-169.3	0	0	0	0	0	116.5
950	N	65.5	Low	69.6	Low	61 Å²	61	68.9 Å²	68.9	33%	0.326	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	13.4	-169.2	-66.3	8.5	0	0	0	113.5	R935 L936	R935-N950 VanDerWaalsContact CA-O 3.31Å; R935-N950 WeakPolarHBondContact CA-O 3.46Å; L936-N950 PolarHBondContact N-O 3.09Å; L936-N950 VanDerWaalsContact N-O 3.13Å; L936-N950 PolarHBondContact O-ND2 2.84Å
951	C	77.7	Confident	70.4	Confident	57 Å²	57	65.1 Å²	65.1	39%	0.385	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-77.6	134.6	178.8	-65.9	0	0	0	0	110.3	V934	V934-C951 WeakPolarHBondContact O-CA 3.32Å
952	F	84.4	Confident	71.8	Confident	33 Å²	33	64 Å²	64	15%	0.145	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-69.7	149	172.3	-77.1	-88.9	0	0	0	110.9	T486 A490 M493 V934 L936	T486-F952 HydrophobicContact CG2-CB 3.65Å; T486-F952 WeakPolarHBondContact CG2-O 3.43Å; A490-F952 HydrophobicContact CB-CB 4.42Å; A490-F952 HydrophobicContact CB-CD1 3.87Å; A490-F952 HydrophobicContact CB-CD2 3.55Å; A490-F952 HydrophobicContact CB-CE1 3.92Å; A490-F952 HydrophobicContact CB-CE2 3.56Å; A490-F952 HydrophobicContact CB-CG 3.68Å; A490-F952 HydrophobicContact CB-CZ 3.77Å; M493-F952 HydrophobicContact CE-CE1 4.13Å; M493-F952 HydrophobicContact SD-CD1 4.05Å; M493-F952 HydrophobicContact SD-CE1 3.88Å; V934-F952 HydrophobicContact CG1-CD2 3.91Å; V934-F952 PolarHBondContact O-N 3.42Å; L936-F952 HydrophobicContact CB-CE2 3.59Å; L936-F952 HydrophobicContact CB-CZ 3.84Å; L936-F952 HydrophobicContact CD1-CE2 4.12Å; L936-F952 HydrophobicContact CD1-CZ 3.94Å; L936-F952 HydrophobicContact CD2-CZ 4.05Å; L936-F952 HydrophobicContact CG-CE2 4.31Å; L936-F952 HydrophobicContact CG-CZ 4.16Å
953	V	87	Confident	74	Confident	102 Å²	102	63.1 Å²	63.1	62%	0.618	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-102.3	137.3	166.9	179.3	0	0	0	0	107.3	S955	V953-S955 PolarHBondContact O-N 3.03Å
954	P	91.7	Very high	76.5	Confident	30 Å²	30	59.6 Å²	59.6	20%	0.195	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-64.2	134.5	176.9	26.4	-33.8	0	0	0	110.6	F482 T486	F482-P954 HydrophobicContact CB-CG 4.38Å; T486-P954 WeakPolarHBondContact OG1-CD 3.49Å
955	S	94.6	Very high	79.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-70.8	138.7	168.8	153.4	0	0	0	0	109.2	T489 V953 L957 I958 S959 D1023	T489-S955 PolarHBondContact OG1-N 2.82Å; V953-S955 PolarHBondContact O-N 3.03Å; S955-L957 PolarHBondContact OG-N 3.26Å; S955-I958 PolarHBondContact O-N 3.2Å; S955-I958 PolarHBondContact OG-N 2.87Å; S955-S959 WeakPolarHBondContact O-CB 3.28Å; S955-S959 PolarHBondContact O-N 3.3Å; S955-S959 PolarHBondContact O-OG 3.26Å; S955-D1023 WeakPolarHBondContact CB-OD1 3.3Å; S955-D1023 PolarHBondContact OG-OD1 3.18Å
956	K	95.5	Very high	82.1	Confident	95 Å²	95	52.1 Å²	52.1	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-41.2	175.5	-174.7	54.6	175.6	153	0	111.4	I958 S959 D960 D1020 D1023	K956-I958 VanDerWaalsContact C-N 3.3Å; K956-I958 PolarHBondContact O-N 3.38Å; K956-S959 PolarHBondContact O-N 2.85Å; K956-D960 WeakPolarHBondContact CE-OD1 3.45Å; K956-D960 IonicContact NZ-OD1 2.65Å; K956-D960 PolarHBondContact NZ-OD1 3.36Å; K956-D960 IonicContact NZ-OD2 3.96Å; K956-D960 WeakPolarHBondContact O-CB 3.27Å; K956-D960 PolarHBondContact O-N 3.01Å; K956-D1020 HydrophobicContact CB-CB 3.83Å; K956-D1020 HydrophobicContact CG-CB 4.33Å; K956-D1023 WeakPolarHBondContact CA-OD1 3.29Å; K956-D1023 PolarHBondContact N-OD1 3.04Å
957	L	96.6	Very high	85	Confident	22 Å²	22	52.1 Å²	52.1	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-42.7	174.8	-66.7	169.4	0	0	0	112.5	S955 M961 V989 K992 D1023 L1027	S955-L957 PolarHBondContact OG-N 3.26Å; L957-M961 WeakPolarHBondContact O-CB 3.25Å; L957-M961 PolarHBondContact O-N 3.35Å; L957-V989 HydrophobicContact CB-CG2 4.12Å; L957-V989 HydrophobicContact CD1-CG2 4.12Å; L957-K992 HydrophobicContact CD1-CD 3.8Å; L957-K992 HydrophobicContact CD2-CD 3.79Å; L957-K992 HydrophobicContact CG-CD 4.46Å; L957-D1023 HydrophobicContact CD1-CB 3.99Å; L957-D1023 HydrophobicContact CG-CB 4.31Å; L957-D1023 PolarHBondContact N-OD1 2.93Å; L957-L1027 HydrophobicContact CD1-CD2 4.07Å
958	I	97.2	Very high	87.6	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-73.8	-38.9	179	-59.1	-50.9	0	0	0	111.4	L488 L492 S955 K956 D960 M961 V962 V989 L1026	L488-I958 HydrophobicContact CB-CG2 3.69Å; L492-I958 HydrophobicContact CD1-CD1 3.44Å; L492-I958 VanDerWaalsContact CD1-CD1 3.44Å; L492-I958 HydrophobicContact CD1-CG1 4.23Å; S955-I958 PolarHBondContact O-N 3.2Å; S955-I958 PolarHBondContact OG-N 2.87Å; K956-I958 VanDerWaalsContact C-N 3.3Å; K956-I958 PolarHBondContact O-N 3.38Å; I958-D960 VanDerWaalsContact C-N 3.33Å; I958-D960 PolarHBondContact O-N 3.42Å; I958-M961 HydrophobicContact CD1-CE 4.31Å; I958-M961 HydrophobicContact CG2-CE 4.11Å; I958-M961 WeakPolarHBondContact O-CB 3.46Å; I958-M961 PolarHBondContact O-N 3.37Å; I958-V962 WeakPolarHBondContact O-CG2 3.44Å; I958-V962 PolarHBondContact O-N 2.99Å; I958-V989 HydrophobicContact CD1-CG2 4.29Å; I958-L1026 HydrophobicContact CD1-CD2 3.93Å; I958-L1026 HydrophobicContact CG1-CD2 3.66Å
959	S	96.3	Very high	89.7	Confident	21 Å²	21	46 Å²	46	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-43.3	175.6	-53.7	0	0	0	0	111.1	S955 K956 M961 V962 E963	S955-S959 WeakPolarHBondContact O-CB 3.28Å; S955-S959 PolarHBondContact O-N 3.3Å; S955-S959 PolarHBondContact O-OG 3.26Å; K956-S959 PolarHBondContact O-N 2.85Å; S959-M961 VanDerWaalsContact C-N 3.33Å; S959-M961 PolarHBondContact O-N 3.39Å; S959-V962 PolarHBondContact O-N 2.94Å; S959-E963 WeakPolarHBondContact O-CB 3.41Å; S959-E963 PolarHBondContact O-N 3.22Å
960	D	96.8	Very high	91.5	Very high	43 Å²	43	48 Å²	48	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-38.4	176.2	-68.6	-12.8	0	0	0	111.1	K956 I958 E963 Q964	K956-D960 WeakPolarHBondContact CE-OD1 3.45Å; K956-D960 IonicContact NZ-OD1 2.65Å; K956-D960 PolarHBondContact NZ-OD1 3.36Å; K956-D960 IonicContact NZ-OD2 3.96Å; K956-D960 WeakPolarHBondContact O-CB 3.27Å; K956-D960 PolarHBondContact O-N 3.01Å; I958-D960 VanDerWaalsContact C-N 3.33Å; I958-D960 PolarHBondContact O-N 3.42Å; D960-E963 PolarHBondContact O-N 2.67Å; D960-Q964 VanDerWaalsContact O-CB 3.24Å; D960-Q964 WeakPolarHBondContact O-CB 3.49Å; D960-Q964 WeakPolarHBondContact O-CG 3.41Å; D960-Q964 PolarHBondContact O-N 3.08Å
961	M	96.9	Very high	92.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-44.8	173.5	178.8	-173	70.1	0	0	111.9	L488 F575 L957 I958 S959 T965 L982 H985 L986	L488-M961 HydrophobicContact CD1-CE 4.28Å; F575-M961 HydrophobicContact CE1-CE 4.13Å; F575-M961 HydrophobicContact CZ-CE 4.22Å; L957-M961 WeakPolarHBondContact O-CB 3.25Å; L957-M961 PolarHBondContact O-N 3.35Å; I958-M961 HydrophobicContact CD1-CE 4.31Å; I958-M961 HydrophobicContact CG2-CE 4.11Å; I958-M961 WeakPolarHBondContact O-CB 3.46Å; I958-M961 PolarHBondContact O-N 3.37Å; S959-M961 VanDerWaalsContact C-N 3.33Å; S959-M961 PolarHBondContact O-N 3.39Å; M961-T965 VanDerWaalsContact O-CB 3.25Å; M961-T965 WeakPolarHBondContact O-CB 3.32Å; M961-T965 PolarHBondContact O-N 2.85Å; M961-T965 PolarHBondContact O-OG1 3.4Å; M961-L982 HydrophobicContact CE-CD2 4.43Å; M961-L982 HydrophobicContact CG-CD2 3.76Å; M961-L982 HydrophobicContact SD-CD2 3.9Å; M961-H985 HydrophobicContact CB-CB 3.88Å; M961-H985 HydrophobicContact CG-CB 3.59Å; M961-H985 HydrophobicContact SD-CB 3.83Å; M961-L986 HydrophobicContact SD-CD2 4.42Å
962	V	96.6	Very high	93	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-47.7	178.8	176.4	0	0	0	0	110.4	F468 A472 D476 L484 L488 I958 S959 T965 K966	F468-V962 HydrophobicContact CE1-CG1 4.24Å; F468-V962 HydrophobicContact CZ-CB 4.41Å; F468-V962 HydrophobicContact CZ-CG1 4.29Å; F468-V962 HydrophobicContact CZ-CG2 4.02Å; A472-V962 HydrophobicContact CB-CG1 3.95Å; D476-V962 HydrophobicContact CB-CG1 4.31Å; D476-V962 VanDerWaalsContact OD2-CG1 3.25Å; D476-V962 WeakPolarHBondContact OD2-CG1 3.49Å; L484-V962 HydrophobicContact CD2-CG1 4.11Å; L488-V962 HydrophobicContact CD1-CG2 3.81Å; I958-V962 WeakPolarHBondContact O-CG2 3.44Å; I958-V962 PolarHBondContact O-N 2.99Å; S959-V962 PolarHBondContact O-N 2.94Å; V962-T965 PolarHBondContact O-N 3.48Å; V962-K966 WeakPolarHBondContact O-CB 3.17Å; V962-K966 PolarHBondContact O-N 2.98Å
963	E	95.1	Very high	93.2	Very high	123 Å²	123	58.9 Å²	58.9	58%	0.575	29%	0.286	S	S	*	.	H	α-helix	trans	-63.2	-46.4	-179.4	-173	173.3	-168.4	0	0	111.9	S959 D960 K966 F967	S959-E963 WeakPolarHBondContact O-CB 3.41Å; S959-E963 PolarHBondContact O-N 3.22Å; D960-E963 PolarHBondContact O-N 2.67Å; E963-K966 PolarHBondContact O-N 2.81Å; E963-F967 WeakPolarHBondContact O-CB 3.09Å; E963-F967 PolarHBondContact O-N 3.24Å
964	Q	95.1	Very high	93.4	Very high	85 Å²	85	57.4 Å²	57.4	40%	0.397	28%	0.28	S	S	.	.	H	α-helix	trans	-64.8	-43.4	177.6	-71.9	179.6	44.9	0	0	111.6	D960 K966 F967 L968 H985	D960-Q964 VanDerWaalsContact O-CB 3.24Å; D960-Q964 WeakPolarHBondContact O-CB 3.49Å; D960-Q964 WeakPolarHBondContact O-CG 3.41Å; D960-Q964 PolarHBondContact O-N 3.08Å; Q964-K966 VanDerWaalsContact C-N 3.33Å; Q964-K966 PolarHBondContact O-N 2.8Å; Q964-F967 PolarHBondContact O-N 3.41Å; Q964-L968 VanDerWaalsContact O-CG 3.27Å; Q964-L968 WeakPolarHBondContact O-CG 3.42Å; Q964-L968 PolarHBondContact O-N 3.19Å; Q964-H985 VanDerWaalsContact CD-NE2 3.29Å; Q964-H985 PolarHBondContact NE2-NE2 3.47Å; Q964-H985 PolarHBondContact OE1-CE1 3.21Å; Q964-H985 PolarHBondContact OE1-NE2 3.24Å; Q964-H985 VanDerWaalsContact OE1-NE2 3.13Å
965	T	94.4	Very high	93.3	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-42.2	178.3	-57.4	0	0	0	0	110.9	L465 F468 M961 V962 L968 M969 N981 L982	L465-T965 HydrophobicContact CD2-CG2 4.27Å; F468-T965 HydrophobicContact CD1-CG2 4.13Å; F468-T965 HydrophobicContact CE1-CG2 3.9Å; M961-T965 VanDerWaalsContact O-CB 3.25Å; M961-T965 WeakPolarHBondContact O-CB 3.32Å; M961-T965 PolarHBondContact O-N 2.85Å; M961-T965 PolarHBondContact O-OG1 3.4Å; V962-T965 PolarHBondContact O-N 3.48Å; T965-L968 PolarHBondContact O-N 2.94Å; T965-M969 WeakPolarHBondContact O-CB 3.39Å; T965-M969 VanDerWaalsContact O-CG 3.3Å; T965-M969 WeakPolarHBondContact O-CG 3.43Å; T965-M969 PolarHBondContact O-N 2.97Å; T965-N981 PolarHBondContact OG1-ND2 3.27Å; T965-L982 HydrophobicContact CG2-CD1 4.41Å; T965-L982 HydrophobicContact CG2-CD2 4.03Å; T965-L982 HydrophobicContact CG2-CG 4.14Å; T965-L982 VanDerWaalsContact OG1-CD2 3.28Å; T965-L982 WeakPolarHBondContact OG1-CD2 3.19Å
966	K	92.9	Very high	93	Very high	61 Å²	61	63.5 Å²	63.5	27%	0.265	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-47.9	172.5	169	174.7	165.3	176.2	0	111.6	A472 N473 V962 E963 Q964 L968 M969 E970	A472-K966 HydrophobicContact CB-CD 4.44Å; N473-K966 WeakPolarHBondContact OD1-CE 2.77Å; N473-K966 PolarHBondContact OD1-NZ 2.85Å; V962-K966 WeakPolarHBondContact O-CB 3.17Å; V962-K966 PolarHBondContact O-N 2.98Å; E963-K966 PolarHBondContact O-N 2.81Å; Q964-K966 VanDerWaalsContact C-N 3.33Å; Q964-K966 PolarHBondContact O-N 2.8Å; K966-L968 PolarHBondContact O-N 2.77Å; K966-M969 WeakPolarHBondContact O-CB 2.91Å; K966-M969 PolarHBondContact O-N 2.81Å; K966-E970 WeakPolarHBondContact CE-OE1 3.33Å; K966-E970 WeakPolarHBondContact O-CG 3.34Å; K966-E970 PolarHBondContact O-N 3.43Å
967	F	93.6	Very high	92.9	Very high	110 Å²	110	63.4 Å²	63.4	48%	0.482	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-45.9	178.2	174.9	-97.8	0	0	0	112.5	E963 Q964 M969 E970 K971	E963-F967 WeakPolarHBondContact O-CB 3.09Å; E963-F967 PolarHBondContact O-N 3.24Å; Q964-F967 PolarHBondContact O-N 3.41Å; F967-M969 VanDerWaalsContact C-N 3.26Å; F967-M969 PolarHBondContact O-N 2.94Å; F967-E970 PolarHBondContact O-N 3.45Å; F967-K971 HydrophobicContact CE1-CG 4.1Å; F967-K971 VanDerWaalsContact CE2-CE 3.49Å; F967-K971 HydrophobicContact CE2-CG 4.33Å; F967-K971 HydrophobicContact CZ-CD 4.44Å; F967-K971 HydrophobicContact CZ-CG 4.01Å; F967-K971 WeakPolarHBondContact O-CG 3.46Å; F967-K971 PolarHBondContact O-N 3.47Å; F967-K971 VanDerWaalsContact O-N 3.1Å
968	L	92.6	Very high	92.7	Very high	32 Å²	32	62.4 Å²	62.4	17%	0.168	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-38.1	178.5	-67.6	172.6	0	0	0	111.7	Q964 T965 K966 K971 L973 N981	Q964-L968 VanDerWaalsContact O-CG 3.27Å; Q964-L968 WeakPolarHBondContact O-CG 3.42Å; Q964-L968 PolarHBondContact O-N 3.19Å; T965-L968 PolarHBondContact O-N 2.94Å; K966-L968 PolarHBondContact O-N 2.77Å; L968-K971 PolarHBondContact O-N 3.29Å; L968-L973 HydrophobicContact CB-CD1 4.04Å; L968-L973 HydrophobicContact CD2-CD1 3.36Å; L968-L973 HydrophobicContact CG-CD1 4.28Å; L968-L973 PolarHBondContact O-N 3.17Å; L968-N981 HydrophobicContact CD1-CB 3.61Å
969	M	89.7	Confident	92.6	Very high	33 Å²	33	63.2 Å²	63.2	16%	0.163	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-41	175.6	-76.1	-168.6	60.5	0	0	113.4	L465 N469 T965 K966 F967 K971 H972	L465-M969 HydrophobicContact CB-CE 3.77Å; L465-M969 HydrophobicContact CB-SD 3.67Å; L465-M969 HydrophobicContact CD2-SD 3.99Å; L465-M969 HydrophobicContact CG-SD 4.39Å; L465-M969 WeakPolarHBondContact O-CE 3.41Å; N469-M969 HydrophobicContact CB-CE 3.44Å; N469-M969 VanDerWaalsContact CB-CE 3.44Å; N469-M969 HydrophobicContact CB-SD 3.71Å; T965-M969 WeakPolarHBondContact O-CB 3.39Å; T965-M969 VanDerWaalsContact O-CG 3.3Å; T965-M969 WeakPolarHBondContact O-CG 3.43Å; T965-M969 PolarHBondContact O-N 2.97Å; K966-M969 WeakPolarHBondContact O-CB 2.91Å; K966-M969 PolarHBondContact O-N 2.81Å; F967-M969 VanDerWaalsContact C-N 3.26Å; F967-M969 PolarHBondContact O-N 2.94Å; M969-K971 PolarHBondContact O-N 3.43Å; M969-H972 PolarHBondContact O-N 2.88Å
970	E	90.8	Very high	92.4	Very high	98 Å²	98	63.6 Å²	63.6	46%	0.458	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-25.9	174.8	-73.2	176.4	179.8	0	0	112.3	K966 F967 H972	K966-E970 WeakPolarHBondContact CE-OE1 3.33Å; K966-E970 WeakPolarHBondContact O-CG 3.34Å; K966-E970 PolarHBondContact O-N 3.43Å; F967-E970 PolarHBondContact O-N 3.45Å; E970-H972 VanDerWaalsContact C-N 3.25Å; E970-H972 PolarHBondContact O-N 2.9Å
971	K	91.1	Very high	92.3	Very high	129 Å²	129	62.6 Å²	62.6	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	6.8	172.6	-62.5	-55.3	-179.5	-169.5	0	114.4	F967 L968 M969 L973	F967-K971 HydrophobicContact CE1-CG 4.1Å; F967-K971 VanDerWaalsContact CE2-CE 3.49Å; F967-K971 HydrophobicContact CE2-CG 4.33Å; F967-K971 HydrophobicContact CZ-CD 4.44Å; F967-K971 HydrophobicContact CZ-CG 4.01Å; F967-K971 WeakPolarHBondContact O-CG 3.46Å; F967-K971 PolarHBondContact O-N 3.47Å; F967-K971 VanDerWaalsContact O-N 3.1Å; L968-K971 PolarHBondContact O-N 3.29Å; M969-K971 PolarHBondContact O-N 3.43Å; K971-L973 HydrophobicContact CB-CD1 4.39Å; K971-L973 HydrophobicContact CB-CG 4.28Å; K971-L973 PolarHBondContact O-N 3.07Å
972	H	85.1	Confident	92.2	Very high	175 Å²	175	62.6 Å²	62.6	81%	0.81	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	36	177.8	-57	-58.9	0	0	0	113.7	M969 E970	M969-H972 PolarHBondContact O-N 2.88Å; E970-H972 VanDerWaalsContact C-N 3.25Å; E970-H972 PolarHBondContact O-N 2.9Å
973	L	88.1	Confident	92.1	Very high	76 Å²	76	65.1 Å²	65.1	40%	0.398	33%	0.325	S	S	.	.			trans	-70.5	165.3	173.7	-68.8	167.8	0	0	0	111.3	L968 K971 L977	L968-L973 HydrophobicContact CB-CD1 4.04Å; L968-L973 HydrophobicContact CD2-CD1 3.36Å; L968-L973 HydrophobicContact CG-CD1 4.28Å; L968-L973 PolarHBondContact O-N 3.17Å; K971-L973 HydrophobicContact CB-CD1 4.39Å; K971-L973 HydrophobicContact CB-CG 4.28Å; K971-L973 PolarHBondContact O-N 3.07Å; L973-L977 HydrophobicContact CB-CD2 4.14Å; L973-L977 HydrophobicContact CD1-CD2 4.01Å; L973-L977 HydrophobicContact CD2-CD2 4.2Å; L973-L977 HydrophobicContact CG-CD2 4.35Å
974	S	90.6	Very high	92.1	Very high	70 Å²	70	62.7 Å²	62.7	49%	0.49	32%	0.316	S	S	.	.			trans	-61.3	146.1	-179.3	69.6	0	0	0	0	111.5	E976 L977 C978	S974-E976 PolarHBondContact O-N 2.86Å; S974-L977 PolarHBondContact O-N 2.77Å; S974-L977 VanDerWaalsContact O-N 3.14Å; S974-L977 VanDerWaalsContact OG-CB 3.32Å; S974-L977 WeakPolarHBondContact OG-CB 3.5Å; S974-L977 PolarHBondContact OG-N 3.44Å; S974-C978 PolarHBondContact O-N 2.86Å; S974-C978 VanDerWaalsContact O-N 3.13Å; S974-C978 PolarHBondContact O-SG 3.35Å; S974-C978 VanDerWaalsContact O-SG 3.38Å
975	T	89.7	Confident	92.2	Very high	44 Å²	44	59.9 Å²	59.9	27%	0.27	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-36.4	178	55.4	0	0	0	0	111.5	A462 L465 L977 C978 M979	A462-T975 HydrophobicContact CB-CG2 3.96Å; L465-T975 HydrophobicContact CD1-CG2 3.94Å; T975-L977 VanDerWaalsContact C-N 3.34Å; T975-L977 PolarHBondContact O-N 3.35Å; T975-C978 PolarHBondContact O-N 3.19Å; T975-M979 WeakPolarHBondContact O-CB 3.4Å; T975-M979 VanDerWaalsContact O-CG 3.3Å; T975-M979 WeakPolarHBondContact O-CG 3.46Å; T975-M979 PolarHBondContact O-N 3.21Å
976	E	89.4	Confident	92.3	Very high	115 Å²	115	60 Å²	60	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-40.3	175.4	-67.6	178.9	-176.5	0	0	111.8	S974 G980	S974-E976 PolarHBondContact O-N 2.86Å; E976-G980 PolarHBondContact O-N 3.12Å
977	L	92	Very high	92.3	Very high	92 Å²	92	58.6 Å²	58.6	48%	0.482	30%	0.303	S	S	.	.	H	α-helix	trans	-68.6	-40.5	177.2	-175.3	68.6	0	0	0	111.7	L973 S974 T975 G980 N981	L973-L977 HydrophobicContact CB-CD2 4.14Å; L973-L977 HydrophobicContact CD1-CD2 4.01Å; L973-L977 HydrophobicContact CD2-CD2 4.2Å; L973-L977 HydrophobicContact CG-CD2 4.35Å; S974-L977 PolarHBondContact O-N 2.77Å; S974-L977 VanDerWaalsContact O-N 3.14Å; S974-L977 VanDerWaalsContact OG-CB 3.32Å; S974-L977 WeakPolarHBondContact OG-CB 3.5Å; S974-L977 PolarHBondContact OG-N 3.44Å; T975-L977 VanDerWaalsContact C-N 3.34Å; T975-L977 PolarHBondContact O-N 3.35Å; L977-G980 PolarHBondContact O-N 3.12Å; L977-N981 PolarHBondContact O-N 3.12Å
978	C	93.5	Very high	92.4	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-39.9	178.4	-60.6	0	0	0	0	111.9	L465 S974 T975 N981 L982	L465-C978 HydrophobicContact CD1-CB 3.59Å; L465-C978 HydrophobicContact CD2-CB 3.71Å; L465-C978 HydrophobicContact CG-CB 4.31Å; S974-C978 PolarHBondContact O-N 2.86Å; S974-C978 VanDerWaalsContact O-N 3.13Å; S974-C978 PolarHBondContact O-SG 3.35Å; S974-C978 VanDerWaalsContact O-SG 3.38Å; T975-C978 PolarHBondContact O-N 3.19Å; C978-N981 WeakPolarHBondContact O-CB 3.31Å; C978-N981 PolarHBondContact O-N 3.04Å; C978-L982 PolarHBondContact O-N 2.96Å
979	M	93.8	Very high	92.5	Very high	18 Å²	18	55.3 Å²	55.3	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-41.1	172.8	-69.3	-59.7	-67.9	0	0	111.3	L448 D461 F464 L465 Y574 T975 N981 L982 E983	L448-M979 HydrophobicContact CD1-CE 3.99Å; D461-M979 HydrophobicContact CB-CG 4.17Å; F464-M979 HydrophobicContact CD1-CE 4.15Å; F464-M979 HydrophobicContact CD1-SD 3.53Å; F464-M979 VanDerWaalsContact CD1-SD 3.53Å; F464-M979 HydrophobicContact CE1-CE 4.34Å; F464-M979 HydrophobicContact CE1-SD 3.91Å; F464-M979 HydrophobicContact CG-SD 4.5Å; L465-M979 HydrophobicContact CD1-CG 4.24Å; L465-M979 HydrophobicContact CD1-SD 4.46Å; L465-M979 HydrophobicContact CD2-SD 4.05Å; L465-M979 HydrophobicContact CG-CG 4.48Å; L465-M979 HydrophobicContact CG-SD 4.06Å; Y574-M979 HydrophobicContact CD2-CE 4.21Å; Y574-M979 HydrophobicContact CE2-CE 3.48Å; Y574-M979 VanDerWaalsContact CE2-CE 3.48Å; T975-M979 WeakPolarHBondContact O-CB 3.4Å; T975-M979 VanDerWaalsContact O-CG 3.3Å; T975-M979 WeakPolarHBondContact O-CG 3.46Å; T975-M979 PolarHBondContact O-N 3.21Å; M979-N981 VanDerWaalsContact C-N 3.32Å; M979-N981 PolarHBondContact O-N 3.47Å; M979-L982 PolarHBondContact O-N 3.11Å; M979-L982 HydrophobicContact SD-CD1 4.34Å; M979-E983 PolarHBondContact O-N 2.91Å
980	G	92.9	Very high	92.7	Very high	28 Å²	28	54 Å²	54	29%	0.289	28%	0.284	S	S	.	.	H	α-helix	trans	-58.8	-42.2	173.2	0	0	0	0	0	112.5	E976 L977 L982 E983 D984	E976-G980 PolarHBondContact O-N 3.12Å; L977-G980 PolarHBondContact O-N 3.12Å; G980-L982 VanDerWaalsContact C-N 3.29Å; G980-L982 PolarHBondContact O-N 3.35Å; G980-E983 PolarHBondContact O-N 2.95Å; G980-E983 VanDerWaalsContact O-N 3.12Å; G980-D984 VanDerWaalsContact O-CG 3.31Å; G980-D984 PolarHBondContact O-N 2.62Å
981	N	93.8	Very high	92.7	Very high	22 Å²	22	52.6 Å²	52.6	12%	0.118	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-40	176.5	-177.4	71.9	0	0	0	112.9	T965 L968 L977 C978 M979 D984 H985	T965-N981 PolarHBondContact OG1-ND2 3.27Å; L968-N981 HydrophobicContact CD1-CB 3.61Å; L977-N981 PolarHBondContact O-N 3.12Å; C978-N981 WeakPolarHBondContact O-CB 3.31Å; C978-N981 PolarHBondContact O-N 3.04Å; M979-N981 VanDerWaalsContact C-N 3.32Å; M979-N981 PolarHBondContact O-N 3.47Å; N981-D984 PolarHBondContact O-N 2.68Å; N981-H985 PolarHBondContact O-N 2.79Å; N981-H985 VanDerWaalsContact O-N 3.1Å; N981-H985 PolarHBondContact O-ND1 2.94Å; N981-H985 PolarHBondContact OD1-CE1 2.94Å; N981-H985 VanDerWaalsContact OD1-CE1 3.27Å; N981-H985 PolarHBondContact OD1-ND1 3.04Å
982	L	95.7	Very high	92.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-44.2	176.1	-70.2	171.9	0	0	0	111.5	F464 F468 Y574 M961 T965 C978 M979 G980 H985 L986	F464-L982 HydrophobicContact CE1-CD1 3.71Å; F464-L982 HydrophobicContact CZ-CD1 4.42Å; F468-L982 HydrophobicContact CZ-CD2 4.31Å; Y574-L982 HydrophobicContact CE1-CD1 4.43Å; M961-L982 HydrophobicContact CE-CD2 4.43Å; M961-L982 HydrophobicContact CG-CD2 3.76Å; M961-L982 HydrophobicContact SD-CD2 3.9Å; T965-L982 HydrophobicContact CG2-CD1 4.41Å; T965-L982 HydrophobicContact CG2-CD2 4.03Å; T965-L982 HydrophobicContact CG2-CG 4.14Å; T965-L982 VanDerWaalsContact OG1-CD2 3.28Å; T965-L982 WeakPolarHBondContact OG1-CD2 3.19Å; C978-L982 PolarHBondContact O-N 2.96Å; M979-L982 PolarHBondContact O-N 3.11Å; M979-L982 HydrophobicContact SD-CD1 4.34Å; G980-L982 VanDerWaalsContact C-N 3.29Å; G980-L982 PolarHBondContact O-N 3.35Å; L982-H985 PolarHBondContact O-N 3.36Å; L982-L986 WeakPolarHBondContact O-CG 3.4Å; L982-L986 PolarHBondContact O-N 3.22Å; L982-L986 VanDerWaalsContact O-N 3.14Å
983	E	94.7	Very high	93.1	Very high	54 Å²	54	39.9 Å²	39.9	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-39.4	177.4	-65.7	-65.4	169.9	0	0	112.2	Y574 R577 M979 G980 H985 L986 A987	Y574-E983 PolarHBondContact OH-OE1 3.12Å; R577-E983 IonicContact CZ-OE1 3.53Å; R577-E983 IonicContact CZ-OE2 2.75Å; R577-E983 IonicContact NH1-OE1 2.65Å; R577-E983 PolarHBondContact NH1-OE1 3.46Å; R577-E983 IonicContact NH1-OE2 3.26Å; R577-E983 PolarHBondContact NH1-OE2 3Å; R577-E983 IonicContact NH2-OE1 3.94Å; R577-E983 PolarHBondContact NH2-OE1 2.98Å; R577-E983 IonicContact NH2-OE2 3.44Å; R577-E983 PolarHBondContact NH2-OE2 3.44Å; M979-E983 PolarHBondContact O-N 2.91Å; G980-E983 PolarHBondContact O-N 2.95Å; G980-E983 VanDerWaalsContact O-N 3.12Å; E983-H985 VanDerWaalsContact C-N 3.34Å; E983-H985 PolarHBondContact O-N 2.92Å; E983-L986 PolarHBondContact O-N 3.29Å; E983-A987 WeakPolarHBondContact O-CB 3.36Å; E983-A987 PolarHBondContact O-N 2.73Å
984	D	95	Very high	93.1	Very high	72 Å²	72	37.9 Å²	37.9	39%	0.385	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-40.7	177.9	-70.7	-17.3	0	0	0	111.2	G980 N981 A987 D988	G980-D984 VanDerWaalsContact O-CG 3.31Å; G980-D984 PolarHBondContact O-N 2.62Å; N981-D984 PolarHBondContact O-N 2.68Å; D984-A987 PolarHBondContact O-N 3.02Å; D984-D988 PolarHBondContact O-N 3.22Å
985	H	96.3	Very high	93	Very high	27 Å²	27	36.3 Å²	36.3	13%	0.125	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-41.9	174.5	-79.8	79	0	0	0	112.3	M961 Q964 N981 L982 E983 A987 D988 V989	M961-H985 HydrophobicContact CB-CB 3.88Å; M961-H985 HydrophobicContact CG-CB 3.59Å; M961-H985 HydrophobicContact SD-CB 3.83Å; Q964-H985 VanDerWaalsContact CD-NE2 3.29Å; Q964-H985 PolarHBondContact NE2-NE2 3.47Å; Q964-H985 PolarHBondContact OE1-CE1 3.21Å; Q964-H985 PolarHBondContact OE1-NE2 3.24Å; Q964-H985 VanDerWaalsContact OE1-NE2 3.13Å; N981-H985 PolarHBondContact O-N 2.79Å; N981-H985 VanDerWaalsContact O-N 3.1Å; N981-H985 PolarHBondContact O-ND1 2.94Å; N981-H985 PolarHBondContact OD1-CE1 2.94Å; N981-H985 VanDerWaalsContact OD1-CE1 3.27Å; N981-H985 PolarHBondContact OD1-ND1 3.04Å; L982-H985 PolarHBondContact O-N 3.36Å; E983-H985 VanDerWaalsContact C-N 3.34Å; E983-H985 PolarHBondContact O-N 2.92Å; H985-A987 VanDerWaalsContact C-N 3.31Å; H985-A987 PolarHBondContact O-N 2.98Å; H985-D988 PolarHBondContact O-N 3.49Å; H985-V989 WeakPolarHBondContact O-CG2 3.13Å; H985-V989 PolarHBondContact O-N 3.22Å
986	L	96.5	Very high	92.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-39.5	175.3	-67.4	176.8	0	0	0	111.1	L492 W498 V502 M961 L982 E983 D988 V989 Y990	L492-L986 HydrophobicContact CD1-CD2 3.78Å; L492-L986 HydrophobicContact CD2-CD2 3.9Å; W498-L986 HydrophobicContact CE3-CB 4.06Å; W498-L986 HydrophobicContact CE3-CD2 4.11Å; W498-L986 HydrophobicContact CE3-CG 4.46Å; W498-L986 HydrophobicContact CH2-CD2 4.46Å; W498-L986 HydrophobicContact CZ3-CB 3.85Å; W498-L986 HydrophobicContact CZ3-CD2 4.08Å; W498-L986 HydrophobicContact CZ3-CG 4.5Å; W498-L986 WeakPolarHBondContact CZ3-O 3.44Å; V502-L986 HydrophobicContact CG1-CB 3.94Å; M961-L986 HydrophobicContact SD-CD2 4.42Å; L982-L986 WeakPolarHBondContact O-CG 3.4Å; L982-L986 PolarHBondContact O-N 3.22Å; L982-L986 VanDerWaalsContact O-N 3.14Å; E983-L986 PolarHBondContact O-N 3.29Å; L986-D988 VanDerWaalsContact C-N 3.33Å; L986-D988 PolarHBondContact O-N 3.25Å; L986-V989 PolarHBondContact O-N 3.4Å; L986-Y990 PolarHBondContact O-N 3.4Å
987	A	94.2	Very high	92.6	Very high	33 Å²	33	29.5 Å²	29.5	27%	0.273	18%	0.177	S	C	.	.	H	α-helix	trans	-64.8	-34.7	174.5	0	0	0	0	0	112.8	E983 D984 H985 Y990 S991	E983-A987 WeakPolarHBondContact O-CB 3.36Å; E983-A987 PolarHBondContact O-N 2.73Å; D984-A987 PolarHBondContact O-N 3.02Å; H985-A987 VanDerWaalsContact C-N 3.31Å; H985-A987 PolarHBondContact O-N 2.98Å; A987-Y990 PolarHBondContact O-N 3.13Å; A987-S991 WeakPolarHBondContact O-CB 3.14Å; A987-S991 PolarHBondContact O-N 2.97Å; A987-S991 PolarHBondContact O-OG 2.79Å
988	D	94.6	Very high	92.1	Very high	70 Å²	70	28.9 Å²	28.9	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-66.8	-44.3	173.5	-173.4	41.7	0	0	0	111.8	D984 H985 L986 Y990 S991 K992	D984-D988 PolarHBondContact O-N 3.22Å; H985-D988 PolarHBondContact O-N 3.49Å; L986-D988 VanDerWaalsContact C-N 3.33Å; L986-D988 PolarHBondContact O-N 3.25Å; D988-Y990 VanDerWaalsContact C-N 3.27Å; D988-Y990 PolarHBondContact O-N 3.03Å; D988-S991 PolarHBondContact O-N 2.95Å; D988-S991 VanDerWaalsContact O-N 3.09Å; D988-K992 WeakPolarHBondContact O-CG 3.39Å; D988-K992 PolarHBondContact O-N 2.83Å; D988-K992 WeakPolarHBondContact OD2-CE 3.39Å
989	V	95.3	Very high	91.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-55.8	-44.5	173.4	175.9	0	0	0	0	110.7	W498 L957 I958 H985 L986 S993 L1026 L1027 V1030	W498-V989 HydrophobicContact CH2-CB 4.05Å; W498-V989 HydrophobicContact CH2-CG1 3.76Å; W498-V989 HydrophobicContact CZ2-CG1 4.29Å; L957-V989 HydrophobicContact CB-CG2 4.12Å; L957-V989 HydrophobicContact CD1-CG2 4.12Å; I958-V989 HydrophobicContact CD1-CG2 4.29Å; H985-V989 WeakPolarHBondContact O-CG2 3.13Å; H985-V989 PolarHBondContact O-N 3.22Å; L986-V989 PolarHBondContact O-N 3.4Å; V989-S993 PolarHBondContact O-N 3.35Å; V989-L1026 HydrophobicContact CG1-CD2 4Å; V989-L1026 HydrophobicContact CG1-CG 4.13Å; V989-L1027 HydrophobicContact CG1-CD2 4.01Å; V989-L1027 WeakPolarHBondContact O-CD2 3.48Å; V989-V1030 HydrophobicContact CG1-CG2 4.38Å
990	Y	93.4	Very high	90.6	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.027	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-47.4	174.7	173.2	-106	0	0	0	112.1	V499 V502 A503 P504 L986 A987 D988 K992 S993 C994 V1030	V499-Y990 HydrophobicContact CG1-CD2 3.65Å; V499-Y990 HydrophobicContact CG1-CE2 3.88Å; V502-Y990 HydrophobicContact CG2-CG 4.48Å; A503-Y990 HydrophobicContact CB-CD1 4.44Å; A503-Y990 HydrophobicContact CB-CE1 3.9Å; A503-Y990 HydrophobicContact CB-CE2 3.99Å; P504-Y990 VanDerWaalsContact CD-CE1 3.46Å; L986-Y990 PolarHBondContact O-N 3.4Å; A987-Y990 PolarHBondContact O-N 3.13Å; D988-Y990 VanDerWaalsContact C-N 3.27Å; D988-Y990 PolarHBondContact O-N 3.03Å; Y990-K992 VanDerWaalsContact C-N 3.33Å; Y990-K992 PolarHBondContact O-N 2.92Å; Y990-S993 WeakPolarHBondContact O-CB 3.28Å; Y990-S993 PolarHBondContact O-N 2.9Å; Y990-S993 VanDerWaalsContact O-N 3.09Å; Y990-S993 PolarHBondContact O-OG 3.37Å; Y990-C994 VanDerWaalsContact CZ-SG 3.54Å; Y990-C994 PolarHBondContact O-N 2.92Å; Y990-C994 PolarHBondContact O-SG 2.89Å; Y990-V1030 HydrophobicContact CD2-CG1 4.26Å
991	S	92.3	Very high	89.6	Confident	68 Å²	68	31.7 Å²	31.7	48%	0.476	19%	0.186	S	C	.	.	H	α-helix	trans	-61.4	-40.8	-179.3	-58.8	0	0	0	0	112.3	A987 D988 C994 A995	A987-S991 WeakPolarHBondContact O-CB 3.14Å; A987-S991 PolarHBondContact O-N 2.97Å; A987-S991 PolarHBondContact O-OG 2.79Å; D988-S991 PolarHBondContact O-N 2.95Å; D988-S991 VanDerWaalsContact O-N 3.09Å; S991-C994 WeakPolarHBondContact O-CB 3.4Å; S991-C994 PolarHBondContact O-N 3.36Å; S991-A995 PolarHBondContact O-N 2.98Å
992	K	92.6	Very high	88.5	Confident	36 Å²	36	37.6 Å²	37.6	16%	0.157	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-36.4	173.8	-72.9	175.2	-177.2	-75.3	0	112.4	L957 D988 Y990 C994 A995 L996 V1017 G1018 L1027	L957-K992 HydrophobicContact CD1-CD 3.8Å; L957-K992 HydrophobicContact CD2-CD 3.79Å; L957-K992 HydrophobicContact CG-CD 4.46Å; D988-K992 WeakPolarHBondContact O-CG 3.39Å; D988-K992 PolarHBondContact O-N 2.83Å; D988-K992 WeakPolarHBondContact OD2-CE 3.39Å; Y990-K992 VanDerWaalsContact C-N 3.33Å; Y990-K992 PolarHBondContact O-N 2.92Å; K992-C994 VanDerWaalsContact C-N 3.34Å; K992-A995 PolarHBondContact O-N 2.78Å; K992-L996 WeakPolarHBondContact O-CB 3.15Å; K992-L996 PolarHBondContact O-N 2.98Å; K992-V1017 HydrophobicContact CB-CG1 3.95Å; K992-V1017 HydrophobicContact CG-CG1 4.23Å; K992-G1018 PolarHBondContact NZ-O 2.86Å; K992-L1027 HydrophobicContact CB-CD1 4.17Å; K992-L1027 HydrophobicContact CB-CD2 3.77Å
993	S	90.8	Very high	87	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-37	175.3	74.9	0	0	0	0	112.2	V989 Y990 L996 T997 V1030 H1034	V989-S993 PolarHBondContact O-N 3.35Å; Y990-S993 WeakPolarHBondContact O-CB 3.28Å; Y990-S993 PolarHBondContact O-N 2.9Å; Y990-S993 VanDerWaalsContact O-N 3.09Å; Y990-S993 PolarHBondContact O-OG 3.37Å; S993-L996 WeakPolarHBondContact O-CB 3Å; S993-L996 PolarHBondContact O-N 3.48Å; S993-T997 WeakPolarHBondContact O-CG2 3.28Å; S993-T997 PolarHBondContact O-N 3.08Å; S993-V1030 WeakPolarHBondContact OG-CG1 3.47Å; S993-H1034 PolarHBondContact OG-CE1 2.87Å
994	C	88.6	Confident	85.3	Confident	34 Å²	34	46 Å²	46	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-46.7	172.2	-65.7	0	0	0	0	110.9	Y990 S991 K992 L996 T997 T998	Y990-C994 VanDerWaalsContact CZ-SG 3.54Å; Y990-C994 PolarHBondContact O-N 2.92Å; Y990-C994 PolarHBondContact O-SG 2.89Å; S991-C994 WeakPolarHBondContact O-CB 3.4Å; S991-C994 PolarHBondContact O-N 3.36Å; K992-C994 VanDerWaalsContact C-N 3.34Å; C994-L996 VanDerWaalsContact C-N 3.28Å; C994-L996 PolarHBondContact O-N 3.2Å; C994-T997 PolarHBondContact O-N 3.38Å; C994-T997 VanDerWaalsContact O-N 3.14Å; C994-T997 PolarHBondContact O-OG1 3.27Å; C994-T998 PolarHBondContact O-N 3.44Å; C994-T998 PolarHBondContact O-OG1 3.28Å
995	A	88.7	Confident	83.2	Confident	38 Å²	38	50.8 Å²	50.8	31%	0.314	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-41.1	176	0	0	0	0	0	112.1	S991 K992 T998 L999 V1017	S991-A995 PolarHBondContact O-N 2.98Å; K992-A995 PolarHBondContact O-N 2.78Å; A995-T998 WeakPolarHBondContact CA-OG1 2.93Å; A995-T998 PolarHBondContact O-N 3.16Å; A995-T998 PolarHBondContact O-OG1 2.86Å; A995-L999 WeakPolarHBondContact O-CG 3.05Å; A995-L999 PolarHBondContact O-N 3.11Å; A995-L999 VanDerWaalsContact O-N 3.12Å; A995-V1017 HydrophobicContact CB-CG1 4.49Å
996	L	86.8	Confident	81.3	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-47.9	174.1	179	63.7	0	0	0	111.6	K992 S993 C994 T998 L999 V1000 V1013 V1017 L1027 M1028	K992-L996 WeakPolarHBondContact O-CB 3.15Å; K992-L996 PolarHBondContact O-N 2.98Å; S993-L996 WeakPolarHBondContact O-CB 3Å; S993-L996 PolarHBondContact O-N 3.48Å; C994-L996 VanDerWaalsContact C-N 3.28Å; C994-L996 PolarHBondContact O-N 3.2Å; L996-T998 VanDerWaalsContact C-N 3.33Å; L996-T998 PolarHBondContact O-N 3.44Å; L996-L999 PolarHBondContact O-N 2.87Å; L996-V1000 HydrophobicContact CD1-CG2 4.41Å; L996-V1000 WeakPolarHBondContact O-CG2 3.42Å; L996-V1000 PolarHBondContact O-N 3.34Å; L996-V1000 VanDerWaalsContact O-N 3.08Å; L996-V1013 HydrophobicContact CD1-CG1 3.17Å; L996-V1017 HydrophobicContact CB-CG2 4.24Å; L996-V1017 HydrophobicContact CD1-CG2 4.3Å; L996-L1027 HydrophobicContact CD2-CB 3.62Å; L996-M1028 HydrophobicContact CD2-CG 3.97Å; L996-M1028 HydrophobicContact CD2-SD 3.63Å; L996-M1028 HydrophobicContact CG-SD 4.27Å
997	T	82.6	Confident	79.6	Confident	13 Å²	13	59 Å²	59	8%	0.08	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-40	178.2	57.6	0	0	0	0	112.8	S993 C994 L999 V1000 D1001 A1031	S993-T997 WeakPolarHBondContact O-CG2 3.28Å; S993-T997 PolarHBondContact O-N 3.08Å; C994-T997 PolarHBondContact O-N 3.38Å; C994-T997 VanDerWaalsContact O-N 3.14Å; C994-T997 PolarHBondContact O-OG1 3.27Å; T997-L999 VanDerWaalsContact C-N 3.34Å; T997-L999 PolarHBondContact O-N 3.12Å; T997-V1000 PolarHBondContact O-N 3.13Å; T997-D1001 PolarHBondContact O-N 2.68Å; T997-A1031 HydrophobicContact CG2-CB 3.49Å; T997-A1031 VanDerWaalsContact CG2-CB 3.49Å
998	T	83.1	Confident	78.3	Confident	80 Å²	80	59.3 Å²	59.3	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-39.1	178.1	52.7	0	0	0	0	112.4	C994 A995 L996 D1001 D1002	C994-T998 PolarHBondContact O-N 3.44Å; C994-T998 PolarHBondContact O-OG1 3.28Å; A995-T998 WeakPolarHBondContact CA-OG1 2.93Å; A995-T998 PolarHBondContact O-N 3.16Å; A995-T998 PolarHBondContact O-OG1 2.86Å; L996-T998 VanDerWaalsContact C-N 3.33Å; L996-T998 PolarHBondContact O-N 3.44Å; T998-D1001 PolarHBondContact O-N 3.24Å; T998-D1002 PolarHBondContact O-N 3.26Å
999	L	79.5	Confident	77.5	Confident	50 Å²	50	60.4 Å²	60.4	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-68.8	-39	177.3	-70.2	170.3	0	0	0	112.2	A995 L996 T997 D1002 D1003 L1016 V1017	A995-L999 WeakPolarHBondContact O-CG 3.05Å; A995-L999 PolarHBondContact O-N 3.11Å; A995-L999 VanDerWaalsContact O-N 3.12Å; L996-L999 PolarHBondContact O-N 2.87Å; T997-L999 VanDerWaalsContact C-N 3.34Å; T997-L999 PolarHBondContact O-N 3.12Å; L999-D1002 PolarHBondContact O-N 2.76Å; L999-D1003 PolarHBondContact O-N 3.46Å; L999-L1016 HydrophobicContact CD1-CB 3.76Å; L999-L1016 HydrophobicContact CD2-CD1 4.39Å; L999-V1017 HydrophobicContact CD1-CG2 3.49Å; L999-V1017 VanDerWaalsContact CD1-CG2 3.49Å
1000	V	75.7	Confident	76.7	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.03	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-38.7	177.6	174.8	0	0	0	0	111.2	L996 T997 D1002 D1003 R1004 L1008 T1038 L1042	L996-V1000 HydrophobicContact CD1-CG2 4.41Å; L996-V1000 WeakPolarHBondContact O-CG2 3.42Å; L996-V1000 PolarHBondContact O-N 3.34Å; L996-V1000 VanDerWaalsContact O-N 3.08Å; T997-V1000 PolarHBondContact O-N 3.13Å; V1000-D1002 VanDerWaalsContact C-N 3.27Å; V1000-D1002 PolarHBondContact O-N 3.06Å; V1000-D1003 PolarHBondContact O-N 3.05Å; V1000-R1004 PolarHBondContact O-N 2.92Å; V1000-L1008 HydrophobicContact CG1-CD1 4.46Å; V1000-L1008 HydrophobicContact CG2-CD1 4.23Å; V1000-L1008 HydrophobicContact CG2-CD2 3.98Å; V1000-T1038 HydrophobicContact CB-CG2 3.82Å; V1000-T1038 HydrophobicContact CG1-CG2 3.38Å; V1000-L1042 HydrophobicContact CB-CD1 4.36Å; V1000-L1042 HydrophobicContact CG1-CD1 3.48Å; V1000-L1042 VanDerWaalsContact CG1-CD1 3.48Å; V1000-L1042 HydrophobicContact CG1-CD2 4.02Å; V1000-L1042 HydrophobicContact CG1-CG 3.87Å; V1000-L1042 HydrophobicContact CG2-CD1 3.91Å
1001	D	72.2	Confident	76.1	Confident	52 Å²	52	68.6 Å²	68.6	28%	0.278	38%	0.378	S	S	.	.	H	α-helix	trans	-65.8	-30.9	178.6	-83.1	-34.5	0	0	0	112.9	T997 T998 R1004 T1038	T997-D1001 PolarHBondContact O-N 2.68Å; T998-D1001 PolarHBondContact O-N 3.24Å; D1001-R1004 WeakPolarHBondContact O-CG 3.49Å; D1001-R1004 IonicContact OD1-CZ 3.79Å; D1001-R1004 IonicContact OD1-NE 2.67Å; D1001-R1004 PolarHBondContact OD1-NE 2.86Å; D1001-R1004 IonicContact OD1-NH2 2.88Å; D1001-R1004 PolarHBondContact OD1-NH2 3.34Å; D1001-T1038 WeakPolarHBondContact OD1-CG2 3.35Å; D1001-T1038 PolarHBondContact OD1-OG1 2.96Å; D1001-T1038 PolarHBondContact OD2-OG1 3.01Å
1002	D	70.8	Confident	75.6	Confident	145 Å²	145	71.3 Å²	71.3	78%	0.775	38%	0.381	S	S	*	.	H	α-helix	trans	-74.8	-28.9	175.7	-73.6	-18.2	0	0	0	112.8	T998 L999 V1000	T998-D1002 PolarHBondContact O-N 3.26Å; L999-D1002 PolarHBondContact O-N 2.76Å; V1000-D1002 VanDerWaalsContact C-N 3.27Å; V1000-D1002 PolarHBondContact O-N 3.06Å
1003	D	64.1	Low	75	Confident	72 Å²	72	70.1 Å²	70.1	39%	0.385	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	22.3	-169.1	-136.2	-18	0	0	0	114.1	L999 V1000 N1005 S1006	L999-D1003 PolarHBondContact O-N 3.46Å; V1000-D1003 PolarHBondContact O-N 3.05Å; D1003-N1005 PolarHBondContact O-N 2.88Å; D1003-S1006 PolarHBondContact O-N 3.1Å; D1003-S1006 VanDerWaalsContact O-N 3.08Å; D1003-S1006 PolarHBondContact OD1-OG 3.24Å
1004	R	59.1	Low	74.7	Confident	160 Å²	160	70.2 Å²	70.2	60%	0.604	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-8.4	-172.8	-76.8	179	177.5	-154.9	-0.5	117.6	V1000 D1001	V1000-R1004 PolarHBondContact O-N 2.92Å; D1001-R1004 WeakPolarHBondContact O-CG 3.49Å; D1001-R1004 IonicContact OD1-CZ 3.79Å; D1001-R1004 IonicContact OD1-NE 2.67Å; D1001-R1004 PolarHBondContact OD1-NE 2.86Å; D1001-R1004 IonicContact OD1-NH2 2.88Å; D1001-R1004 PolarHBondContact OD1-NH2 3.34Å
1005	N	50.6	Low	74.6	Confident	171 Å²	171	74.2 Å²	74.2	91%	0.914	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	4.1	-176.4	-76.5	-16.7	0	0	0	115	D1003	D1003-N1005 PolarHBondContact O-N 2.88Å
1006	S	56.4	Low	74.5	Confident	58 Å²	58	77.6 Å²	77.6	41%	0.406	41%	0.409	S	S	.	.	S	Bend	trans	-118.3	147.6	179.3	74.5	0	0	0	0	112.6	D1003 L1008	D1003-S1006 PolarHBondContact O-N 3.1Å; D1003-S1006 VanDerWaalsContact O-N 3.08Å; D1003-S1006 PolarHBondContact OD1-OG 3.24Å; S1006-L1008 PolarHBondContact O-N 2.99Å
1007	T	59.8	Low	74.4	Confident	142 Å²	142	78.4 Å²	78.4	87%	0.871	41%	0.414	S	S	*	.			trans	-59.5	112	170.3	41.6	0	0	0	0	108.3	D1009	T1007-D1009 PolarHBondContact O-N 3.19Å
1008	L	67.5	Low	74.8	Confident	40 Å²	40	80.1 Å²	80.1	21%	0.209	44%	0.435	C	S	.	.			trans	-61.8	106.2	-172.3	-139.1	91.3	0	0	0	110.5	V1000 S1006 L1010 V1013 L1042	V1000-L1008 HydrophobicContact CG1-CD1 4.46Å; V1000-L1008 HydrophobicContact CG2-CD1 4.23Å; V1000-L1008 HydrophobicContact CG2-CD2 3.98Å; S1006-L1008 PolarHBondContact O-N 2.99Å; L1008-L1010 HydrophobicContact CD2-CD2 4.2Å; L1008-L1010 PolarHBondContact O-N 3.37Å; L1008-V1013 HydrophobicContact CD2-CG2 3.96Å; L1008-V1013 HydrophobicContact CG-CG2 3.98Å; L1008-L1042 HydrophobicContact CB-CD2 4.33Å; L1008-L1042 HydrophobicContact CD1-CD2 3.89Å; L1008-L1042 HydrophobicContact CD2-CD1 4.33Å; L1008-L1042 HydrophobicContact CD2-CD2 4.22Å; L1008-L1042 HydrophobicContact CG-CD2 4.37Å
1009	D	77.7	Confident	75.1	Confident	94 Å²	94	77.1 Å²	77.1	50%	0.503	42%	0.417	S	S	.	.			trans	-73.5	95.9	169.4	-179.7	-2.8	0	0	0	108.3	T1007 L1011 K1012 V1013	T1007-D1009 PolarHBondContact O-N 3.19Å; D1009-L1011 PolarHBondContact O-N 3.16Å; D1009-L1011 VanDerWaalsContact O-N 3.08Å; D1009-L1011 VanDerWaalsContact OD1-CB 3.29Å; D1009-L1011 WeakPolarHBondContact OD1-CB 3.35Å; D1009-L1011 PolarHBondContact OD1-N 3.26Å; D1009-K1012 HydrophobicContact CB-CB 3.99Å; D1009-K1012 PolarHBondContact O-N 2.99Å; D1009-K1012 VanDerWaalsContact O-N 3.07Å; D1009-K1012 PolarHBondContact OD1-N 2.96Å; D1009-V1013 WeakPolarHBondContact O-CG2 3.32Å; D1009-V1013 PolarHBondContact O-N 3.45Å
1010	L	79.1	Confident	75.7	Confident	88 Å²	88	78.7 Å²	78.7	46%	0.461	43%	0.425	S	S	.	.	H	α-helix	trans	-54.4	-29.2	-178.5	-63.6	174.3	0	0	0	112.4	L1008 A1014 L1021 I1024	L1008-L1010 HydrophobicContact CD2-CD2 4.2Å; L1008-L1010 PolarHBondContact O-N 3.37Å; L1010-A1014 VanDerWaalsContact O-CB 3.24Å; L1010-A1014 WeakPolarHBondContact O-CB 3.46Å; L1010-A1014 PolarHBondContact O-N 3.13Å; L1010-L1021 HydrophobicContact CB-CD2 4.27Å; L1010-I1024 HydrophobicContact CD2-CG2 4.19Å
1011	L	80.8	Confident	76.2	Confident	92 Å²	92	82.4 Å²	82.4	48%	0.482	45%	0.445	S	S	.	.	H	α-helix	trans	-75.1	-41.3	-178.9	-139.8	145.1	0	0	0	111	D1009 N1015 L1021	D1009-L1011 PolarHBondContact O-N 3.16Å; D1009-L1011 VanDerWaalsContact O-N 3.08Å; D1009-L1011 VanDerWaalsContact OD1-CB 3.29Å; D1009-L1011 WeakPolarHBondContact OD1-CB 3.35Å; D1009-L1011 PolarHBondContact OD1-N 3.26Å; L1011-N1015 WeakPolarHBondContact O-CB 3.49Å; L1011-N1015 VanDerWaalsContact O-CG 3.25Å; L1011-N1015 PolarHBondContact O-N 2.84Å; L1011-N1015 VanDerWaalsContact O-N 3.1Å; L1011-N1015 PolarHBondContact O-ND2 2.88Å; L1011-N1015 VanDerWaalsContact O-ND2 3.13Å; L1011-L1021 HydrophobicContact CB-CD2 4.23Å; L1011-L1021 HydrophobicContact CD1-CD1 3.78Å; L1011-L1021 HydrophobicContact CG-CD1 3.91Å; L1011-L1021 HydrophobicContact CG-CD2 4.09Å; L1011-L1021 HydrophobicContact CG-CG 4.27Å
1012	K	80.5	Confident	77.1	Confident	125 Å²	125	81.4 Å²	81.4	54%	0.543	44%	0.442	S	S	.	.	H	α-helix	trans	-65.5	-41.6	172.5	-169.5	-178.4	178.6	-167.2	0	111.5	D1009 N1015 L1016	D1009-K1012 HydrophobicContact CB-CB 3.99Å; D1009-K1012 PolarHBondContact O-N 2.99Å; D1009-K1012 VanDerWaalsContact O-N 3.07Å; D1009-K1012 PolarHBondContact OD1-N 2.96Å; K1012-N1015 PolarHBondContact O-N 3.43Å; K1012-L1016 HydrophobicContact CG-CD1 4.26Å; K1012-L1016 WeakPolarHBondContact O-CG 3.46Å; K1012-L1016 PolarHBondContact O-N 3.19Å
1013	V	81.6	Confident	78.1	Confident	12 Å²	12	74.6 Å²	74.6	7%	0.073	41%	0.405	C	S	.	.	H	α-helix	trans	-63.9	-46.3	177	173.7	0	0	0	0	111	L996 L1008 D1009 N1015 L1016 V1017	L996-V1013 HydrophobicContact CD1-CG1 3.17Å; L1008-V1013 HydrophobicContact CD2-CG2 3.96Å; L1008-V1013 HydrophobicContact CG-CG2 3.98Å; D1009-V1013 WeakPolarHBondContact O-CG2 3.32Å; D1009-V1013 PolarHBondContact O-N 3.45Å; V1013-N1015 VanDerWaalsContact C-N 3.3Å; V1013-N1015 PolarHBondContact O-N 3.28Å; V1013-L1016 PolarHBondContact O-N 3.39Å; V1013-L1016 VanDerWaalsContact O-N 3.15Å; V1013-V1017 HydrophobicContact CG1-CG2 4.36Å; V1013-V1017 WeakPolarHBondContact O-CG2 3.35Å; V1013-V1017 PolarHBondContact O-N 3.23Å
1014	A	84.6	Confident	79.3	Confident	2 Å²	2	71.7 Å²	71.7	2%	0.017	39%	0.39	C	S	.	.	H	α-helix	trans	-56.8	-44.9	176.5	0	0	0	0	0	111.7	L1010 L1016 V1017 G1018 C1019 L1021 I1024	L1010-A1014 VanDerWaalsContact O-CB 3.24Å; L1010-A1014 WeakPolarHBondContact O-CB 3.46Å; L1010-A1014 PolarHBondContact O-N 3.13Å; A1014-L1016 PolarHBondContact O-N 3.23Å; A1014-V1017 PolarHBondContact O-N 3.38Å; A1014-G1018 PolarHBondContact O-N 3.31Å; A1014-C1019 CarbonylContact C-O 3.58Å; A1014-C1019 PolarHBondContact O-N 3.37Å; A1014-L1021 HydrophobicContact CB-CD2 4.09Å; A1014-I1024 HydrophobicContact CB-CD1 4.04Å; A1014-I1024 HydrophobicContact CB-CG1 4.29Å
1015	N	86.2	Confident	80.7	Confident	117 Å²	117	67.1 Å²	67.1	63%	0.626	38%	0.381	S	S	*	.	H	α-helix	trans	-63.9	-38.9	176.7	-72.7	-29.4	0	0	0	113.2	L1011 K1012 V1013 G1018	L1011-N1015 WeakPolarHBondContact O-CB 3.49Å; L1011-N1015 VanDerWaalsContact O-CG 3.25Å; L1011-N1015 PolarHBondContact O-N 2.84Å; L1011-N1015 VanDerWaalsContact O-N 3.1Å; L1011-N1015 PolarHBondContact O-ND2 2.88Å; L1011-N1015 VanDerWaalsContact O-ND2 3.13Å; K1012-N1015 PolarHBondContact O-N 3.43Å; V1013-N1015 VanDerWaalsContact C-N 3.3Å; V1013-N1015 PolarHBondContact O-N 3.28Å; N1015-G1018 PolarHBondContact O-N 3.48Å
1016	L	85.8	Confident	82.7	Confident	110 Å²	110	59 Å²	59	58%	0.576	34%	0.337	S	S	*	.	H	α-helix	trans	-69.8	-38.7	178.6	-74.9	167.9	0	0	0	112.5	L999 K1012 V1013 A1014 G1018	L999-L1016 HydrophobicContact CD1-CB 3.76Å; L999-L1016 HydrophobicContact CD2-CD1 4.39Å; K1012-L1016 HydrophobicContact CG-CD1 4.26Å; K1012-L1016 WeakPolarHBondContact O-CG 3.46Å; K1012-L1016 PolarHBondContact O-N 3.19Å; V1013-L1016 PolarHBondContact O-N 3.39Å; V1013-L1016 VanDerWaalsContact O-N 3.15Å; A1014-L1016 PolarHBondContact O-N 3.23Å; L1016-G1018 PolarHBondContact O-N 2.99Å
1017	V	85.8	Confident	84.4	Confident	18 Å²	18	56.2 Å²	56.2	11%	0.109	32%	0.318	C	S	.	.	H	α-helix	trans	-75	-18.2	175.5	179.3	0	0	0	0	111.5	K992 A995 L996 L999 V1013 A1014 C1019 L1027	K992-V1017 HydrophobicContact CB-CG1 3.95Å; K992-V1017 HydrophobicContact CG-CG1 4.23Å; A995-V1017 HydrophobicContact CB-CG1 4.49Å; L996-V1017 HydrophobicContact CB-CG2 4.24Å; L996-V1017 HydrophobicContact CD1-CG2 4.3Å; L999-V1017 HydrophobicContact CD1-CG2 3.49Å; L999-V1017 VanDerWaalsContact CD1-CG2 3.49Å; V1013-V1017 HydrophobicContact CG1-CG2 4.36Å; V1013-V1017 WeakPolarHBondContact O-CG2 3.35Å; V1013-V1017 PolarHBondContact O-N 3.23Å; A1014-V1017 PolarHBondContact O-N 3.38Å; V1017-C1019 HydrophobicContact CG1-CB 4.42Å; V1017-L1027 HydrophobicContact CG1-CD1 4.31Å
1018	G	89.2	Confident	85.6	Confident	50 Å²	50	50 Å²	50	52%	0.515	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	50.4	-173.9	0	0	0	0	0	111.2	K992 A1014 N1015 L1016	K992-G1018 PolarHBondContact NZ-O 2.86Å; A1014-G1018 PolarHBondContact O-N 3.31Å; N1015-G1018 PolarHBondContact O-N 3.48Å; L1016-G1018 PolarHBondContact O-N 2.99Å
1019	C	90.2	Very high	86.6	Confident	17 Å²	17	49 Å²	49	12%	0.115	28%	0.276	C	S	.	.			trans	-135.4	164.7	176.5	63.3	0	0	0	0	110.8	A1014 V1017 D1023 L1027	A1014-C1019 CarbonylContact C-O 3.58Å; A1014-C1019 PolarHBondContact O-N 3.37Å; V1017-C1019 HydrophobicContact CG1-CB 4.42Å; C1019-D1023 HydrophobicContact CB-CB 4.1Å; C1019-L1027 HydrophobicContact CB-CD1 4.1Å
1020	D	91.2	Very high	87.2	Confident	82 Å²	82	44.6 Å²	44.6	44%	0.439	25%	0.252	S	S	.	.			trans	-81.4	157.3	175.3	-171.4	-96	0	0	0	110.7	K956 S1022 D1023	K956-D1020 HydrophobicContact CB-CB 3.83Å; K956-D1020 HydrophobicContact CG-CB 4.33Å; D1020-S1022 PolarHBondContact O-N 3.16Å; D1020-S1022 VanDerWaalsContact OD1-CB 3.26Å; D1020-S1022 WeakPolarHBondContact OD1-CB 3.41Å; D1020-S1022 PolarHBondContact OD1-N 3.08Å; D1020-S1022 PolarHBondContact OD1-OG 3.23Å; D1020-D1023 WeakPolarHBondContact CB-OD2 3.02Å; D1020-D1023 PolarHBondContact N-OD2 3.16Å; D1020-D1023 WeakPolarHBondContact O-CB 3.48Å; D1020-D1023 PolarHBondContact O-N 2.87Å
1021	L	88	Confident	87.5	Confident	84 Å²	84	40.4 Å²	40.4	44%	0.44	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-57.2	-32.8	174.2	-76.7	173.8	0	0	0	112.5	L1010 L1011 A1014 D1023 I1024	L1010-L1021 HydrophobicContact CB-CD2 4.27Å; L1011-L1021 HydrophobicContact CB-CD2 4.23Å; L1011-L1021 HydrophobicContact CD1-CD1 3.78Å; L1011-L1021 HydrophobicContact CG-CD1 3.91Å; L1011-L1021 HydrophobicContact CG-CD2 4.09Å; L1011-L1021 HydrophobicContact CG-CG 4.27Å; A1014-L1021 HydrophobicContact CB-CD2 4.09Å; L1021-D1023 PolarHBondContact O-N 3.24Å; L1021-I1024 PolarHBondContact O-N 2.82Å
1022	S	90.4	Very high	87.6	Confident	31 Å²	31	36.6 Å²	36.6	22%	0.217	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-65.1	-20.9	176	59.2	0	0	0	0	113.7	D1020	D1020-S1022 PolarHBondContact O-N 3.16Å; D1020-S1022 VanDerWaalsContact OD1-CB 3.26Å; D1020-S1022 WeakPolarHBondContact OD1-CB 3.41Å; D1020-S1022 PolarHBondContact OD1-N 3.08Å; D1020-S1022 PolarHBondContact OD1-OG 3.23Å
1023	D	92.3	Very high	87.6	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.011	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-82.8	-22.5	179.9	-60.2	-44.2	0	0	0	112.7	S955 K956 L957 C1019 D1020 L1021 L1026 L1027	S955-D1023 WeakPolarHBondContact CB-OD1 3.3Å; S955-D1023 PolarHBondContact OG-OD1 3.18Å; K956-D1023 WeakPolarHBondContact CA-OD1 3.29Å; K956-D1023 PolarHBondContact N-OD1 3.04Å; L957-D1023 HydrophobicContact CD1-CB 3.99Å; L957-D1023 HydrophobicContact CG-CB 4.31Å; L957-D1023 PolarHBondContact N-OD1 2.93Å; C1019-D1023 HydrophobicContact CB-CB 4.1Å; D1020-D1023 WeakPolarHBondContact CB-OD2 3.02Å; D1020-D1023 PolarHBondContact N-OD2 3.16Å; D1020-D1023 WeakPolarHBondContact O-CB 3.48Å; D1020-D1023 PolarHBondContact O-N 2.87Å; L1021-D1023 PolarHBondContact O-N 3.24Å; D1023-L1026 WeakPolarHBondContact O-CB 3.44Å; D1023-L1026 PolarHBondContact O-N 3.24Å; D1023-L1027 HydrophobicContact CB-CD1 4.3Å; D1023-L1027 HydrophobicContact CB-CG 4.47Å; D1023-L1027 WeakPolarHBondContact O-CG 3.47Å; D1023-L1027 PolarHBondContact O-N 2.78Å
1024	I	89.2	Confident	87.6	Confident	11 Å²	11	32.7 Å²	32.7	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-56.8	-45.2	-172.9	-61.7	-63.7	0	0	0	113	L1010 A1014 L1021 L1026 L1027 M1028	L1010-I1024 HydrophobicContact CD2-CG2 4.19Å; A1014-I1024 HydrophobicContact CB-CD1 4.04Å; A1014-I1024 HydrophobicContact CB-CG1 4.29Å; L1021-I1024 PolarHBondContact O-N 2.82Å; I1024-L1026 VanDerWaalsContact C-N 3.28Å; I1024-L1026 PolarHBondContact O-N 2.9Å; I1024-L1027 PolarHBondContact O-N 2.96Å; I1024-M1028 HydrophobicContact CG2-CG 3.94Å; I1024-M1028 VanDerWaalsContact O-CB 3.29Å; I1024-M1028 WeakPolarHBondContact O-CB 3.38Å; I1024-M1028 VanDerWaalsContact O-CG 3.23Å; I1024-M1028 WeakPolarHBondContact O-CG 3.49Å; I1024-M1028 PolarHBondContact O-N 3.09Å
1025	P	88.6	Confident	87.2	Confident	63 Å²	63	33.8 Å²	33.8	41%	0.409	20%	0.201	S	C	.	.	H	α-helix	trans	-59.4	-37.7	177.2	-25.1	35.9	0	0	0	113.2	M493 S1029	M493-P1025 HydrophobicContact CE-CB 3.54Å; M493-P1025 HydrophobicContact SD-CB 4.39Å; P1025-S1029 WeakPolarHBondContact O-CB 3.24Å; P1025-S1029 PolarHBondContact O-N 2.72Å; P1025-S1029 PolarHBondContact O-OG 3.25Å
1026	L	91.5	Very high	86.3	Confident	1 Å²	1	30 Å²	30	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-66.8	-50.7	175.6	172.3	64.9	0	0	0	111.1	L492 M493 I958 V989 D1023 I1024 M1028 S1029 V1030	L492-L1026 HydrophobicContact CB-CD1 4.06Å; M493-L1026 HydrophobicContact CB-CD1 4.43Å; M493-L1026 HydrophobicContact CG-CB 3.89Å; M493-L1026 HydrophobicContact CG-CD1 3.6Å; M493-L1026 HydrophobicContact CG-CG 4.35Å; M493-L1026 HydrophobicContact SD-CB 4.38Å; I958-L1026 HydrophobicContact CD1-CD2 3.93Å; I958-L1026 HydrophobicContact CG1-CD2 3.66Å; V989-L1026 HydrophobicContact CG1-CD2 4Å; V989-L1026 HydrophobicContact CG1-CG 4.13Å; D1023-L1026 WeakPolarHBondContact O-CB 3.44Å; D1023-L1026 PolarHBondContact O-N 3.24Å; I1024-L1026 VanDerWaalsContact C-N 3.28Å; I1024-L1026 PolarHBondContact O-N 2.9Å; L1026-M1028 VanDerWaalsContact C-N 3.3Å; L1026-M1028 PolarHBondContact O-N 2.98Å; L1026-S1029 PolarHBondContact O-N 2.92Å; L1026-S1029 VanDerWaalsContact O-N 3.15Å; L1026-V1030 HydrophobicContact CD1-CG2 4.31Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.31Å; L1026-V1030 PolarHBondContact O-N 2.84Å
1027	L	91.5	Very high	85.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-39.2	179.6	-63.4	179.3	0	0	0	111.9	L957 V989 K992 L996 V1017 C1019 D1023 I1024 V1030 A1031	L957-L1027 HydrophobicContact CD1-CD2 4.07Å; V989-L1027 HydrophobicContact CG1-CD2 4.01Å; V989-L1027 WeakPolarHBondContact O-CD2 3.48Å; K992-L1027 HydrophobicContact CB-CD1 4.17Å; K992-L1027 HydrophobicContact CB-CD2 3.77Å; L996-L1027 HydrophobicContact CD2-CB 3.62Å; V1017-L1027 HydrophobicContact CG1-CD1 4.31Å; C1019-L1027 HydrophobicContact CB-CD1 4.1Å; D1023-L1027 HydrophobicContact CB-CD1 4.3Å; D1023-L1027 HydrophobicContact CB-CG 4.47Å; D1023-L1027 WeakPolarHBondContact O-CG 3.47Å; D1023-L1027 PolarHBondContact O-N 2.78Å; I1024-L1027 PolarHBondContact O-N 2.96Å; L1027-V1030 PolarHBondContact O-N 3.39Å; L1027-A1031 VanDerWaalsContact O-CB 3.27Å; L1027-A1031 WeakPolarHBondContact O-CB 3.29Å; L1027-A1031 PolarHBondContact O-N 2.9Å
1028	M	86.1	Confident	84	Confident	12 Å²	12	31.6 Å²	31.6	6%	0.059	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-41.5	174.7	-75.2	-61.8	-68.8	0	0	112	L996 I1024 L1026 V1030 A1031 T1032 V1039 L1042 V1044	L996-M1028 HydrophobicContact CD2-CG 3.97Å; L996-M1028 HydrophobicContact CD2-SD 3.63Å; L996-M1028 HydrophobicContact CG-SD 4.27Å; I1024-M1028 HydrophobicContact CG2-CG 3.94Å; I1024-M1028 VanDerWaalsContact O-CB 3.29Å; I1024-M1028 WeakPolarHBondContact O-CB 3.38Å; I1024-M1028 VanDerWaalsContact O-CG 3.23Å; I1024-M1028 WeakPolarHBondContact O-CG 3.49Å; I1024-M1028 PolarHBondContact O-N 3.09Å; L1026-M1028 VanDerWaalsContact C-N 3.3Å; L1026-M1028 PolarHBondContact O-N 2.98Å; M1028-V1030 VanDerWaalsContact C-N 3.34Å; M1028-V1030 PolarHBondContact O-N 3.14Å; M1028-A1031 WeakPolarHBondContact O-CB 3.44Å; M1028-A1031 PolarHBondContact O-N 3.09Å; M1028-T1032 WeakPolarHBondContact O-CG2 3.32Å; M1028-T1032 PolarHBondContact O-N 3.07Å; M1028-V1039 HydrophobicContact CE-CB 4.32Å; M1028-V1039 HydrophobicContact CE-CG1 3.71Å; M1028-V1039 HydrophobicContact CE-CG2 4.1Å; M1028-L1042 HydrophobicContact CE-CD1 3.58Å; M1028-L1042 HydrophobicContact SD-CD1 4.35Å; M1028-V1044 HydrophobicContact CE-CB 4.21Å; M1028-V1044 HydrophobicContact CE-CG1 4.36Å; M1028-V1044 HydrophobicContact CE-CG2 4.38Å
1029	S	88.3	Confident	82.6	Confident	19 Å²	19	29.4 Å²	29.4	13%	0.133	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-42.9	175.7	-57.7	0	0	0	0	110.9	M493 L496 P1025 L1026 T1032	M493-S1029 WeakPolarHBondContact O-CB 3.46Å; L496-S1029 WeakPolarHBondContact CD1-O 3.38Å; P1025-S1029 WeakPolarHBondContact O-CB 3.24Å; P1025-S1029 PolarHBondContact O-N 2.72Å; P1025-S1029 PolarHBondContact O-OG 3.25Å; L1026-S1029 PolarHBondContact O-N 2.92Å; L1026-S1029 VanDerWaalsContact O-N 3.15Å; S1029-T1032 PolarHBondContact O-N 3.37Å; S1029-T1032 PolarHBondContact O-OG1 3.45Å
1030	V	89.4	Confident	81.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-37.1	175	179.2	0	0	0	0	111.8	L496 W498 V499 V989 Y990 S993 L1026 L1027 M1028 T1032 V1033 H1034	L496-V1030 HydrophobicContact CD2-CG2 4.28Å; W498-V1030 HydrophobicContact CH2-CG2 4.05Å; W498-V1030 HydrophobicContact CZ2-CG2 3.55Å; V499-V1030 HydrophobicContact CG1-CG1 4.09Å; V499-V1030 HydrophobicContact CG2-CB 4.47Å; V499-V1030 HydrophobicContact CG2-CG1 3.77Å; V499-V1030 HydrophobicContact CG2-CG2 4.25Å; V989-V1030 HydrophobicContact CG1-CG2 4.38Å; Y990-V1030 HydrophobicContact CD2-CG1 4.26Å; S993-V1030 WeakPolarHBondContact OG-CG1 3.47Å; L1026-V1030 HydrophobicContact CD1-CG2 4.31Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.31Å; L1026-V1030 PolarHBondContact O-N 2.84Å; L1027-V1030 PolarHBondContact O-N 3.39Å; M1028-V1030 VanDerWaalsContact C-N 3.34Å; M1028-V1030 PolarHBondContact O-N 3.14Å; V1030-T1032 PolarHBondContact O-N 2.83Å; V1030-V1033 WeakPolarHBondContact O-CB 3.17Å; V1030-V1033 PolarHBondContact O-N 2.84Å; V1030-V1033 VanDerWaalsContact O-N 3.1Å; V1030-H1034 PolarHBondContact O-CE1 2.89Å; V1030-H1034 PolarHBondContact O-ND1 2.8Å; V1030-H1034 VanDerWaalsContact O-ND1 3.14Å
1031	A	86.5	Confident	79.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-35.8	175.5	0	0	0	0	0	113	T997 L1027 M1028 V1033 H1034 S1035 V1039	T997-A1031 HydrophobicContact CG2-CB 3.49Å; T997-A1031 VanDerWaalsContact CG2-CB 3.49Å; L1027-A1031 VanDerWaalsContact O-CB 3.27Å; L1027-A1031 WeakPolarHBondContact O-CB 3.29Å; L1027-A1031 PolarHBondContact O-N 2.9Å; M1028-A1031 WeakPolarHBondContact O-CB 3.44Å; M1028-A1031 PolarHBondContact O-N 3.09Å; A1031-V1033 PolarHBondContact O-N 2.82Å; A1031-V1033 VanDerWaalsContact O-N 3.09Å; A1031-H1034 WeakPolarHBondContact CA-CE1 2.95Å; A1031-H1034 PolarHBondContact O-N 3.32Å; A1031-S1035 CarbonylContact O-C 3.52Å; A1031-S1035 PolarHBondContact O-N 3.43Å; A1031-V1039 HydrophobicContact CB-CG2 3.66Å
1032	T	82.7	Confident	77.8	Confident	12 Å²	12	31.2 Å²	31.2	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-23.2	177.8	65.5	0	0	0	0	114.3	T547 M1028 S1029 V1030 V1039 I1045	T547-T1032 WeakPolarHBondContact CG2-OG1 3.42Å; M1028-T1032 WeakPolarHBondContact O-CG2 3.32Å; M1028-T1032 PolarHBondContact O-N 3.07Å; S1029-T1032 PolarHBondContact O-N 3.37Å; S1029-T1032 PolarHBondContact O-OG1 3.45Å; V1030-T1032 PolarHBondContact O-N 2.83Å; T1032-V1039 HydrophobicContact CG2-CB 4.06Å; T1032-V1039 HydrophobicContact CG2-CG1 3.64Å; T1032-V1039 HydrophobicContact CG2-CG2 4.22Å; T1032-I1045 HydrophobicContact CG2-CD1 3.21Å
1033	V	81.6	Confident	75.7	Confident	12 Å²	12	32.9 Å²	32.9	7%	0.073	20%	0.201	C	C	.	.	H	α-helix	trans	-74.7	-36.7	-177.4	-179.8	0	0	0	0	111.6	L496 V499 V546 L703 V1030 A1031	L496-V1033 HydrophobicContact CB-CG2 3.82Å; L496-V1033 HydrophobicContact CD1-CG2 4Å; L496-V1033 HydrophobicContact CD2-CG2 4.37Å; L496-V1033 HydrophobicContact CG-CG2 4.29Å; V499-V1033 HydrophobicContact CB-CG1 4.37Å; V499-V1033 HydrophobicContact CG1-CB 4.31Å; V499-V1033 HydrophobicContact CG1-CG1 4.06Å; V499-V1033 HydrophobicContact CG2-CG2 4.35Å; V546-V1033 HydrophobicContact CG1-CG1 3.82Å; L703-V1033 HydrophobicContact CD1-CG1 4.12Å; L703-V1033 HydrophobicContact CD2-CG1 3.83Å; V1030-V1033 WeakPolarHBondContact O-CB 3.17Å; V1030-V1033 PolarHBondContact O-N 2.84Å; V1030-V1033 VanDerWaalsContact O-N 3.1Å; A1031-V1033 PolarHBondContact O-N 2.82Å; A1031-V1033 VanDerWaalsContact O-N 3.09Å
1034	H	79.9	Confident	73.6	Confident	44 Å²	44	37 Å²	37	20%	0.204	23%	0.227	C	C	.	.	H	α-helix	trans	-112.1	-21.9	-174	57.8	-82.3	0	0	0	113.9	S993 V1030 A1031	S993-H1034 PolarHBondContact OG-CE1 2.87Å; V1030-H1034 PolarHBondContact O-CE1 2.89Å; V1030-H1034 PolarHBondContact O-ND1 2.8Å; V1030-H1034 VanDerWaalsContact O-ND1 3.14Å; A1031-H1034 WeakPolarHBondContact CA-CE1 2.95Å; A1031-H1034 PolarHBondContact O-N 3.32Å
1035	S	77	Confident	71.1	Confident	24 Å²	24	42.5 Å²	42.5	17%	0.168	26%	0.255	C	S	.	.			trans	-137.4	70	173.4	-162.2	0	0	0	0	112.1	A1031 E1037 T1038 V1039	A1031-S1035 CarbonylContact O-C 3.52Å; A1031-S1035 PolarHBondContact O-N 3.43Å; S1035-E1037 VanDerWaalsContact C-N 3.32Å; S1035-E1037 PolarHBondContact O-N 2.77Å; S1035-T1038 PolarHBondContact O-N 2.91Å; S1035-T1038 WeakPolarHBondContact OG-CB 3.48Å; S1035-T1038 PolarHBondContact OG-OG1 2.82Å; S1035-V1039 PolarHBondContact O-N 3.35Å
1036	S	67	Low	70.2	Confident	39 Å²	39	41.5 Å²	41.5	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-35.5	-178.2	58.9	0	0	0	0	113.3	L1040	S1036-L1040 WeakPolarHBondContact O-CB 3.33Å; S1036-L1040 WeakPolarHBondContact O-CD1 3.19Å; S1036-L1040 VanDerWaalsContact O-CG 3.23Å; S1036-L1040 WeakPolarHBondContact O-CG 3.39Å; S1036-L1040 PolarHBondContact O-N 2.86Å; S1036-L1040 VanDerWaalsContact O-N 3.1Å
1037	E	63.1	Low	69.1	Low	156 Å²	156	43.6 Å²	43.6	73%	0.729	26%	0.26	S	S	*	.	H	α-helix	trans	-65.1	-42.8	179.6	-70	-173.9	169.5	0	0	111.7	S1035 L1040 S1041	S1035-E1037 VanDerWaalsContact C-N 3.32Å; S1035-E1037 PolarHBondContact O-N 2.77Å; E1037-L1040 PolarHBondContact O-N 2.98Å; E1037-S1041 PolarHBondContact O-N 3.15Å; E1037-S1041 VanDerWaalsContact O-N 3.12Å
1038	T	60.1	Low	67.9	Low	4 Å²	4	46.1 Å²	46.1	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-42.3	-178.3	-54.2	0	0	0	0	111.2	V1000 D1001 S1035 S1041	V1000-T1038 HydrophobicContact CB-CG2 3.82Å; V1000-T1038 HydrophobicContact CG1-CG2 3.38Å; D1001-T1038 WeakPolarHBondContact OD1-CG2 3.35Å; D1001-T1038 PolarHBondContact OD1-OG1 2.96Å; D1001-T1038 PolarHBondContact OD2-OG1 3.01Å; S1035-T1038 PolarHBondContact O-N 2.91Å; S1035-T1038 WeakPolarHBondContact OG-CB 3.48Å; S1035-T1038 PolarHBondContact OG-OG1 2.82Å; T1038-S1041 PolarHBondContact O-N 3.07Å; T1038-S1041 PolarHBondContact O-OG 2.74Å
1039	V	60.7	Low	66.8	Low	4 Å²	4	48.1 Å²	48.1	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-69.5	-39.3	178.3	177.9	0	0	0	0	112.1	M1028 A1031 T1032 S1035 S1041 L1042 I1045	M1028-V1039 HydrophobicContact CE-CB 4.32Å; M1028-V1039 HydrophobicContact CE-CG1 3.71Å; M1028-V1039 HydrophobicContact CE-CG2 4.1Å; A1031-V1039 HydrophobicContact CB-CG2 3.66Å; T1032-V1039 HydrophobicContact CG2-CB 4.06Å; T1032-V1039 HydrophobicContact CG2-CG1 3.64Å; T1032-V1039 HydrophobicContact CG2-CG2 4.22Å; S1035-V1039 PolarHBondContact O-N 3.35Å; V1039-S1041 PolarHBondContact O-N 2.96Å; V1039-L1042 PolarHBondContact O-N 3.48Å; V1039-L1042 VanDerWaalsContact O-N 3.14Å; V1039-I1045 HydrophobicContact CG1-CD1 3.7Å; V1039-I1045 HydrophobicContact CG1-CG1 4.19Å
1040	L	61.1	Low	65.5	Low	87 Å²	87	49.9 Å²	49.9	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-32.7	175.5	-75.3	170.7	0	0	0	112.5	S1036 E1037 L1042 G1043	S1036-L1040 WeakPolarHBondContact O-CB 3.33Å; S1036-L1040 WeakPolarHBondContact O-CD1 3.19Å; S1036-L1040 VanDerWaalsContact O-CG 3.23Å; S1036-L1040 WeakPolarHBondContact O-CG 3.39Å; S1036-L1040 PolarHBondContact O-N 2.86Å; S1036-L1040 VanDerWaalsContact O-N 3.1Å; E1037-L1040 PolarHBondContact O-N 2.98Å; L1040-L1042 PolarHBondContact O-N 2.94Å; L1040-G1043 PolarHBondContact O-N 3.33Å
1041	S	50.1	Low	63.9	Low	83 Å²	83	53.2 Å²	53.2	58%	0.58	32%	0.316	S	S	*	.	H	α-helix	trans	-66.6	-22.6	177.5	78.4	0	0	0	0	113.8	E1037 T1038 V1039	E1037-S1041 PolarHBondContact O-N 3.15Å; E1037-S1041 VanDerWaalsContact O-N 3.12Å; T1038-S1041 PolarHBondContact O-N 3.07Å; T1038-S1041 PolarHBondContact O-OG 2.74Å; V1039-S1041 PolarHBondContact O-N 2.96Å
1042	L	55.9	Low	62.2	Low	51 Å²	51	57 Å²	57	27%	0.267	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-12.3	179	-70.1	170.1	0	0	0	113.9	V1000 L1008 M1028 V1039 L1040 V1044	V1000-L1042 HydrophobicContact CB-CD1 4.36Å; V1000-L1042 HydrophobicContact CG1-CD1 3.48Å; V1000-L1042 VanDerWaalsContact CG1-CD1 3.48Å; V1000-L1042 HydrophobicContact CG1-CD2 4.02Å; V1000-L1042 HydrophobicContact CG1-CG 3.87Å; V1000-L1042 HydrophobicContact CG2-CD1 3.91Å; L1008-L1042 HydrophobicContact CB-CD2 4.33Å; L1008-L1042 HydrophobicContact CD1-CD2 3.89Å; L1008-L1042 HydrophobicContact CD2-CD1 4.33Å; L1008-L1042 HydrophobicContact CD2-CD2 4.22Å; L1008-L1042 HydrophobicContact CG-CD2 4.37Å; M1028-L1042 HydrophobicContact CE-CD1 3.58Å; M1028-L1042 HydrophobicContact SD-CD1 4.35Å; V1039-L1042 PolarHBondContact O-N 3.48Å; V1039-L1042 VanDerWaalsContact O-N 3.14Å; L1040-L1042 PolarHBondContact O-N 2.94Å; L1042-V1044 HydrophobicContact CB-CG2 3.81Å; L1042-V1044 PolarHBondContact O-N 3.25Å
1043	G	48.1	Very low	60.7	Low	66 Å²	66	60.5 Å²	60.5	68%	0.68	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	21.9	179.6	0	0	0	0	0	114.9	L1040	L1040-G1043 PolarHBondContact O-N 3.33Å
1044	V	46.6	Very low	58.9	Low	90 Å²	90	64.5 Å²	64.5	55%	0.545	38%	0.383	S	S	.	.			trans	-87.6	-3.6	-172.2	178.6	0	0	0	0	113.2	M1028 L1042	M1028-V1044 HydrophobicContact CE-CB 4.21Å; M1028-V1044 HydrophobicContact CE-CG1 4.36Å; M1028-V1044 HydrophobicContact CE-CG2 4.38Å; L1042-V1044 HydrophobicContact CB-CG2 3.81Å; L1042-V1044 PolarHBondContact O-N 3.25Å
1045	I	37.6	Very low	57	Low	126 Å²	126	66.4 Å²	66.4	65%	0.646	40%	0.399	S	S	*	.			trans	-122	0	179.1	-51.6	179.6	0	0	0	111.9	T1032 V1039	T1032-I1045 HydrophobicContact CG2-CD1 3.21Å; V1039-I1045 HydrophobicContact CG1-CD1 3.7Å; V1039-I1045 HydrophobicContact CG1-CG1 4.19Å

Retrieved 1,045 of 1,045 residues in 1497.7 ms (Link to these results)

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